Daily Papers

Code agents must both reason over long-horizon repository state and obey strict tool-use protocols. In paired Instruct/Thinking checkpoints, these capabilities are complementary but misaligned. The Instruct model is concise and tool-disciplined, whereas the Thinking model offers stronger planning and recovery behavior but often over-deliberates and degrades agent performance. We present CRANE (Constrained Reasoning Injection for Code Agents via Nullspace Editing), a training-free parameter-editing method that treats the Thinking-Instruct delta as a directional pool of candidate reasoning edits for the Instruct backbone. CRANE combines magnitude thresholding to denoise the delta, a Conservative Taylor Gate to retain edits that are jointly beneficial for reasoning transfer and tool-use preservation, and Graduated Sigmoidal Projection to suppress format-critical update directions. By merging paired Instruct and Thinking checkpoints, CRANE delivers strong gains over either individual model while preserving Instruct-level efficiency: on Roo-Eval it achieves pass1 of 66.2% (+19.5%) for Qwen3-30B-A3B and 81.5% (+8.7%) for Qwen3-Next-80B-A3B; on SWE-bench-Verified it resolves up to 14 additional instances at both scales (122/500 and 180/500); and on Terminal-Bench v2 it improves pass1/pass5 by up to 2.3%/7.8%, reaching 7.6%/17.9% and 14.8%/30.3%, respectively, consistently outperforming alternative merging strategies across all three benchmarks.

Gaining insight into how deep convolutional neural network models perform image classification and how to explain their outputs have been a concern to computer vision researchers and decision makers. These deep models are often referred to as black box due to low comprehension of their internal workings. As an effort to developing explainable deep learning models, several methods have been proposed such as finding gradients of class output with respect to input image (sensitivity maps), class activation map (CAM), and Gradient based Class Activation Maps (Grad-CAM). These methods under perform when localizing multiple occurrences of the same class and do not work for all CNNs. In addition, Grad-CAM does not capture the entire object in completeness when used on single object images, this affect performance on recognition tasks. With the intention to create an enhanced visual explanation in terms of visual sharpness, object localization and explaining multiple occurrences of objects in a single image, we present Smooth Grad-CAM++ Simple demo: http://35.238.22.135:5000/, a technique that combines methods from two other recent techniques---SMOOTHGRAD and Grad-CAM++. Our Smooth Grad-CAM++ technique provides the capability of either visualizing a layer, subset of feature maps, or subset of neurons within a feature map at each instance at the inference level (model prediction process). After experimenting with few images, Smooth Grad-CAM++ produced more visually sharp maps with better localization of objects in the given input images when compared with other methods.

In this study, we present Colon-X, an open initiative aimed at advancing multimodal intelligence in colonoscopy. We begin by constructing ColonVQA, the most comprehensive multimodal dataset ever built for colonoscopy, featuring over 1.1M+ visual question answering entries across 76 clinical findings and 18 multimodal tasks. Beyond serving as a community-wide data foundation, we further investigate a critical yet underexplored transition in colonoscopy - evolving from multimodal understanding to clinical reasoning: (a) To capture the current landscape of multimodal understanding behaviors, we systematically assess the generalizability of 22 multimodal large language models and examine their reliability under human-induced perturbations. The results reveal that clinical outputs from leading MLLMs remain far from robust and trustworthy. (b) To narrow this gap, we further explore reasoning-centric intelligence tailored for colonoscopy. Specifically, we curate ColonReason, a clinically grounded reasoning dataset annotated through a multi-expert debating pipeline, and develop ColonR1, the first R1-styled model incorporating task-adaptive rewarding and gradient-stable optimization techniques. Under data-scarce conditions, our ColonR1 achieves 56.61% overall accuracy, outperforming supervised fine-tuning by 25.22%, and sets a new reasoning-enabled baseline for multimodal colonoscopy analysis. All data and model resources are publicly available at https://github.com/ai4colonoscopy/Colon-X.

We propose a new approach for generative modeling based on training a neural network to be idempotent. An idempotent operator is one that can be applied sequentially without changing the result beyond the initial application, namely f(f(z))=f(z). The proposed model f is trained to map a source distribution (e.g, Gaussian noise) to a target distribution (e.g. realistic images) using the following objectives: (1) Instances from the target distribution should map to themselves, namely f(x)=x. We define the target manifold as the set of all instances that f maps to themselves. (2) Instances that form the source distribution should map onto the defined target manifold. This is achieved by optimizing the idempotence term, f(f(z))=f(z) which encourages the range of f(z) to be on the target manifold. Under ideal assumptions such a process provably converges to the target distribution. This strategy results in a model capable of generating an output in one step, maintaining a consistent latent space, while also allowing sequential applications for refinement. Additionally, we find that by processing inputs from both target and source distributions, the model adeptly projects corrupted or modified data back to the target manifold. This work is a first step towards a ``global projector'' that enables projecting any input into a target data distribution.

Purpose: Accurate segmentation of clinical target volumes (CTV) and organs-at-risk is crucial for optimizing gynecologic brachytherapy (GYN-BT) treatment planning. However, anatomical variability, low soft-tissue contrast in CT imaging, and limited annotated datasets pose significant challenges. This study presents GynBTNet, a novel multi-stage learning framework designed to enhance segmentation performance through self-supervised pretraining and hierarchical fine-tuning strategies. Methods: GynBTNet employs a three-stage training strategy: (1) self-supervised pretraining on large-scale CT datasets using sparse submanifold convolution to capture robust anatomical representations, (2) supervised fine-tuning on a comprehensive multi-organ segmentation dataset to refine feature extraction, and (3) task-specific fine-tuning on a dedicated GYN-BT dataset to optimize segmentation performance for clinical applications. The model was evaluated against state-of-the-art methods using the Dice Similarity Coefficient (DSC), 95th percentile Hausdorff Distance (HD95), and Average Surface Distance (ASD). Results: Our GynBTNet achieved superior segmentation performance, significantly outperforming nnU-Net and Swin-UNETR. Notably, it yielded a DSC of 0.837 +/- 0.068 for CTV, 0.940 +/- 0.052 for the bladder, 0.842 +/- 0.070 for the rectum, and 0.871 +/- 0.047 for the uterus, with reduced HD95 and ASD compared to baseline models. Self-supervised pretraining led to consistent performance improvements, particularly for structures with complex boundaries. However, segmentation of the sigmoid colon remained challenging, likely due to anatomical ambiguities and inter-patient variability. Statistical significance analysis confirmed that GynBTNet's improvements were significant compared to baseline models.

Latent diffusion models have become the popular choice for scaling up diffusion models for high resolution image synthesis. Compared to pixel-space models that are trained end-to-end, latent models are perceived to be more efficient and to produce higher image quality at high resolution. Here we challenge these notions, and show that pixel-space models can in fact be very competitive to latent approaches both in quality and efficiency, achieving 1.5 FID on ImageNet512 and new SOTA results on ImageNet128 and ImageNet256. We present a simple recipe for scaling end-to-end pixel-space diffusion models to high resolutions. 1: Use the sigmoid loss (Kingma & Gao, 2023) with our prescribed hyper-parameters. 2: Use our simplified memory-efficient architecture with fewer skip-connections. 3: Scale the model to favor processing the image at high resolution with fewer parameters, rather than using more parameters but at a lower resolution. When combining these three steps with recently proposed tricks like guidance intervals, we obtain a family of pixel-space diffusion models we call Simple Diffusion v2 (SiD2).

Text-to-Image models have introduced a remarkable leap in the evolution of machine learning, demonstrating high-quality synthesis of images from a given text-prompt. However, these powerful pretrained models still lack control handles that can guide spatial properties of the synthesized images. In this work, we introduce a universal approach to guide a pretrained text-to-image diffusion model, with a spatial map from another domain (e.g., sketch) during inference time. Unlike previous works, our method does not require to train a dedicated model or a specialized encoder for the task. Our key idea is to train a Latent Guidance Predictor (LGP) - a small, per-pixel, Multi-Layer Perceptron (MLP) that maps latent features of noisy images to spatial maps, where the deep features are extracted from the core Denoising Diffusion Probabilistic Model (DDPM) network. The LGP is trained only on a few thousand images and constitutes a differential guiding map predictor, over which the loss is computed and propagated back to push the intermediate images to agree with the spatial map. The per-pixel training offers flexibility and locality which allows the technique to perform well on out-of-domain sketches, including free-hand style drawings. We take a particular focus on the sketch-to-image translation task, revealing a robust and expressive way to generate images that follow the guidance of a sketch of arbitrary style or domain. Project page: sketch-guided-diffusion.github.io

Large Language Models (LLMs) have shown remarkable performance across various tasks, but the escalating demands on computational resources pose significant challenges, particularly in the extensive utilization of full fine-tuning for downstream tasks. To address this, parameter-efficient fine-tuning (PEFT) methods have been developed, but they often underperform compared to full fine-tuning and struggle with memory efficiency. In this work, we introduce Gradient Weight-Normalized Low-Rank Projection (GradNormLoRP), a novel approach that enhances both parameter and memory efficiency while maintaining comparable performance to full fine-tuning. GradNormLoRP normalizes the weight matrix to improve gradient conditioning, facilitating better convergence during optimization. Additionally, it applies low-rank approximations to the weight and gradient matrices, significantly reducing memory usage during training. Extensive experiments demonstrate that our 8-bit GradNormLoRP reduces optimizer memory usage by up to 89.5% and enables the pre-training of large LLMs, such as LLaMA 7B, on consumer-level GPUs like the NVIDIA RTX 4090, without additional inference costs. Moreover, GradNormLoRP outperforms existing low-rank methods in fine-tuning tasks. For instance, when fine-tuning the RoBERTa model on all GLUE tasks with a rank of 8, GradNormLoRP achieves an average score of 80.65, surpassing LoRA's score of 79.23. These results underscore GradNormLoRP as a promising alternative for efficient LLM pre-training and fine-tuning. Source code: https://github.com/Jhhuangkay/Gradient-Weight-normalized-Low-rank-Projection-for-Efficient-LLM-Training

A variety of infinitely wide neural architectures (e.g., dense NNs, CNNs, and transformers) induce Gaussian process (GP) priors over their outputs. These relationships provide both an accurate characterization of the prior predictive distribution and enable the use of GP machinery to improve the uncertainty quantification of deep neural networks. In this work, we extend this connection to neural operators (NOs), a class of models designed to learn mappings between function spaces. Specifically, we show conditions for when arbitrary-depth NOs with Gaussian-distributed convolution kernels converge to function-valued GPs. Based on this result, we show how to compute the covariance functions of these NO-GPs for two NO parametrizations, including the popular Fourier neural operator (FNO). With this, we compute the posteriors of these GPs in regression scenarios, including PDE solution operators. This work is an important step towards uncovering the inductive biases of current FNO architectures and opens a path to incorporate novel inductive biases for use in kernel-based operator learning methods.

Physics-informed neural networks (PINNs) offer a mesh-free framework for solving partial differential equations (PDEs), yet training often suffers from gradient pathologies, spectral bias, and poor convergence, especially for problems with strong nonlinearity, sharp gradients, or multiscale features. We propose the Curriculum-Guided Gaussian Mixture Physics-Informed Neural Network (CGMPINN), which integrates Gaussian mixture modeling with dynamic curriculum learning. Specifically, a GMM is periodically fitted to the PDE residual distribution to quantify spatially varying learning difficulty. A smooth curriculum schedule progressively shifts training focus from easy to harder regions, while precision-based variance modulation suppresses unreliable clusters during early optimization. This dual curriculum is governed by a shared curriculum parameter and can be combined with self-adaptive loss balancing. We further establish theoretical guarantees, including sublinear convergence of the gradient norm for the induced time-varying loss, uniform equivalence between the curriculum-weighted and standard PDE losses, and a generalization bound with an explicit weighting-induced bias characterization. Experiments on six benchmark PDEs spanning elliptic, parabolic, hyperbolic, advection-dominated, and nonlinear reaction-diffusion types show that CGMPINN consistently achieves the lowest relative L_2 and maximum absolute errors among all compared methods, reducing relative L_2 error by up to 97.8\% over the standard PINN at comparable cost. Our code is publicly available at https://github.com/Mathematics-Yang/CGMPINN.

Over the last decade, Convolutional Neural Network (CNN) models have been highly successful in solving complex vision problems. However, these deep models are perceived as "black box" methods considering the lack of understanding of their internal functioning. There has been a significant recent interest in developing explainable deep learning models, and this paper is an effort in this direction. Building on a recently proposed method called Grad-CAM, we propose a generalized method called Grad-CAM++ that can provide better visual explanations of CNN model predictions, in terms of better object localization as well as explaining occurrences of multiple object instances in a single image, when compared to state-of-the-art. We provide a mathematical derivation for the proposed method, which uses a weighted combination of the positive partial derivatives of the last convolutional layer feature maps with respect to a specific class score as weights to generate a visual explanation for the corresponding class label. Our extensive experiments and evaluations, both subjective and objective, on standard datasets showed that Grad-CAM++ provides promising human-interpretable visual explanations for a given CNN architecture across multiple tasks including classification, image caption generation and 3D action recognition; as well as in new settings such as knowledge distillation.

Classifier-free guidance (CFG) is crucial for improving both generation quality and alignment between the input condition and final output in diffusion models. While a high guidance scale is generally required to enhance these aspects, it also causes oversaturation and unrealistic artifacts. In this paper, we revisit the CFG update rule and introduce modifications to address this issue. We first decompose the update term in CFG into parallel and orthogonal components with respect to the conditional model prediction and observe that the parallel component primarily causes oversaturation, while the orthogonal component enhances image quality. Accordingly, we propose down-weighting the parallel component to achieve high-quality generations without oversaturation. Additionally, we draw a connection between CFG and gradient ascent and introduce a new rescaling and momentum method for the CFG update rule based on this insight. Our approach, termed adaptive projected guidance (APG), retains the quality-boosting advantages of CFG while enabling the use of higher guidance scales without oversaturation. APG is easy to implement and introduces practically no additional computational overhead to the sampling process. Through extensive experiments, we demonstrate that APG is compatible with various conditional diffusion models and samplers, leading to improved FID, recall, and saturation scores while maintaining precision comparable to CFG, making our method a superior plug-and-play alternative to standard classifier-free guidance.

We propose a technique for producing "visual explanations" for decisions from a large class of CNN-based models, making them more transparent. Our approach - Gradient-weighted Class Activation Mapping (Grad-CAM), uses the gradients of any target concept, flowing into the final convolutional layer to produce a coarse localization map highlighting important regions in the image for predicting the concept. Grad-CAM is applicable to a wide variety of CNN model-families: (1) CNNs with fully-connected layers, (2) CNNs used for structured outputs, (3) CNNs used in tasks with multimodal inputs or reinforcement learning, without any architectural changes or re-training. We combine Grad-CAM with fine-grained visualizations to create a high-resolution class-discriminative visualization and apply it to off-the-shelf image classification, captioning, and visual question answering (VQA) models, including ResNet-based architectures. In the context of image classification models, our visualizations (a) lend insights into their failure modes, (b) are robust to adversarial images, (c) outperform previous methods on localization, (d) are more faithful to the underlying model and (e) help achieve generalization by identifying dataset bias. For captioning and VQA, we show that even non-attention based models can localize inputs. We devise a way to identify important neurons through Grad-CAM and combine it with neuron names to provide textual explanations for model decisions. Finally, we design and conduct human studies to measure if Grad-CAM helps users establish appropriate trust in predictions from models and show that Grad-CAM helps untrained users successfully discern a 'stronger' nodel from a 'weaker' one even when both make identical predictions. Our code is available at https://github.com/ramprs/grad-cam/, along with a demo at http://gradcam.cloudcv.org, and a video at youtu.be/COjUB9Izk6E.

Multi-vector dense retrieval methods like ColBERT systematically use a single-layer linear projection to reduce the dimensionality of individual vectors. In this study, we explore the implications of the MaxSim operator on the gradient flows of the training of multi-vector models and show that such a simple linear projection has inherent, if non-critical, limitations in this setting. We then discuss the theoretical improvements that could result from replacing this single-layer projection with well-studied alternative feedforward linear networks (FFN), such as deeper, non-linear FFN blocks, GLU blocks, and skip-connections, could alleviate these limitations. Through the design and systematic evaluation of alternate projection blocks, we show that better-designed final projections positively impact the downstream performance of ColBERT models. We highlight that many projection variants outperform the original linear projections, with the best-performing variants increasing average performance on a range of retrieval benchmarks across domains by over 2 NDCG@10 points. We then conduct further exploration on the individual parameters of these projections block in order to understand what drives this empirical performance, highlighting the particular importance of upscaled intermediate projections and residual connections. As part of these ablation studies, we show that numerous suboptimal projection variants still outperform the traditional single-layer projection across multiple benchmarks, confirming our hypothesis. Finally, we observe that this effect is consistent across random seeds, further confirming that replacing the linear layer of ColBERT models is a robust, drop-in upgrade.

Early screening via colonoscopy is critical for colon cancer prevention, yet developing robust AI systems for this domain is hindered by the lack of densely annotated, long-sequence video datasets. Existing datasets predominantly focus on single-class polyp detection and lack the rich spatial, temporal, and linguistic annotations required to evaluate modern Multimodal Large Language Models (MLLMs). To address this critical gap, we introduce Colon-Bench, generated via a novel multi-stage agentic workflow. Our pipeline seamlessly integrates temporal proposals, bounding-box tracking, AI-driven visual confirmation, and human-in-the-loop review to scalably annotate full-procedure videos. The resulting verified benchmark is unprecedented in scope, encompassing 528 videos, 14 distinct lesion categories (including polyps, ulcers, and bleeding), over 300,000 bounding boxes, 213,000 segmentation masks, and 133,000 words of clinical descriptions. We utilize Colon-Bench to rigorously evaluate state-of-the-art MLLMs across lesion classification, Open-Vocabulary Video Object Segmentation (OV-VOS), and video Visual Question Answering (VQA). The MLLM results demonstrate surprisingly high localization performance in medical domains compared to SAM-3. Finally, we analyze common VQA errors from MLLMs to introduce a novel "colon-skill" prompting strategy, improving zero-shot MLLM performance by up to 9.7% across most MLLMs. The dataset and the code are available at https://abdullahamdi.com/colon-bench .

Multi-Grid Back-Projection (MGBP) is a fully-convolutional network architecture that can learn to restore images and videos with upscaling artifacts. Using the same strategy of multi-grid partial differential equation (PDE) solvers this multiscale architecture scales computational complexity efficiently with increasing output resolutions. The basic processing block is inspired in the iterative back-projection (IBP) algorithm and constitutes a type of cross-scale residual block with feedback from low resolution references. The architecture performs in par with state-of-the-arts alternatives for regression targets that aim to recover an exact copy of a high resolution image or video from which only a downscale image is known. A perceptual quality target aims to create more realistic outputs by introducing artificial changes that can be different from a high resolution original content as long as they are consistent with the low resolution input. For this target we propose a strategy using noise inputs in different resolution scales to control the amount of artificial details generated in the output. The noise input controls the amount of innovation that the network uses to create artificial realistic details. The effectiveness of this strategy is shown in benchmarks and it is explained as a particular strategy to traverse the perception-distortion plane.

To enable learning on edge devices with fast convergence and low memory, we present a novel backpropagation-free optimization algorithm dubbed Target Projection Stochastic Gradient Descent (tpSGD). tpSGD generalizes direct random target projection to work with arbitrary loss functions and extends target projection for training recurrent neural networks (RNNs) in addition to feedforward networks. tpSGD uses layer-wise stochastic gradient descent (SGD) and local targets generated via random projections of the labels to train the network layer-by-layer with only forward passes. tpSGD doesn't require retaining gradients during optimization, greatly reducing memory allocation compared to SGD backpropagation (BP) methods that require multiple instances of the entire neural network weights, input/output, and intermediate results. Our method performs comparably to BP gradient-descent within 5% accuracy on relatively shallow networks of fully connected layers, convolutional layers, and recurrent layers. tpSGD also outperforms other state-of-the-art gradient-free algorithms in shallow models consisting of multi-layer perceptrons, convolutional neural networks (CNNs), and RNNs with competitive accuracy and less memory and time. We evaluate the performance of tpSGD in training deep neural networks (e.g. VGG) and extend the approach to multi-layer RNNs. These experiments highlight new research directions related to optimized layer-based adaptor training for domain-shift using tpSGD at the edge.

Score-based generative models (SGMs) sample from a target distribution by iteratively transforming noise using the score function of the perturbed target. For any finite training set, this score function can be evaluated in closed form, but the resulting SGM memorizes its training data and does not generate novel samples. In practice, one approximates the score by training a neural network via score-matching. The error in this approximation promotes generalization, but neural SGMs are costly to train and sample, and the effective regularization this error provides is not well-understood theoretically. In this work, we instead explicitly smooth the closed-form score to obtain an SGM that generates novel samples without training. We analyze our model and propose an efficient nearest-neighbor-based estimator of its score function. Using this estimator, our method achieves competitive sampling times while running on consumer-grade CPUs.

Diffusion models are among the most effective methods for image generation. This is in particular because, unlike GANs, they can be easily conditioned during training to produce elements with desired class or properties. However, guiding a pre-trained diffusion model to generate elements from previously unlabeled data is significantly more challenging. One of the possible solutions was given by the ADM-G guiding approach. Although ADM-G successfully generates elements from the given class, there is a significant quality gap compared to a model originally conditioned on this class. In particular, the FID score obtained by the ADM-G-guided diffusion model is nearly three times lower than the class-conditioned guidance. We demonstrate that this issue is partly due to ADM-G providing minimal guidance during the final stage of the denoising process. To address this problem, we propose GeoGuide, a guidance model based on tracing the distance of the diffusion model's trajectory from the data manifold. The main idea of GeoGuide is to produce normalized adjustments during the backward denoising process. As shown in the experiments, GeoGuide surpasses the probabilistic approach ADM-G with respect to both the FID scores and the quality of the generated images.

We study optimization problems on Hadamard manifolds, motivated by recent advances in geometric approaches to optimization on curved spaces, particularly those involving the structure of Busemann functions. We introduce a projection based variant of the proximal point algorithm, termed the Busemann hybrid projection proximal point algorithm, which replaces Euclidean hyperplanes with horospheres defined via convex Busemann functions. The algorithm performs projections in closed form using the gradients of these functions, resulting in a geometrically intrinsic scheme that requires no tangent space linear solves. We allow for inexact subgradient evaluations and prove global convergence under controlled inexactness, with a relative error level strictly below one. We establish a Fejér type descent and sublinear complexity with a rate proportional to the inverse square root of the iteration count, and show that the exact variant coincides with the classical Riemannian proximal point algorithm. The framework clarifies the role of Busemann based subdifferentials in optimization on spaces of nonpositive curvature.

Colonoscopy reconstruction is pivotal for diagnosing colorectal cancer. However, accurate long-sequence colonoscopy reconstruction faces three major challenges: (1) dissimilarity among segments of the colon due to its meandering and convoluted shape; (2) co-existence of simple and intricately folded geometry structures; (3) sparse viewpoints due to constrained camera trajectories. To tackle these challenges, we introduce a new reconstruction framework based on neural radiance field (NeRF), named ColonNeRF, which leverages neural rendering for novel view synthesis of long-sequence colonoscopy. Specifically, to reconstruct the entire colon in a piecewise manner, our ColonNeRF introduces a region division and integration module, effectively reducing shape dissimilarity and ensuring geometric consistency in each segment. To learn both the simple and complex geometry in a unified framework, our ColonNeRF incorporates a multi-level fusion module that progressively models the colon regions from easy to hard. Additionally, to overcome the challenges from sparse views, we devise a DensiNet module for densifying camera poses under the guidance of semantic consistency. We conduct extensive experiments on both synthetic and real-world datasets to evaluate our ColonNeRF. Quantitatively, ColonNeRF exhibits a 67%-85% increase in LPIPS-ALEX scores. Qualitatively, our reconstruction visualizations show much clearer textures and more accurate geometric details. These sufficiently demonstrate our superior performance over the state-of-the-art methods.

A Neural Process (NP) estimates a stochastic process implicitly defined with neural networks given a stream of data, rather than pre-specifying priors already known, such as Gaussian processes. An ideal NP would learn everything from data without any inductive biases, but in practice, we often restrict the class of stochastic processes for the ease of estimation. One such restriction is the use of a finite-dimensional latent variable accounting for the uncertainty in the functions drawn from NPs. Some recent works show that this can be improved with more "data-driven" source of uncertainty such as bootstrapping. In this work, we take a different approach based on the martingale posterior, a recently developed alternative to Bayesian inference. For the martingale posterior, instead of specifying prior-likelihood pairs, a predictive distribution for future data is specified. Under specific conditions on the predictive distribution, it can be shown that the uncertainty in the generated future data actually corresponds to the uncertainty of the implicitly defined Bayesian posteriors. Based on this result, instead of assuming any form of the latent variables, we equip a NP with a predictive distribution implicitly defined with neural networks and use the corresponding martingale posteriors as the source of uncertainty. The resulting model, which we name as Martingale Posterior Neural Process (MPNP), is demonstrated to outperform baselines on various tasks.

Score-based generative modeling, informally referred to as diffusion models, continue to grow in popularity across several important domains and tasks. While they provide high-quality and diverse samples from empirical distributions, important questions remain on the reliability and trustworthiness of these sampling procedures for their responsible use in critical scenarios. Conformal prediction is a modern tool to construct finite-sample, distribution-free uncertainty guarantees for any black-box predictor. In this work, we focus on image-to-image regression tasks and we present a generalization of the Risk-Controlling Prediction Sets (RCPS) procedure, that we term K-RCPS, which allows to (i) provide entrywise calibrated intervals for future samples of any diffusion model, and (ii) control a certain notion of risk with respect to a ground truth image with minimal mean interval length. Differently from existing conformal risk control procedures, ours relies on a novel convex optimization approach that allows for multidimensional risk control while provably minimizing the mean interval length. We illustrate our approach on two real-world image denoising problems: on natural images of faces as well as on computed tomography (CT) scans of the abdomen, demonstrating state of the art performance.

Optimization with matrix gradient orthogonalization has recently demonstrated impressive results in the training of deep neural networks (Jordan et al., 2024; Liu et al., 2025). In this paper, we provide a theoretical analysis of this approach. In particular, we show that the orthogonalized gradient method can be seen as a first-order trust-region optimization method, where the trust-region is defined in terms of the matrix spectral norm. Motivated by this observation, we develop the stochastic non-Euclidean trust-region gradient method with momentum, which recovers the Muon optimizer (Jordan et al., 2024) as a special case, along with normalized SGD and signSGD with momentum (Cutkosky and Mehta, 2020; Sun et al., 2023). In addition, we prove state-of-the-art convergence results for the proposed algorithm in a range of scenarios, which involve arbitrary non-Euclidean norms, constrained and composite problems, and non-convex, star-convex, first- and second-order smooth functions. Finally, our theoretical findings provide an explanation for several practical observations, including the practical superiority of Muon compared to the Orthogonal-SGDM algorithm of Tuddenham et al. (2022) and the importance of weight decay in the training of large-scale language models.

Recent advancements in operator-type neural networks have shown promising results in approximating the solutions of spatiotemporal Partial Differential Equations (PDEs). However, these neural networks often entail considerable training expenses, and may not always achieve the desired accuracy required in many scientific and engineering disciplines. In this paper, we propose a new Spatiotemporal Fourier Neural Operator (SFNO) that learns maps between Bochner spaces, and a new learning framework to address these issues. This new paradigm leverages wisdom from traditional numerical PDE theory and techniques to refine the pipeline of commonly adopted end-to-end neural operator training and evaluations. Specifically, in the learning problems for the turbulent flow modeling by the Navier-Stokes Equations (NSE), the proposed architecture initiates the training with a few epochs for SFNO, concluding with the freezing of most model parameters. Then, the last linear spectral convolution layer is fine-tuned without the frequency truncation. The optimization uses a negative Sobolev norm for the first time as the loss in operator learning, defined through a reliable functional-type a posteriori error estimator whose evaluation is almost exact thanks to the Parseval identity. This design allows the neural operators to effectively tackle low-frequency errors while the relief of the de-aliasing filter addresses high-frequency errors. Numerical experiments on commonly used benchmarks for the 2D NSE demonstrate significant improvements in both computational efficiency and accuracy, compared to end-to-end evaluation and traditional numerical PDE solvers.

In this work, we study an optimizer, Grad-Avg to optimize error functions. We establish the convergence of the sequence of iterates of Grad-Avg mathematically to a minimizer (under boundedness assumption). We apply Grad-Avg along with some of the popular optimizers on regression as well as classification tasks. In regression tasks, it is observed that the behaviour of Grad-Avg is almost identical with Stochastic Gradient Descent (SGD). We present a mathematical justification of this fact. In case of classification tasks, it is observed that the performance of Grad-Avg can be enhanced by suitably scaling the parameters. Experimental results demonstrate that Grad-Avg converges faster than the other state-of-the-art optimizers for the classification task on two benchmark datasets.

We propose a projection pursuit (PP) algorithm based on Gaussian mixture models (GMMs). The negentropy obtained from a multivariate density estimated by GMMs is adopted as the PP index to be maximised. For a fixed dimension of the projection subspace, the GMM-based density estimation is projected onto that subspace, where an approximation of the negentropy for Gaussian mixtures is computed. Then, Genetic Algorithms (GAs) are used to find the optimal, orthogonal projection basis by maximising the former approximation. We show that this semi-parametric approach to PP is flexible and allows highly informative structures to be detected, by projecting multivariate datasets onto a subspace, where the data can be feasibly visualised. The performance of the proposed approach is shown on both artificial and real datasets.

While theoretically appealing, the application of the Wasserstein distance to large-scale machine learning problems has been hampered by its prohibitive computational cost. The sliced Wasserstein distance and its variants improve the computational efficiency through the random projection, yet they suffer from low accuracy if the number of projections is not sufficiently large, because the majority of projections result in trivially small values. In this work, we propose a new family of distance metrics, called augmented sliced Wasserstein distances (ASWDs), constructed by first mapping samples to higher-dimensional hypersurfaces parameterized by neural networks. It is derived from a key observation that (random) linear projections of samples residing on these hypersurfaces would translate to much more flexible nonlinear projections in the original sample space, so they can capture complex structures of the data distribution. We show that the hypersurfaces can be optimized by gradient ascent efficiently. We provide the condition under which the ASWD is a valid metric and show that this can be obtained by an injective neural network architecture. Numerical results demonstrate that the ASWD significantly outperforms other Wasserstein variants for both synthetic and real-world problems.

Automated diagnostic systems (ADS) have shown significant potential in the early detection of polyps during endoscopic examinations, thereby reducing the incidence of colorectal cancer. However, due to high annotation costs and strict privacy concerns, acquiring high-quality endoscopic images poses a considerable challenge in the development of ADS. Despite recent advancements in generating synthetic images for dataset expansion, existing endoscopic image generation algorithms failed to accurately generate the details of polyp boundary regions and typically required medical priors to specify plausible locations and shapes of polyps, which limited the realism and diversity of the generated images. To address these limitations, we present Polyp-Gen, the first full-automatic diffusion-based endoscopic image generation framework. Specifically, we devise a spatial-aware diffusion training scheme with a lesion-guided loss to enhance the structural context of polyp boundary regions. Moreover, to capture medical priors for the localization of potential polyp areas, we introduce a hierarchical retrieval-based sampling strategy to match similar fine-grained spatial features. In this way, our Polyp-Gen can generate realistic and diverse endoscopic images for building reliable ADS. Extensive experiments demonstrate the state-of-the-art generation quality, and the synthetic images can improve the downstream polyp detection task. Additionally, our Polyp-Gen has shown remarkable zero-shot generalizability on other datasets. The source code is available at https://github.com/CUHK-AIM-Group/Polyp-Gen.

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.

Training-free guided sampling in diffusion models leverages off-the-shelf pre-trained networks, such as an aesthetic evaluation model, to guide the generation process. Current training-free guided sampling algorithms obtain the guidance energy function based on a one-step estimate of the clean image. However, since the off-the-shelf pre-trained networks are trained on clean images, the one-step estimation procedure of the clean image may be inaccurate, especially in the early stages of the generation process in diffusion models. This causes the guidance in the early time steps to be inaccurate. To overcome this problem, we propose Symplectic Adjoint Guidance (SAG), which calculates the gradient guidance in two inner stages. Firstly, SAG estimates the clean image via n function calls, where n serves as a flexible hyperparameter that can be tailored to meet specific image quality requirements. Secondly, SAG uses the symplectic adjoint method to obtain the gradients accurately and efficiently in terms of the memory requirements. Extensive experiments demonstrate that SAG generates images with higher qualities compared to the baselines in both guided image and video generation tasks.

Recent advances in Multimodal Large Language Models (MLLMs) have achieved remarkable progress in general domains and demonstrated promise in multimodal mathematical reasoning. However, applying MLLMs to geometry problem solving (GPS) remains challenging due to lack of accurate step-by-step solution data and severe hallucinations during reasoning. In this paper, we propose GeoGen, a pipeline that can automatically generates step-wise reasoning paths for geometry diagrams. By leveraging the precise symbolic reasoning, GeoGen produces large-scale, high-quality question-answer pairs. To further enhance the logical reasoning ability of MLLMs, we train GeoLogic, a Large Language Model (LLM) using synthetic data generated by GeoGen. Serving as a bridge between natural language and symbolic systems, GeoLogic enables symbolic tools to help verifying MLLM outputs, making the reasoning process more rigorous and alleviating hallucinations. Experimental results show that our approach consistently improves the performance of MLLMs, achieving remarkable results on benchmarks for geometric reasoning tasks. This improvement stems from our integration of the strengths of LLMs and symbolic systems, which enables a more reliable and interpretable approach for the GPS task. Codes are available at https://github.com/ycpNotFound/GeoGen.

Clinicians trace cephalometric radiographs following a structured anatomical workflow, yet no prior system encodes this into computation. We present a five-phase anatomy-guided pipeline producing confidence-weighted spatial priors that shape HRNet-W32 training, achieving 1.04 mm mean radial error on 25 landmarks across 1,502 radiographs from 7+ imaging devices. A training x inference prior matrix isolates the mechanism: anatomical priors maintain a 1% validation-to-test gap versus 88% without priors (1.94 mm), despite identical validation convergence. The matrix establishes that all trained models are inference-independent, the expanded architecture alone provides no benefit, random priors yield partial but unstable improvement (1.72 mm), and only image-specific anatomically correct priors produce the 1.04 mm result -- functioning as a training-time regularizer requiring no automated prior generation at deployment. Five-fold cross-validation (p=0.0015), patient-level permutation testing (p<0.0001, n=151), quantified Grad-CAM analysis (88% vs. 74% in-zone activation, p<0.001), and clinical measurement validation (skeletal classification kappa=0.79-0.84, zero Class II<->III reversals, ICC>0.95) provide converging evidence. Cross-domain experiments on echocardiography, cervical spine, and hand radiography support the hypothesis that prior effectiveness scales with the spatial entropy of the landmark distribution.

We introduce Post-Optimization Model Edit (POME), a new algorithm that enhances the performance of fine-tuned large language models using only their pretrained and fine-tuned checkpoints, without requiring extra data or further optimization. The core idea is to apply a muon-style projection to ΔW, the difference between the fine-tuned and pretrained weights. This projection uses truncated singular value decomposition (SVD) to equalize the influence of dominant update directions and prune small singular values, which often represent noise. As a simple post-processing step, POME is completely decoupled from the training pipeline. It requires zero modifications and imposes no overhead, making it universally compatible with any optimizer or distributed framework. POME delivers consistent gains, boosting average performance by +2.5\% on GSM8K and +1.0\% on code generation. Its broad applicability -- from 7B foundation models to 72B RLHF-instructed models -- establishes it as a practical, zero-cost enhancement for any fine-tuning pipeline. Code is available at https://github.com/NUS-HPC-AI-Lab/POME.

We consider the problem of estimating (diagonally dominant) M-matrices as precision matrices in Gaussian graphical models. These models exhibit intriguing properties, such as the existence of the maximum likelihood estimator with merely two observations for M-matrices lauritzen2019maximum,slawski2015estimation and even one observation for diagonally dominant M-matrices truell2021maximum. We propose an adaptive multiple-stage estimation method that refines the estimate by solving a weighted ell_1-regularized problem at each stage. Furthermore, we develop a unified framework based on the gradient projection method to solve the regularized problem, incorporating distinct projections to handle the constraints of M-matrices and diagonally dominant M-matrices. A theoretical analysis of the estimation error is provided. Our method outperforms state-of-the-art methods in precision matrix estimation and graph edge identification, as evidenced by synthetic and financial time-series data sets.

While diffusion models have made remarkable progress in image generation, their outputs can still appear unrealistic and lack fine details, especially when using fewer number of neural function evaluations (NFEs) or lower guidance scales. To address this issue, we propose a novel momentum-based sampling technique, termed history-guided sampling (HiGS), which enhances quality and efficiency of diffusion sampling by integrating recent model predictions into each inference step. Specifically, HiGS leverages the difference between the current prediction and a weighted average of past predictions to steer the sampling process toward more realistic outputs with better details and structure. Our approach introduces practically no additional computation and integrates seamlessly into existing diffusion frameworks, requiring neither extra training nor fine-tuning. Extensive experiments show that HiGS consistently improves image quality across diverse models and architectures and under varying sampling budgets and guidance scales. Moreover, using a pretrained SiT model, HiGS achieves a new state-of-the-art FID of 1.61 for unguided ImageNet generation at 256times256 with only 30 sampling steps (instead of the standard 250). We thus present HiGS as a plug-and-play enhancement to standard diffusion sampling that enables faster generation with higher fidelity.

To have a better understanding and usage of Convolution Neural Networks (CNNs), the visualization and interpretation of CNNs has attracted increasing attention in recent years. In particular, several Class Activation Mapping (CAM) methods have been proposed to discover the connection between CNN's decision and image regions. In spite of the reasonable visualization, lack of clear and sufficient theoretical support is the main limitation of these methods. In this paper, we introduce two axioms -- Conservation and Sensitivity -- to the visualization paradigm of the CAM methods. Meanwhile, a dedicated Axiom-based Grad-CAM (XGrad-CAM) is proposed to satisfy these axioms as much as possible. Experiments demonstrate that XGrad-CAM is an enhanced version of Grad-CAM in terms of conservation and sensitivity. It is able to achieve better visualization performance than Grad-CAM, while also be class-discriminative and easy-to-implement compared with Grad-CAM++ and Ablation-CAM. The code is available at https://github.com/Fu0511/XGrad-CAM.

Training neural networks requires optimizing a loss function that may be highly irregular, and in particular neither convex nor smooth. Popular training algorithms are based on stochastic gradient descent with momentum (SGDM), for which classical analysis applies only if the loss is either convex or smooth. We show that a very small modification to SGDM closes this gap: simply scale the update at each time point by an exponentially distributed random scalar. The resulting algorithm achieves optimal convergence guarantees. Intriguingly, this result is not derived by a specific analysis of SGDM: instead, it falls naturally out of a more general framework for converting online convex optimization algorithms to non-convex optimization algorithms.

Disease progression simulation is a crucial area of research that has significant implications for clinical diagnosis, prognosis, and treatment. One major challenge in this field is the lack of continuous medical imaging monitoring of individual patients over time. To address this issue, we develop a novel framework termed Progressive Image Editing (PIE) that enables controlled manipulation of disease-related image features, facilitating precise and realistic disease progression simulation. Specifically, we leverage recent advancements in text-to-image generative models to simulate disease progression accurately and personalize it for each patient. We theoretically analyze the iterative refining process in our framework as a gradient descent with an exponentially decayed learning rate. To validate our framework, we conduct experiments in three medical imaging domains. Our results demonstrate the superiority of PIE over existing methods such as Stable Diffusion Walk and Style-Based Manifold Extrapolation based on CLIP score (Realism) and Disease Classification Confidence (Alignment). Our user study collected feedback from 35 veteran physicians to assess the generated progressions. Remarkably, 76.2% of the feedback agrees with the fidelity of the generated progressions. To our best knowledge, PIE is the first of its kind to generate disease progression images meeting real-world standards. It is a promising tool for medical research and clinical practice, potentially allowing healthcare providers to model disease trajectories over time, predict future treatment responses, and improve patient outcomes.

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}.

Text-conditional diffusion models are able to generate high-fidelity images with diverse contents. However, linguistic representations frequently exhibit ambiguous descriptions of the envisioned objective imagery, requiring the incorporation of additional control signals to bolster the efficacy of text-guided diffusion models. In this work, we propose Cocktail, a pipeline to mix various modalities into one embedding, amalgamated with a generalized ControlNet (gControlNet), a controllable normalisation (ControlNorm), and a spatial guidance sampling method, to actualize multi-modal and spatially-refined control for text-conditional diffusion models. Specifically, we introduce a hyper-network gControlNet, dedicated to the alignment and infusion of the control signals from disparate modalities into the pre-trained diffusion model. gControlNet is capable of accepting flexible modality signals, encompassing the simultaneous reception of any combination of modality signals, or the supplementary fusion of multiple modality signals. The control signals are then fused and injected into the backbone model according to our proposed ControlNorm. Furthermore, our advanced spatial guidance sampling methodology proficiently incorporates the control signal into the designated region, thereby circumventing the manifestation of undesired objects within the generated image. We demonstrate the results of our method in controlling various modalities, proving high-quality synthesis and fidelity to multiple external signals.

We consider a family of algorithms that successively sample and minimize simple stochastic models of the objective function. We show that under reasonable conditions on approximation quality and regularity of the models, any such algorithm drives a natural stationarity measure to zero at the rate O(k^{-1/4}). As a consequence, we obtain the first complexity guarantees for the stochastic proximal point, proximal subgradient, and regularized Gauss-Newton methods for minimizing compositions of convex functions with smooth maps. The guiding principle, underlying the complexity guarantees, is that all algorithms under consideration can be interpreted as approximate descent methods on an implicit smoothing of the problem, given by the Moreau envelope. Specializing to classical circumstances, we obtain the long-sought convergence rate of the stochastic projected gradient method, without batching, for minimizing a smooth function on a closed convex set.

Stochastic neurons and hard non-linearities can be useful for a number of reasons in deep learning models, but in many cases they pose a challenging problem: how to estimate the gradient of a loss function with respect to the input of such stochastic or non-smooth neurons? I.e., can we "back-propagate" through these stochastic neurons? We examine this question, existing approaches, and compare four families of solutions, applicable in different settings. One of them is the minimum variance unbiased gradient estimator for stochatic binary neurons (a special case of the REINFORCE algorithm). A second approach, introduced here, decomposes the operation of a binary stochastic neuron into a stochastic binary part and a smooth differentiable part, which approximates the expected effect of the pure stochatic binary neuron to first order. A third approach involves the injection of additive or multiplicative noise in a computational graph that is otherwise differentiable. A fourth approach heuristically copies the gradient with respect to the stochastic output directly as an estimator of the gradient with respect to the sigmoid argument (we call this the straight-through estimator). To explore a context where these estimators are useful, we consider a small-scale version of {\em conditional computation}, where sparse stochastic units form a distributed representation of gaters that can turn off in combinatorially many ways large chunks of the computation performed in the rest of the neural network. In this case, it is important that the gating units produce an actual 0 most of the time. The resulting sparsity can be potentially be exploited to greatly reduce the computational cost of large deep networks for which conditional computation would be useful.

The ability to control for the kinds of information encoded in neural representation has a variety of use cases, especially in light of the challenge of interpreting these models. We present Iterative Null-space Projection (INLP), a novel method for removing information from neural representations. Our method is based on repeated training of linear classifiers that predict a certain property we aim to remove, followed by projection of the representations on their null-space. By doing so, the classifiers become oblivious to that target property, making it hard to linearly separate the data according to it. While applicable for multiple uses, we evaluate our method on bias and fairness use-cases, and show that our method is able to mitigate bias in word embeddings, as well as to increase fairness in a setting of multi-class classification.

Prevailing Multimodal Large Language Models (MLLMs) encode the input image(s) as vision tokens and feed them into the language backbone, similar to how Large Language Models (LLMs) process the text tokens. However, the number of vision tokens increases quadratically as the image resolutions, leading to huge computational costs. In this paper, we consider improving MLLM's efficiency from two scenarios, (I) Reducing computational cost without degrading the performance. (II) Improving the performance with given budgets. We start with our main finding that the ranking of each vision token sorted by attention scores is similar in each layer except the first layer. Based on it, we assume that the number of essential top vision tokens does not increase along layers. Accordingly, for Scenario I, we propose a greedy search algorithm (G-Search) to find the least number of vision tokens to keep at each layer from the shallow to the deep. Interestingly, G-Search is able to reach the optimal reduction strategy based on our assumption. For Scenario II, based on the reduction strategy from G-Search, we design a parametric sigmoid function (P-Sigmoid) to guide the reduction at each layer of the MLLM, whose parameters are optimized by Bayesian Optimization. Extensive experiments demonstrate that our approach can significantly accelerate those popular MLLMs, e.g. LLaVA, and InternVL2 models, by more than 2 times without performance drops. Our approach also far outperforms other token reduction methods when budgets are limited, achieving a better trade-off between efficiency and effectiveness.

Given the growing need for automatic 3D content creation pipelines, various 3D representations have been studied to generate 3D objects from a single image. Due to its superior rendering efficiency, 3D Gaussian splatting-based models have recently excelled in both 3D reconstruction and generation. 3D Gaussian splatting approaches for image to 3D generation are often optimization-based, requiring many computationally expensive score-distillation steps. To overcome these challenges, we introduce an Amortized Generative 3D Gaussian framework (AGG) that instantly produces 3D Gaussians from a single image, eliminating the need for per-instance optimization. Utilizing an intermediate hybrid representation, AGG decomposes the generation of 3D Gaussian locations and other appearance attributes for joint optimization. Moreover, we propose a cascaded pipeline that first generates a coarse representation of the 3D data and later upsamples it with a 3D Gaussian super-resolution module. Our method is evaluated against existing optimization-based 3D Gaussian frameworks and sampling-based pipelines utilizing other 3D representations, where AGG showcases competitive generation abilities both qualitatively and quantitatively while being several orders of magnitude faster. Project page: https://ir1d.github.io/AGG/

Recent advances in generative vision-language models (VLMs) have exciting potential implications for AI in radiology, yet VLMs are also known to produce hallucinations, nonsensical text, and other unwanted behaviors that can waste clinicians' time and cause patient harm. Drawing on recent work on direct preference optimization (DPO), we propose a simple method for modifying the behavior of pretrained VLMs performing radiology report generation by suppressing unwanted types of generations. We apply our method to the prevention of hallucinations of prior exams, addressing a long-established problem behavior in models performing chest X-ray report generation. Across our experiments, we find that DPO fine-tuning achieves a 3.2-4.8x reduction in lines hallucinating prior exams while maintaining model performance on clinical accuracy metrics. Our work is, to the best of our knowledge, the first work to apply DPO to medical VLMs, providing a data- and compute- efficient way to suppress problem behaviors while maintaining overall clinical accuracy.

We introduce a new family of physics-inspired generative models termed PFGM++ that unifies diffusion models and Poisson Flow Generative Models (PFGM). These models realize generative trajectories for N dimensional data by embedding paths in N{+}D dimensional space while still controlling the progression with a simple scalar norm of the D additional variables. The new models reduce to PFGM when D{=}1 and to diffusion models when D{to}infty. The flexibility of choosing D allows us to trade off robustness against rigidity as increasing D results in more concentrated coupling between the data and the additional variable norms. We dispense with the biased large batch field targets used in PFGM and instead provide an unbiased perturbation-based objective similar to diffusion models. To explore different choices of D, we provide a direct alignment method for transferring well-tuned hyperparameters from diffusion models (D{to} infty) to any finite D values. Our experiments show that models with finite D can be superior to previous state-of-the-art diffusion models on CIFAR-10/FFHQ 64{times}64 datasets, with FID scores of 1.91/2.43 when D{=}2048/128. In class-conditional setting, D{=}2048 yields current state-of-the-art FID of 1.74 on CIFAR-10. In addition, we demonstrate that models with smaller D exhibit improved robustness against modeling errors. Code is available at https://github.com/Newbeeer/pfgmpp

Coarse-guided visual generation, which synthesizes fine visual samples from degraded or low-fidelity coarse references, is essential for various real-world applications. While training-based approaches are effective, they are inherently limited by high training costs and restricted generalization due to paired data collection. Accordingly, recent training-free works propose to leverage pretrained diffusion models and incorporate guidance during the sampling process. However, these training-free methods either require knowing the forward (fine-to-coarse) transformation operator, e.g., bicubic downsampling, or are difficult to balance between guidance and synthetic quality. To address these challenges, we propose a novel guided method by using the h-transform, a tool that can constrain stochastic processes (e.g., sampling process) under desired conditions. Specifically, we modify the transition probability at each sampling timestep by adding to the original differential equation with a drift function, which approximately steers the generation toward the ideal fine sample. To address unavoidable approximation errors, we introduce a noise-level-aware schedule that gradually de-weights the term as the error increases, ensuring both guidance adherence and high-quality synthesis. Extensive experiments across diverse image and video generation tasks demonstrate the effectiveness and generalization of our method.

In this work, we propose a novel Trajectory Score Matching (TSM) method that aims to solve the pseudo ground truth inconsistency problem caused by the accumulated error in Interval Score Matching (ISM) when using the Denoising Diffusion Implicit Models (DDIM) inversion process. Unlike ISM which adopts the inversion process of DDIM to calculate on a single path, our TSM method leverages the inversion process of DDIM to generate two paths from the same starting point for calculation. Since both paths start from the same starting point, TSM can reduce the accumulated error compared to ISM, thus alleviating the problem of pseudo ground truth inconsistency. TSM enhances the stability and consistency of the model's generated paths during the distillation process. We demonstrate this experimentally and further show that ISM is a special case of TSM. Furthermore, to optimize the current multi-stage optimization process from high-resolution text to 3D generation, we adopt Stable Diffusion XL for guidance. In response to the issues of abnormal replication and splitting caused by unstable gradients during the 3D Gaussian splatting process when using Stable Diffusion XL, we propose a pixel-by-pixel gradient clipping method. Extensive experiments show that our model significantly surpasses the state-of-the-art models in terms of visual quality and performance. Code: https://github.com/xingy038/Dreamer-XL.

Explainable Deep Learning has gained significant attention in the field of artificial intelligence (AI), particularly in domains such as medical imaging, where accurate and interpretable machine learning models are crucial for effective diagnosis and treatment planning. Grad-CAM is a baseline that highlights the most critical regions of an image used in a deep learning model's decision-making process, increasing interpretability and trust in the results. It is applied in many computer vision (CV) tasks such as classification and explanation. This study explores the principles of Explainable Deep Learning and its relevance to medical imaging, discusses various explainability techniques and their limitations, and examines medical imaging applications of Grad-CAM. The findings highlight the potential of Explainable Deep Learning and Grad-CAM in improving the accuracy and interpretability of deep learning models in medical imaging. The code is available in (will be available).

Adversarial robustness is essential for security and reliability of machine learning systems. However, adversarial robustness enhanced by defense algorithms is easily erased as the neural network's weights update to learn new tasks. To address this vulnerability, it is essential to improve the capability of neural networks in terms of robust continual learning. Specially, we propose a novel gradient projection technique that effectively stabilizes sample gradients from previous data by orthogonally projecting back-propagation gradients onto a crucial subspace before using them for weight updates. This technique can maintaining robustness by collaborating with a class of defense algorithms through sample gradient smoothing. The experimental results on four benchmarks including Split-CIFAR100 and Split-miniImageNet, demonstrate that the superiority of the proposed approach in mitigating rapidly degradation of robustness during continual learning even when facing strong adversarial attacks.

Class-incremental learning (CIL) is a particularly challenging variant of continual learning, where the goal is to learn to discriminate between all classes presented in an incremental fashion. Existing approaches often suffer from excessive forgetting and imbalance of the scores assigned to classes that have not been seen together during training. In this study, we introduce a novel approach, Prediction Error-based Classification (PEC), which differs from traditional discriminative and generative classification paradigms. PEC computes a class score by measuring the prediction error of a model trained to replicate the outputs of a frozen random neural network on data from that class. The method can be interpreted as approximating a classification rule based on Gaussian Process posterior variance. PEC offers several practical advantages, including sample efficiency, ease of tuning, and effectiveness even when data are presented one class at a time. Our empirical results show that PEC performs strongly in single-pass-through-data CIL, outperforming other rehearsal-free baselines in all cases and rehearsal-based methods with moderate replay buffer size in most cases across multiple benchmarks.

Endoscopic procedures are essential for diagnosing and treating internal diseases, and multi-modal large language models (MLLMs) are increasingly applied to assist in endoscopy analysis. However, current benchmarks are limited, as they typically cover specific endoscopic scenarios and a small set of clinical tasks, failing to capture the real-world diversity of endoscopic scenarios and the full range of skills needed in clinical workflows. To address these issues, we introduce EndoBench, the first comprehensive benchmark specifically designed to assess MLLMs across the full spectrum of endoscopic practice with multi-dimensional capacities. EndoBench encompasses 4 distinct endoscopic scenarios, 12 specialized clinical tasks with 12 secondary subtasks, and 5 levels of visual prompting granularities, resulting in 6,832 rigorously validated VQA pairs from 21 diverse datasets. Our multi-dimensional evaluation framework mirrors the clinical workflow--spanning anatomical recognition, lesion analysis, spatial localization, and surgical operations--to holistically gauge the perceptual and diagnostic abilities of MLLMs in realistic scenarios. We benchmark 23 state-of-the-art models, including general-purpose, medical-specialized, and proprietary MLLMs, and establish human clinician performance as a reference standard. Our extensive experiments reveal: (1) proprietary MLLMs outperform open-source and medical-specialized models overall, but still trail human experts; (2) medical-domain supervised fine-tuning substantially boosts task-specific accuracy; and (3) model performance remains sensitive to prompt format and clinical task complexity. EndoBench establishes a new standard for evaluating and advancing MLLMs in endoscopy, highlighting both progress and persistent gaps between current models and expert clinical reasoning. We publicly release our benchmark and code.

Discrete diffusion models have emerged as a powerful generative modeling framework for discrete data with successful applications spanning from text generation to image synthesis. However, their deployment faces challenges due to the high dimensionality of the state space, necessitating the development of efficient inference algorithms. Current inference approaches mainly fall into two categories: exact simulation and approximate methods such as tau-leaping. While exact methods suffer from unpredictable inference time and redundant function evaluations, tau-leaping is limited by its first-order accuracy. In this work, we advance the latter category by tailoring the first extension of high-order numerical inference schemes to discrete diffusion models, enabling larger step sizes while reducing error. We rigorously analyze the proposed schemes and establish the second-order accuracy of the theta-trapezoidal method in KL divergence. Empirical evaluations on GPT-2 level text and ImageNet-level image generation tasks demonstrate that our method achieves superior sample quality compared to existing approaches under equivalent computational constraints.

Leading vision-language models (VLMs) are trained on general Internet content, overlooking scientific journals' rich, domain-specific knowledge. Training on specialty-specific literature could yield high-performance, task-specific tools, enabling generative AI to match generalist models in specialty publishing, educational, and clinical tasks. We created NeuroPubs, a multimodal dataset of 23,000 Neurosurgery Publications articles (134M words, 78K image-caption pairs). Using NeuroPubs, VLMs generated publication-ready graphical abstracts (70% of 100 abstracts) and board-style questions indistinguishable from human-written ones (54% of 89,587 questions). We used these questions to train CNS-Obsidian, a 34B-parameter VLM. In a blinded, randomized controlled trial, our model demonstrated non-inferiority to then state-of-the-art GPT-4o in neurosurgical differential diagnosis (clinical utility, 40.62% upvotes vs. 57.89%, p=0.1150; accuracy, 59.38% vs. 65.79%, p=0.3797). Our pilot study demonstrates how training generative AI models on specialty-specific journal content - without large-scale internet data - results in high-performance academic and clinical tools, enabling domain-tailored AI across diverse fields.

Multimodal Large Language Models (MLLMs) increasingly need to forget specific knowledge such as unsafe or private information without requiring full retraining. However, existing unlearning methods often disrupt vision language alignment, causing models to reject both harmful and benign queries. We trace this failure to the projector network during unlearning, its Jacobian becomes severely illconditioned, leading to unstable optimization and drift in cross modal embeddings. We introduce SineProject, a simple method that augments the frozen projector with sinusoidally modulated trainable parameters, improving the Jacobian's spectral conditioning and stabilizing alignment throughout unlearning. Across standard safety and privacy unlearning benchmarks using LLaVA v1.5 7B and 13B, SineProject reduces benign query refusals while achieving complete forgetting of targeted information, yielding state of the art forget retain trade offs with negligible computational overhead.

We develop a method to generate predictive regions that cover a multivariate response variable with a user-specified probability. Our work is composed of two components. First, we use a deep generative model to learn a representation of the response that has a unimodal distribution. Existing multiple-output quantile regression approaches are effective in such cases, so we apply them on the learned representation, and then transform the solution to the original space of the response. This process results in a flexible and informative region that can have an arbitrary shape, a property that existing methods lack. Second, we propose an extension of conformal prediction to the multivariate response setting that modifies any method to return sets with a pre-specified coverage level. The desired coverage is theoretically guaranteed in the finite-sample case for any distribution. Experiments conducted on both real and synthetic data show that our method constructs regions that are significantly smaller compared to existing techniques.

Conventional Computed Tomography (CT) methods require large numbers of noise-free projections for accurate density reconstructions, limiting their applicability to the more complex class of Cone Beam Geometry CT (CBCT) reconstruction. Recently, deep learning methods have been proposed to overcome these limitations, with methods based on neural fields (NF) showing strong performance, by approximating the reconstructed density through a continuous-in-space coordinate based neural network. Our focus is on improving such methods, however, unlike previous work, which requires training an NF from scratch for each new set of projections, we instead propose to leverage anatomical consistencies over different scans by training a single conditional NF on a dataset of projections. We propose a novel conditioning method where local modulations are modeled per patient as a field over the input domain through a Neural Modulation Field (NMF). The resulting Conditional Cone Beam Neural Tomography (CondCBNT) shows improved performance for both high and low numbers of available projections on noise-free and noisy data.

Max sliced Wasserstein (Max-SW) distance has been widely known as a solution for less discriminative projections of sliced Wasserstein (SW) distance. In applications that have various independent pairs of probability measures, amortized projection optimization is utilized to predict the ``max" projecting directions given two input measures instead of using projected gradient ascent multiple times. Despite being efficient, Max-SW and its amortized version cannot guarantee metricity property due to the sub-optimality of the projected gradient ascent and the amortization gap. Therefore, we propose to replace Max-SW with distributional sliced Wasserstein distance with von Mises-Fisher (vMF) projecting distribution (v-DSW). Since v-DSW is a metric with any non-degenerate vMF distribution, its amortized version can guarantee the metricity when performing amortization. Furthermore, current amortized models are not permutation invariant and symmetric. To address the issue, we design amortized models based on self-attention architecture. In particular, we adopt efficient self-attention architectures to make the computation linear in the number of supports. With the two improvements, we derive self-attention amortized distributional projection optimization and show its appealing performance in point-cloud reconstruction and its downstream applications.

Motivated by a wide variety of applications, ranging from stochastic optimization to dimension reduction through variable selection, the problem of estimating gradients accurately is of crucial importance in statistics and learning theory. We consider here the classic regression setup, where a real valued square integrable r.v. Y is to be predicted upon observing a (possibly high dimensional) random vector X by means of a predictive function f(X) as accurately as possible in the mean-squared sense and study a nearest-neighbour-based pointwise estimate of the gradient of the optimal predictive function, the regression function m(x)=E[Ymid X=x]. Under classic smoothness conditions combined with the assumption that the tails of Y-m(X) are sub-Gaussian, we prove nonasymptotic bounds improving upon those obtained for alternative estimation methods. Beyond the novel theoretical results established, several illustrative numerical experiments have been carried out. The latter provide strong empirical evidence that the estimation method proposed works very well for various statistical problems involving gradient estimation, namely dimensionality reduction, stochastic gradient descent optimization and quantifying disentanglement.

Continual learning aims to avoid catastrophic forgetting and effectively leverage learned experiences to master new knowledge. Existing gradient projection approaches impose hard constraints on the optimization space for new tasks to minimize interference, which simultaneously hinders forward knowledge transfer. To address this issue, recent methods reuse frozen parameters with a growing network, resulting in high computational costs. Thus, it remains a challenge whether we can improve forward knowledge transfer for gradient projection approaches using a fixed network architecture. In this work, we propose the Restricted Orthogonal Gradient prOjection (ROGO) framework. The basic idea is to adopt a restricted orthogonal constraint allowing parameters optimized in the direction oblique to the whole frozen space to facilitate forward knowledge transfer while consolidating previous knowledge. Our framework requires neither data buffers nor extra parameters. Extensive experiments have demonstrated the superiority of our framework over several strong baselines. We also provide theoretical guarantees for our relaxing strategy.

X-ray is widely applied for transmission imaging due to its stronger penetration than natural light. When rendering novel view X-ray projections, existing methods mainly based on NeRF suffer from long training time and slow inference speed. In this paper, we propose a 3D Gaussian splatting-based framework, namely X-Gaussian, for X-ray novel view synthesis. Firstly, we redesign a radiative Gaussian point cloud model inspired by the isotropic nature of X-ray imaging. Our model excludes the influence of view direction when learning to predict the radiation intensity of 3D points. Based on this model, we develop a Differentiable Radiative Rasterization (DRR) with CUDA implementation. Secondly, we customize an Angle-pose Cuboid Uniform Initialization (ACUI) strategy that directly uses the parameters of the X-ray scanner to compute the camera information and then uniformly samples point positions within a cuboid enclosing the scanned object. Experiments show that our X-Gaussian outperforms state-of-the-art methods by 6.5 dB while enjoying less than 15% training time and over 73x inference speed. The application on sparse-view CT reconstruction also reveals the practical values of our method. Code and models will be publicly available at https://github.com/caiyuanhao1998/X-Gaussian . A video demo of the training process visualization is at https://www.youtube.com/watch?v=gDVf_Ngeghg .

We present EGN, a stochastic second-order optimization algorithm that combines the generalized Gauss-Newton (GN) Hessian approximation with low-rank linear algebra to compute the descent direction. Leveraging the Duncan-Guttman matrix identity, the parameter update is obtained by factorizing a matrix which has the size of the mini-batch. This is particularly advantageous for large-scale machine learning problems where the dimension of the neural network parameter vector is several orders of magnitude larger than the batch size. Additionally, we show how improvements such as line search, adaptive regularization, and momentum can be seamlessly added to EGN to further accelerate the algorithm. Moreover, under mild assumptions, we prove that our algorithm converges to an epsilon-stationary point at a linear rate. Finally, our numerical experiments demonstrate that EGN consistently exceeds, or at most matches the generalization performance of well-tuned SGD, Adam, and SGN optimizers across various supervised and reinforcement learning tasks.

Generative Models (GMs) have attracted considerable attention due to their tremendous success in various domains, such as computer vision where they are capable to generate impressive realistic-looking images. Likelihood-based GMs are attractive due to the possibility to generate new data by a single model evaluation. However, they typically achieve lower sample quality compared to state-of-the-art score-based diffusion models (DMs). This paper provides a significant step in the direction of addressing this limitation. The idea is to borrow one of the strengths of score-based DMs, which is the ability to perform accurate density estimation in low-density regions and to address manifold overfitting by means of data mollification. We connect data mollification through the addition of Gaussian noise to Gaussian homotopy, which is a well-known technique to improve optimization. Data mollification can be implemented by adding one line of code in the optimization loop, and we demonstrate that this provides a boost in generation quality of likelihood-based GMs, without computational overheads. We report results on image data sets with popular likelihood-based GMs, including variants of variational autoencoders and normalizing flows, showing large improvements in FID score.

Gastrointestinal malignancies constitute a leading cause of cancer-related mortality worldwide, with advanced-stage prognosis remaining particularly dismal. Originating as a groundbreaking technique for early gastric cancer treatment, Endoscopic Submucosal Dissection has evolved into a versatile intervention for diverse gastrointestinal lesions. While computer-assisted systems significantly enhance procedural precision and safety in ESD, their clinical adoption faces a critical bottleneck: reliable surgical phase recognition within complex endoscopic workflows. Current state-of-the-art approaches predominantly rely on multi-stage refinement architectures that iteratively optimize temporal predictions. In this paper, we present Clinical Prior Knowledge-Constrained Diffusion (CPKD), a novel generative framework that reimagines phase recognition through denoising diffusion principles while preserving the core iterative refinement philosophy. This architecture progressively reconstructs phase sequences starting from random noise and conditioned on visual-temporal features. To better capture three domain-specific characteristics, including positional priors, boundary ambiguity, and relation dependency, we design a conditional masking strategy. Furthermore, we incorporate clinical prior knowledge into the model training to improve its ability to correct phase logical errors. Comprehensive evaluations on ESD820, Cholec80, and external multi-center demonstrate that our proposed CPKD achieves superior or comparable performance to state-of-the-art approaches, validating the effectiveness of diffusion-based generative paradigms for surgical phase recognition.

Accurate histopathologic interpretation is key for clinical decision-making; however, current deep learning models for digital pathology are often overconfident and poorly calibrated in out-of-distribution (OOD) settings, which limit trust and clinical adoption. Safety-critical medical imaging workflows benefit from intrinsic uncertainty-aware properties that can accurately reject OOD input. We implement the Spectral-normalized Neural Gaussian Process (SNGP), a set of lightweight modifications that apply spectral normalization and replace the final dense layer with a Gaussian process layer to improve single-model uncertainty estimation and OOD detection. We evaluate SNGP vs. deterministic and MonteCarlo dropout on six datasets across three biomedical classification tasks: white blood cells, amyloid plaques, and colorectal histopathology. SNGP has comparable in-distribution performance while significantly improving uncertainty estimation and OOD detection. Thus, SNGP or related models offer a useful framework for uncertainty-aware classification in digital pathology, supporting safe deployment and building trust with pathologists.

Classical machine learning models such as deep neural networks are usually trained by using Stochastic Gradient Descent-based (SGD) algorithms. The classical SGD can be interpreted as a discretization of the stochastic gradient flow. In this paper we propose a novel, robust and accelerated stochastic optimizer that relies on two key elements: (1) an accelerated Nesterov-like Stochastic Differential Equation (SDE) and (2) its semi-implicit Gauss-Seidel type discretization. The convergence and stability of the obtained method, referred to as NAG-GS, are first studied extensively in the case of the minimization of a quadratic function. This analysis allows us to come up with an optimal learning rate in terms of the convergence rate while ensuring the stability of NAG-GS. This is achieved by the careful analysis of the spectral radius of the iteration matrix and the covariance matrix at stationarity with respect to all hyperparameters of our method. Further, we show that NAG- GS is competitive with state-of-the-art methods such as momentum SGD with weight decay and AdamW for the training of machine learning models such as the logistic regression model, the residual networks models on standard computer vision datasets, Transformers in the frame of the GLUE benchmark and the recent Vision Transformers.

We apply the Weibull distribution -- a two-parameter family from extreme-value theory -- as a diagnostic framework for element-wise weight magnitude distributions in transformers. At initialization, i.i.d. Gaussian weights give |w| ~ HalfNormal, yielding k ~ 1.20 via middle-80% probability-plot fit (the protocol used throughout this work). This anchor makes k a principled, architecture-independent measuring stick for training dynamics; fitting each weight matrix independently at every layer at every checkpoint enables per-component, per-layer, and per-step diagnostics that aggregate statistics cannot resolve. Applying this framework to 12 model entries spanning 7 architectural families (Pythia, OLMo-1/2, LLaMA-3, Mistral, Qwen2.5/3) reveals three findings. First, FFN modules and the attention output projection W_o -- the Transmission Class -- fall in a narrow k band: median terminal k in [1.186, 1.204] across 12 entries (cross-family CV = 0.51%), shared across SwiGLU/GeLU activations, Pre-LN/QK-Norm placements, and 70M-14B sizes. Second, the attention input projections W_q, W_k -- the Selection Class -- depart from the Weibull family, with severity shaped by storage: separately-stored Q/K (OLMo-1, OLMo-2) yields k in [0.76, 0.99] (deep); GQA models yield k in [1.10, 1.16] (mild); Pythia's merged W_qkv occupies a transitional zone tracking training budget T/tau monotonically. Third, lambda grows substantially during training and scales with sqrt(eta/lambda_wd) within the Pythia family (Pearson r = 0.94, three Transmission kinds), directionally consistent with Fan et al. (2025). The two parameters carry independent information: k labels the functional class, lambda labels training progress. We release npm-weibull-py v0.4 (Python library) and DATABASE_v9_1 at https://github.com/tiexinding/NPM-Weibull-public .

Large language models (LLMs) are revolutionizing education, with LLM-based agents playing a key role in simulating student behavior. A major challenge in student simulation is modeling the diverse learning patterns of students at various cognitive levels. However, current LLMs, typically trained as ``helpful assistants'', target at generating perfect responses. As a result, they struggle to simulate students with diverse cognitive abilities, as they often produce overly advanced answers, missing the natural imperfections that characterize student learning and resulting in unrealistic simulations. To address this issue, we propose a training-free framework for student simulation. We begin by constructing a cognitive prototype for each student using a knowledge graph, which captures their understanding of concepts from past learning records. This prototype is then mapped to new tasks to predict student performance. Next, we simulate student solutions based on these predictions and iteratively refine them using a beam search method to better replicate realistic mistakes. To validate our approach, we construct the Student\_100 dataset, consisting of 100 students working on Python programming and 5,000 learning records. Experimental results show that our method consistently outperforms baseline models, achieving 100% improvement in simulation accuracy.

In contrast to classical reinforcement learning, distributional reinforcement learning algorithms aim to learn the distribution of returns rather than their expected value. Since the nature of the return distribution is generally unknown a priori or arbitrarily complex, a common approach finds approximations within a set of representable, parametric distributions. Typically, this involves a projection of the unconstrained distribution onto the set of simplified distributions. We argue that this projection step entails a strong inductive bias when coupled with neural networks and gradient descent, thereby profoundly impacting the generalization behavior of learned models. In order to facilitate reliable uncertainty estimation through diversity, this work studies the combination of several different projections and representations in a distributional ensemble. We establish theoretical properties of such projection ensembles and derive an algorithm that uses ensemble disagreement, measured by the average 1-Wasserstein distance, as a bonus for deep exploration. We evaluate our algorithm on the behavior suite benchmark and find that diverse projection ensembles lead to significant performance improvements over existing methods on a wide variety of tasks with the most pronounced gains in directed exploration problems.

The efficient spatial allocation of primitives serves as the foundation of 3D Gaussian Splatting, as it directly dictates the synergy between representation compactness, reconstruction speed, and rendering fidelity. Previous solutions, whether based on iterative optimization or feed-forward inference, suffer from significant trade-offs between these goals, mainly due to the reliance on local, heuristic-driven allocation strategies that lack global scene awareness. Specifically, current feed-forward methods are largely pixel-aligned or voxel-aligned. By unprojecting pixels into dense, view-aligned primitives, they bake redundancy into the 3D asset. As more input views are added, the representation size increases and global consistency becomes fragile. To this end, we introduce GlobalSplat, a framework built on the principle of align first, decode later. Our approach learns a compact, global, latent scene representation that encodes multi-view input and resolves cross-view correspondences before decoding any explicit 3D geometry. Crucially, this formulation enables compact, globally consistent reconstructions without relying on pretrained pixel-prediction backbones or reusing latent features from dense baselines. Utilizing a coarse-to-fine training curriculum that gradually increases decoded capacity, GlobalSplat natively prevents representation bloat. On RealEstate10K and ACID, our model achieves competitive novel-view synthesis performance while utilizing as few as 16K Gaussians, significantly less than required by dense pipelines, obtaining a light 4MB footprint. Further, GlobalSplat enables significantly faster inference than the baselines, operating under 78 milliseconds in a single forward pass. Project page is available at https://r-itk.github.io/globalsplat/

Low-rank optimization has emerged as a promising direction in training large language models (LLMs) to reduce the memory usage of adaptive optimizers by constraining learning to a lower-dimensional space. Prior work typically projects gradients of linear layers using approaches based on Singular Value Decomposition (SVD). However, applying SVD-based procedures individually to each layer in large models is computationally expensive and incurs additional memory costs due to storing the projection matrices. In this work, we propose a computationally efficient and conceptually simple two-step procedure to approximate SVD-based gradient projections into lower-dimensional spaces. First, we construct a complete orthogonal basis using predefined orthogonal matrices of the Discrete Cosine Transform (DCT). Second, we adaptively select basis columns based on their alignment with the gradient of each layer. Each projection matrix in our method is obtained via a single matrix multiplication followed by a lightweight sorting step to identify the most relevant basis vectors. Due to the predefined nature of the orthogonal bases, they are computed once at the start of training. During training, we store only the indices of the selected columns, avoiding the need to store full projection matrices for each layer. Our numerical experiments on both pre-training and fine-tuning tasks demonstrate the effectiveness of our dual strategy in approximating optimal low-rank projections, matching the performance of costly SVD-based methods while achieving faster runtime and reduced memory usage.

Deep face recognition has achieved great success due to large-scale training databases and rapidly developing loss functions. The existing algorithms devote to realizing an ideal idea: minimizing the intra-class distance and maximizing the inter-class distance. However, they may neglect that there are also low quality training images which should not be optimized in this strict way. Considering the imperfection of training databases, we propose that intra-class and inter-class objectives can be optimized in a moderate way to mitigate overfitting problem, and further propose a novel loss function, named sigmoid-constrained hypersphere loss (SFace). Specifically, SFace imposes intra-class and inter-class constraints on a hypersphere manifold, which are controlled by two sigmoid gradient re-scale functions respectively. The sigmoid curves precisely re-scale the intra-class and inter-class gradients so that training samples can be optimized to some degree. Therefore, SFace can make a better balance between decreasing the intra-class distances for clean examples and preventing overfitting to the label noise, and contributes more robust deep face recognition models. Extensive experiments of models trained on CASIA-WebFace, VGGFace2, and MS-Celeb-1M databases, and evaluated on several face recognition benchmarks, such as LFW, MegaFace and IJB-C databases, have demonstrated the superiority of SFace.

We present a feasibility-seeking approach to neural network training. This mathematical optimization framework is distinct from conventional gradient-based loss minimization and uses projection operators and iterative projection algorithms. We reformulate training as a large-scale feasibility problem: finding network parameters and states that satisfy local constraints derived from its elementary operations. Training then involves projecting onto these constraints, a local operation that can be parallelized across the network. We introduce PJAX, a JAX-based software framework that enables this paradigm. PJAX composes projection operators for elementary operations, automatically deriving the solution operators for the feasibility problems (akin to autodiff for derivatives). It inherently supports GPU/TPU acceleration, provides a familiar NumPy-like API, and is extensible. We train diverse architectures (MLPs, CNNs, RNNs) on standard benchmarks using PJAX, demonstrating its functionality and generality. Our results show that this approach is as a compelling alternative to gradient-based training, with clear advantages in parallelism and the ability to handle non-differentiable operations.

Feed-forward 3D Gaussian Splatting (3DGS) has emerged as a highly effective solution for novel view synthesis. Existing methods predominantly rely on a pixel-aligned Gaussian prediction paradigm, where each 2D pixel is mapped to a 3D Gaussian. We rethink this widely adopted formulation and identify several inherent limitations: it renders the reconstructed 3D models heavily dependent on the number of input views, leads to view-biased density distributions, and introduces alignment errors, particularly when source views contain occlusions or low texture. To address these challenges, we introduce VolSplat, a new multi-view feed-forward paradigm that replaces pixel alignment with voxel-aligned Gaussians. By directly predicting Gaussians from a predicted 3D voxel grid, it overcomes pixel alignment's reliance on error-prone 2D feature matching, ensuring robust multi-view consistency. Furthermore, it enables adaptive control over Gaussian density based on 3D scene complexity, yielding more faithful Gaussian point clouds, improved geometric consistency, and enhanced novel-view rendering quality. Experiments on widely used benchmarks including RealEstate10K and ScanNet demonstrate that VolSplat achieves state-of-the-art performance while producing more plausible and view-consistent Gaussian reconstructions. In addition to superior results, our approach establishes a more scalable framework for feed-forward 3D reconstruction with denser and more robust representations, paving the way for further research in wider communities. The video results, code and trained models are available on our project page: https://lhmd.top/volsplat.

High-resolution 3D object generation remains a challenging task primarily due to the limited availability of comprehensive annotated training data. Recent advancements have aimed to overcome this constraint by harnessing image generative models, pretrained on extensive curated web datasets, using knowledge transfer techniques like Score Distillation Sampling (SDS). Efficiently addressing the requirements of high-resolution rendering often necessitates the adoption of latent representation-based models, such as the Latent Diffusion Model (LDM). In this framework, a significant challenge arises: To compute gradients for individual image pixels, it is necessary to backpropagate gradients from the designated latent space through the frozen components of the image model, such as the VAE encoder used within LDM. However, this gradient propagation pathway has never been optimized, remaining uncontrolled during training. We find that the unregulated gradients adversely affect the 3D model's capacity in acquiring texture-related information from the image generative model, leading to poor quality appearance synthesis. To address this overarching challenge, we propose an innovative operation termed Pixel-wise Gradient Clipping (PGC) designed for seamless integration into existing 3D generative models, thereby enhancing their synthesis quality. Specifically, we control the magnitude of stochastic gradients by clipping the pixel-wise gradients efficiently, while preserving crucial texture-related gradient directions. Despite this simplicity and minimal extra cost, extensive experiments demonstrate the efficacy of our PGC in enhancing the performance of existing 3D generative models for high-resolution object rendering.

Score-based generative models (SGMs) are a powerful class of generative models that exhibit remarkable empirical performance. Score-based generative modelling (SGM) consists of a ``noising'' stage, whereby a diffusion is used to gradually add Gaussian noise to data, and a generative model, which entails a ``denoising'' process defined by approximating the time-reversal of the diffusion. Existing SGMs assume that data is supported on a Euclidean space, i.e. a manifold with flat geometry. In many domains such as robotics, geoscience or protein modelling, data is often naturally described by distributions living on Riemannian manifolds and current SGM techniques are not appropriate. We introduce here Riemannian Score-based Generative Models (RSGMs), a class of generative models extending SGMs to Riemannian manifolds. We demonstrate our approach on a variety of manifolds, and in particular with earth and climate science spherical data.

Two major sources of training data exist for post-training modern language models: online (model-generated rollouts) data, and offline (human or other-model demonstrations) data. These two types of data are typically used by approaches like Reinforcement Learning (RL) and Supervised Fine-Tuning (SFT), respectively. In this paper, we show that these approaches are not in contradiction, but are instances of a single optimization process. We derive a Unified Policy Gradient Estimator, and present the calculations of a wide spectrum of post-training approaches as the gradient of a common objective under different data distribution assumptions and various bias-variance tradeoffs. The gradient estimator is constructed with four interchangeable parts: stabilization mask, reference policy denominator, advantage estimate, and likelihood gradient. Motivated by our theoretical findings, we propose Hybrid Post-Training (HPT), an algorithm that dynamically selects different training signals. HPT is designed to yield both effective exploitation of demonstration and stable exploration without sacrificing learned reasoning patterns. We provide extensive experiments and ablation studies to verify the effectiveness of our unified theoretical framework and HPT. Across six mathematical reasoning benchmarks and two out-of-distribution suites, HPT consistently surpasses strong baselines across models of varying scales and families.

Recently, a wide range of memory-efficient LLM training algorithms have gained substantial popularity. These methods leverage the low-rank structure of gradients to project optimizer states into a subspace using projection matrix found by singular value decomposition (SVD). However, convergence of these algorithms is highly dependent on the update rules of their projection matrix. In this work, we provide the first convergence guarantee for arbitrary update rules of projection matrix. This guarantee is generally applicable to optimizers that can be analyzed with Hamiltonian Descent, including most common ones, such as LION, Adam. Inspired by our theoretical understanding, we propose Online Subspace Descent, a new family of subspace descent optimizer without SVD. Instead of updating the projection matrix with eigenvectors, Online Subspace Descent updates the projection matrix with online PCA. Online Subspace Descent is flexible and introduces only minimum overhead to training. We show that for the task of pretraining LLaMA models ranging from 60M to 7B parameters on the C4 dataset, Online Subspace Descent achieves lower perplexity and better downstream tasks performance than state-of-the-art low-rank training methods across different settings and narrows the gap with full-rank baselines.

Image generation using diffusion models have demonstrated outstanding learning capabilities, effectively capturing the full distribution of the training dataset. They are known to generate wide variations in sampled images, albeit with a trade-off in image fidelity. Guided sampling methods, such as classifier guidance (CG) and classifier-free guidance (CFG), focus sampling in well-learned high-probability regions to generate images of high fidelity, but each has its limitations. CG is computationally expensive due to the use of back-propagation for classifier gradient descent, while CFG, being gradient-free, is more efficient but compromises class label alignment compared to CG. In this work, we propose an efficient guidance method that fully utilizes a pre-trained classifier without using gradient descent. By using the classifier solely in inference mode, a time-adaptive reference class label and corresponding guidance scale are determined at each time step for guided sampling. Experiments on both class-conditioned and text-to-image generation diffusion models demonstrate that the proposed Gradient-free Classifier Guidance (GFCG) method consistently improves class prediction accuracy. We also show GFCG to be complementary to other guided sampling methods like CFG. When combined with the state-of-the-art Autoguidance (ATG), without additional computational overhead, it enhances image fidelity while preserving diversity. For ImageNet 512times512, we achieve a record FD_{DINOv2} of 23.09, while simultaneously attaining a higher classification Precision (94.3%) compared to ATG (90.2%)

Explanation methods facilitate the development of models that learn meaningful concepts and avoid exploiting spurious correlations. We illustrate a previously unrecognized limitation of the popular neural network explanation method Grad-CAM: as a side effect of the gradient averaging step, Grad-CAM sometimes highlights locations the model did not actually use. To solve this problem, we propose HiResCAM, a novel class-specific explanation method that is guaranteed to highlight only the locations the model used to make each prediction. We prove that HiResCAM is a generalization of CAM and explore the relationships between HiResCAM and other gradient-based explanation methods. Experiments on PASCAL VOC 2012, including crowd-sourced evaluations, illustrate that while HiResCAM's explanations faithfully reflect the model, Grad-CAM often expands the attention to create bigger and smoother visualizations. Overall, this work advances convolutional neural network explanation approaches and may aid in the development of trustworthy models for sensitive applications.

The sliced Wasserstein (SW) distances between two probability measures are defined as the expectation of the Wasserstein distance between two one-dimensional projections of the two measures. The randomness comes from a projecting direction that is used to project the two input measures to one dimension. Due to the intractability of the expectation, Monte Carlo integration is performed to estimate the value of the SW distance. Despite having various variants, there has been no prior work that improves the Monte Carlo estimation scheme for the SW distance in terms of controlling its variance. To bridge the literature on variance reduction and the literature on the SW distance, we propose computationally efficient control variates to reduce the variance of the empirical estimation of the SW distance. The key idea is to first find Gaussian approximations of projected one-dimensional measures, then we utilize the closed-form of the Wasserstein-2 distance between two Gaussian distributions to design the control variates. In particular, we propose using a lower bound and an upper bound of the Wasserstein-2 distance between two fitted Gaussians as two computationally efficient control variates. We empirically show that the proposed control variate estimators can help to reduce the variance considerably when comparing measures over images and point-clouds. Finally, we demonstrate the favorable performance of the proposed control variate estimators in gradient flows to interpolate between two point-clouds and in deep generative modeling on standard image datasets, such as CIFAR10 and CelebA.

We present HealthGPT, a powerful Medical Large Vision-Language Model (Med-LVLM) that integrates medical visual comprehension and generation capabilities within a unified autoregressive paradigm. Our bootstrapping philosophy is to progressively adapt heterogeneous comprehension and generation knowledge to pre-trained large language models (LLMs). This is achieved through a novel heterogeneous low-rank adaptation (H-LoRA) technique, which is complemented by a tailored hierarchical visual perception approach and a three-stage learning strategy. To effectively learn the HealthGPT, we devise a comprehensive medical domain-specific comprehension and generation dataset called VL-Health. Experimental results demonstrate exceptional performance and scalability of HealthGPT in medical visual unified tasks. Our project can be accessed at https://github.com/DCDmllm/HealthGPT.

Data fields sampled on irregularly spaced points arise in many applications in the sciences and engineering. For regular grids, Convolutional Neural Networks (CNNs) have been successfully used to gaining benefits from weight sharing and invariances. We generalize CNNs by introducing methods for data on unstructured point clouds based on Generalized Moving Least Squares (GMLS). GMLS is a non-parametric technique for estimating linear bounded functionals from scattered data, and has recently been used in the literature for solving partial differential equations. By parameterizing the GMLS estimator, we obtain learning methods for operators with unstructured stencils. In GMLS-Nets the necessary calculations are local, readily parallelizable, and the estimator is supported by a rigorous approximation theory. We show how the framework may be used for unstructured physical data sets to perform functional regression to identify associated differential operators and to regress quantities of interest. The results suggest the architectures to be an attractive foundation for data-driven model development in scientific machine learning applications.

Training-free guided generation is a widely used and powerful technique that allows the end user to exert further control over the generative process of flow/diffusion models. Generally speaking, two families of techniques have emerged for solving this problem for gradient-based guidance: namely, posterior guidance (i.e., guidance via projecting the current sample to the target distribution via the target prediction model) and end-to-end guidance (i.e., guidance by performing backpropagation throughout the entire ODE solve). In this work, we show that these two seemingly separate families can actually be unified by looking at posterior guidance as a greedy strategy of end-to-end guidance. We explore the theoretical connections between these two families and provide an in-depth theoretical of these two techniques relative to the continuous ideal gradients. Motivated by this analysis we then show a method for interpolating between these two families enabling a trade-off between compute and accuracy of the guidance gradients. We then validate this work on several inverse image problems and property-guided molecular generation.

Generative modeling can be formulated as learning a mapping f such that its pushforward distribution matches the data distribution. The pushforward behavior can be carried out iteratively at inference time, for example in diffusion and flow-based models. In this paper, we propose a new paradigm called Drifting Models, which evolve the pushforward distribution during training and naturally admit one-step inference. We introduce a drifting field that governs the sample movement and achieves equilibrium when the distributions match. This leads to a training objective that allows the neural network optimizer to evolve the distribution. In experiments, our one-step generator achieves state-of-the-art results on ImageNet at 256 x 256 resolution, with an FID of 1.54 in latent space and 1.61 in pixel space. We hope that our work opens up new opportunities for high-quality one-step generation.

We introduce MVN-Grad (Momentum on Variance-Normalized Gradients), an Adam-style optimizer that improves stability and performance by combining two complementary ideas: variance-based normalization and momentum applied after normalization. MVN-Grad scales each coordinate by an exponential moving average of gradient uncertainty and applies momentum to the resulting normalized gradients, eliminating the cross-time coupling between stale momentum and a stochastic normalizer present in standard Adam-type updates. We prove that this decoupling yields strictly smaller one-step conditional update variance than momentum-then-normalize variance methods under standard noise assumptions, and that MVN-Grad is robust to outliers: it has a uniformly bounded response to single gradient spikes. In low-variance regimes, we further show variance normalization avoids sign-type collapse associated with second-moment scaling and can yield accelerated convergence. Across CIFAR-100 image classification and GPT-style language modeling benchmarks, MVN-Grad matches or outperforms Adam, AdaBelief, and LaProp, delivering smoother training and improved generalization with no added overhead.

Neural Controlled Differential Equations (NCDEs) are a state-of-the-art tool for supervised learning with irregularly sampled time series (Kidger, 2020). However, no theoretical analysis of their performance has been provided yet, and it remains unclear in particular how the irregularity of the time series affects their predictions. By merging the rich theory of controlled differential equations (CDE) and Lipschitz-based measures of the complexity of deep neural nets, we take a first step towards the theoretical understanding of NCDE. Our first result is a generalization bound for this class of predictors that depends on the regularity of the time series data. In a second time, we leverage the continuity of the flow of CDEs to provide a detailed analysis of both the sampling-induced bias and the approximation bias. Regarding this last result, we show how classical approximation results on neural nets may transfer to NCDEs. Our theoretical results are validated through a series of experiments.

Early stopping monitors global validation loss and halts all parameter updates simultaneously, which is computationally costly for large transformers due to the extended time required for validation inference. We propose GradES, a novel gradient-based early stopping approach that operates within transformer components (attention projections and Feed-Forward layer matrices). We found that different components converge at varying rates during fine-tuning. GradES tracks the magnitude of gradients in backpropagation for these matrices during training. When a projection matrix's gradients fall below a convergence threshold tau, we exclude that projection matrix from further updates individually, eliminating costly validation passes while allowing slow converging matrices to continue learning. By strategically freezing parameters when their gradients converge, GradES speeds up training time by 1.57--7.22times while simultaneously enhancing generalization through early prevention of overfitting, resulting in 1.2% higher average accuracy.

In recent years, 3D Gaussian splatting has emerged as a powerful technique for 3D reconstruction and generation, known for its fast and high-quality rendering capabilities. To address these shortcomings, this paper introduces a novel diffusion-based framework, GVGEN, designed to efficiently generate 3D Gaussian representations from text input. We propose two innovative techniques:(1) Structured Volumetric Representation. We first arrange disorganized 3D Gaussian points as a structured form GaussianVolume. This transformation allows the capture of intricate texture details within a volume composed of a fixed number of Gaussians. To better optimize the representation of these details, we propose a unique pruning and densifying method named the Candidate Pool Strategy, enhancing detail fidelity through selective optimization. (2) Coarse-to-fine Generation Pipeline. To simplify the generation of GaussianVolume and empower the model to generate instances with detailed 3D geometry, we propose a coarse-to-fine pipeline. It initially constructs a basic geometric structure, followed by the prediction of complete Gaussian attributes. Our framework, GVGEN, demonstrates superior performance in qualitative and quantitative assessments compared to existing 3D generation methods. Simultaneously, it maintains a fast generation speed (sim7 seconds), effectively striking a balance between quality and efficiency.

We introduce `dualGNN', an autoregressive message-passing GNN for sampling fine, regular triangulations (FRTs) of convex polytopes. dualGNN operates on a generalization of the dual graph of a triangulation, with edges labeled by `signed circuits' -- combinatorial invariants from oriented matroid theory which we show are both necessary and sufficient for exposing regularity. The model is independent of the number of points in the polytope and invariant under the polytope's orientation-preserving symmetries (SL(d,Z) ltimes Z^d). When implemented with a certain masking procedure, one can also guarantee that every rollout produces a fine triangulation (in 2D). On unseen polygons with N_pts leq 40, dualGNN is the most uniform FRT sampler we tested, and even a model trained on a single polygon generalizes well to other polygons. The model is small (sim92k parameters), trains in sim7.5 hours on a single consumer GPU, and runs without modification on an M1 MacBook Pro. We apply dualGNN to string theory, uniformly sampling Calabi-Yau threefolds at h^{1,1}=86 and consistent with uniformity at h^{1,1}=128. This is an order of magnitude beyond previous learned methods with a model sim1000times smaller. Code, training scripts, and pretrained models are available at https://github.com/natemacfadden/dualGNN .

Translating images from a source domain to a target domain for learning target models is one of the most common strategies in domain adaptive semantic segmentation (DASS). However, existing methods still struggle to preserve semantically-consistent local details between the original and translated images. In this work, we present an innovative approach that addresses this challenge by using source-domain labels as explicit guidance during image translation. Concretely, we formulate cross-domain image translation as a denoising diffusion process and utilize a novel Semantic Gradient Guidance (SGG) method to constrain the translation process, conditioning it on the pixel-wise source labels. Additionally, a Progressive Translation Learning (PTL) strategy is devised to enable the SGG method to work reliably across domains with large gaps. Extensive experiments demonstrate the superiority of our approach over state-of-the-art methods.

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.

Accurate differentiation of pseudoprogression (PsP) from True Progression (TP) following radiotherapy (RT) in glioblastoma (GBM) patients is crucial for optimal treatment planning. However, this task remains challenging due to the overlapping imaging characteristics of PsP and TP. This study therefore proposes a multimodal deep-learning approach utilizing complementary information from routine anatomical MR images, clinical parameters, and RT treatment planning information for improved predictive accuracy. The approach utilizes a self-supervised Vision Transformer (ViT) to encode multi-sequence MR brain volumes to effectively capture both global and local context from the high dimensional input. The encoder is trained in a self-supervised upstream task on unlabeled glioma MRI datasets from the open BraTS2021, UPenn-GBM, and UCSF-PDGM datasets to generate compact, clinically relevant representations from FLAIR and T1 post-contrast sequences. These encoded MR inputs are then integrated with clinical data and RT treatment planning information through guided cross-modal attention, improving progression classification accuracy. This work was developed using two datasets from different centers: the Burdenko Glioblastoma Progression Dataset (n = 59) for training and validation, and the GlioCMV progression dataset from the University Hospital Erlangen (UKER) (n = 20) for testing. The proposed method achieved an AUC of 75.3%, outperforming the current state-of-the-art data-driven approaches. Importantly, the proposed approach relies on readily available anatomical MRI sequences, clinical data, and RT treatment planning information, enhancing its clinical feasibility. The proposed approach addresses the challenge of limited data availability for PsP and TP differentiation and could allow for improved clinical decision-making and optimized treatment plans for GBM patients.

Multimodal large language models (MLLMs) still perform poorly on scientific tasks, particularly those requiring multi-step and interpretable reasoning. Their limitations include insufficient scientific reasoning patterns, lack of global coherence in multi-step inference, and the absence of reflective self-correction, making them unreliable in structured scientific contexts. We introduce EduFlow, the first end-to-end framework that covers the full pipeline of educational scientific reasoning, including data selection, MCTS-based trajectory construction, model training, and output optimization. At its core is EduPRM, a process-aware reward model that critiques reasoning steps with tags and justifications. EduPRM is trained via curriculum learning on three complementary supervision sources: MCTS-guided trajectories, error-injected critiques, and teacher-student dialogues, enabling dynamic adaptation to multi-stage problem solving and iterative refinement during inference. We further propose EduMCTS, a domain-adapted search framework that introduces bootstrapping actions specifically designed for educational reasoning, such as a self-reflection mechanism that promotes reflective error correction. It further leverages EduPRM's fine-grained feedback to guide the search toward higher-quality reasoning trajectories. By applying self-consistency and rejection sampling, we constructed EduMCTS-160K, a large-scale dataset of educational reasoning trajectories. Extensive experiments demonstrate that EduFlow enhances reasoning consistency and coherence. Code, data, and models will be released.

Real-world data deviating from the independent and identically distributed (i.i.d.) assumption of in-distribution training data poses security threats to deep networks, thus advancing out-of-distribution (OOD) detection algorithms. Detection methods in generative language models (GLMs) mainly focus on uncertainty estimation and embedding distance measurement, with the latter proven to be most effective in traditional linguistic tasks like summarization and translation. However, another complex generative scenario mathematical reasoning poses significant challenges to embedding-based methods due to its high-density feature of output spaces, but this feature causes larger discrepancies in the embedding shift trajectory between different samples in latent spaces. Hence, we propose a trajectory-based method TV score, which uses trajectory volatility for OOD detection in mathematical reasoning. Experiments show that our method outperforms all traditional algorithms on GLMs under mathematical reasoning scenarios and can be extended to more applications with high-density features in output spaces, such as multiple-choice questions.

For a parametric model of distributions, the closest distribution in the model to the true distribution located outside the model is considered. Measuring the closeness between two distributions with the Kullback-Leibler (K-L) divergence, the closest distribution is called the "information projection." The estimation risk of the maximum likelihood estimator (MLE) is defined as the expectation of K-L divergence between the information projection and the predictive distribution with plugged-in MLE. Here, the asymptotic expansion of the risk is derived up to n^{-2}-order, and the sufficient condition on the risk for the Bayes error rate between the true distribution and the information projection to be lower than a specified value is investigated. Combining these results, the "p-n criterion" is proposed, which determines whether the MLE is sufficiently close to the information projection for the given model and sample. In particular, the criterion for an exponential family model is relatively simple and can be used for a complex model with no explicit form of normalizing constant. This criterion can constitute a solution to the sample size or model acceptance problem. Use of the p-n criteria is demonstrated for two practical datasets. The relationship between the results and information criteria is also studied.

One of the primary challenges in brain tumor segmentation arises from the uncertainty of voxels close to tumor boundaries. However, the conventional process of generating ground truth segmentation masks fails to treat such uncertainties properly. Those "hard labels" with 0s and 1s conceptually influenced the majority of prior studies on brain image segmentation. As a result, tumor segmentation is often solved through voxel classification. In this work, we instead view this problem as a voxel-level regression, where the ground truth represents a certainty mapping from any pixel to the border of the tumor. We propose a novel ground truth label transformation, which is based on a signed geodesic transform, to capture the uncertainty in brain tumors' vicinity. We combine this idea with a Focal-like regression L1-loss that enables effective regression learning in high-dimensional output space by appropriately weighting voxels according to their difficulty. We thoroughly conduct an experimental evaluation to validate the components of our proposed method, compare it to a diverse array of state-of-the-art segmentation models, and show that it is architecture-agnostic. The code of our method is made publicly available (https://github.com/Oulu-IMEDS/SiNGR/).

Following recent advancements in computer-aided detection and diagnosis systems for colonoscopy, the automated reporting of colonoscopy procedures is set to further revolutionize clinical practice. A crucial yet underexplored aspect in the development of these systems is the creation of computer vision models capable of autonomously segmenting full-procedure colonoscopy videos into anatomical sections and procedural phases. In this work, we aim to create the first open-access dataset for this task and propose a state-of-the-art approach, benchmarked against competitive models. We annotated the publicly available REAL-Colon dataset, consisting of 2.7 million frames from 60 complete colonoscopy videos, with frame-level labels for anatomical locations and colonoscopy phases across nine categories. We then present ColonTCN, a learning-based architecture that employs custom temporal convolutional blocks designed to efficiently capture long temporal dependencies for the temporal segmentation of colonoscopy videos. We also propose a dual k-fold cross-validation evaluation protocol for this benchmark, which includes model assessment on unseen, multi-center data.ColonTCN achieves state-of-the-art performance in classification accuracy while maintaining a low parameter count when evaluated using the two proposed k-fold cross-validation settings, outperforming competitive models. We report ablation studies to provide insights into the challenges of this task and highlight the benefits of the custom temporal convolutional blocks, which enhance learning and improve model efficiency. We believe that the proposed open-access benchmark and the ColonTCN approach represent a significant advancement in the temporal segmentation of colonoscopy procedures, fostering further open-access research to address this clinical need.

Generalized feed-forward Gaussian models have achieved significant progress in sparse-view 3D reconstruction by leveraging prior knowledge from large multi-view datasets. However, these models often struggle to represent high-frequency details due to the limited number of Gaussians. While the densification strategy used in per-scene 3D Gaussian splatting (3D-GS) optimization can be adapted to the feed-forward models, it may not be ideally suited for generalized scenarios. In this paper, we propose Generative Densification, an efficient and generalizable method to densify Gaussians generated by feed-forward models. Unlike the 3D-GS densification strategy, which iteratively splits and clones raw Gaussian parameters, our method up-samples feature representations from the feed-forward models and generates their corresponding fine Gaussians in a single forward pass, leveraging the embedded prior knowledge for enhanced generalization. Experimental results on both object-level and scene-level reconstruction tasks demonstrate that our method outperforms state-of-the-art approaches with comparable or smaller model sizes, achieving notable improvements in representing fine details.

Current medical vision-language models (VLMs) process volumetric brain MRI using 2D slice-based approximations, fragmenting the spatial context required for accurate neuroradiological interpretation. We developed Brain3D, a staged vision-language framework for automated radiology report generation from 3D brain tumor MRI. Our approach inflates a pretrained 2D medical encoder into a native 3D architecture and progressively aligns it with a causal language model through three stages: contrastive grounding, supervised projector warmup, and LoRA-based linguistic specialization. Unlike generalist 3D medical VLMs, Brain3D is tailored to neuroradiology, where hemispheric laterality, tumor infiltration patterns, and anatomical localization are critical. Evaluated on 468 subjects (BraTS pathological cases plus healthy controls), our model achieves a Clinical Pathology F1 of 0.951 versus 0.413 for a strong 2D baseline while maintaining perfect specificity on healthy scans. The staged alignment proves essential: contrastive grounding establishes visual-textual correspondence, projector warmup stabilizes conditioning, and LoRA adaptation shifts output from verbose captions to structured clinical reports\footnote{Our code is publicly available for transparency and reproducibility

Computing the optimal transport distance between statistical distributions is a fundamental task in machine learning. One remarkable recent advancement is entropic regularization and the Sinkhorn algorithm, which utilizes only matrix scaling and guarantees an approximated solution with near-linear runtime. Despite the success of the Sinkhorn algorithm, its runtime may still be slow due to the potentially large number of iterations needed for convergence. To achieve possibly super-exponential convergence, we present Sinkhorn-Newton-Sparse (SNS), an extension to the Sinkhorn algorithm, by introducing early stopping for the matrix scaling steps and a second stage featuring a Newton-type subroutine. Adopting the variational viewpoint that the Sinkhorn algorithm maximizes a concave Lyapunov potential, we offer the insight that the Hessian matrix of the potential function is approximately sparse. Sparsification of the Hessian results in a fast O(n^2) per-iteration complexity, the same as the Sinkhorn algorithm. In terms of total iteration count, we observe that the SNS algorithm converges orders of magnitude faster across a wide range of practical cases, including optimal transportation between empirical distributions and calculating the Wasserstein W_1, W_2 distance of discretized densities. The empirical performance is corroborated by a rigorous bound on the approximate sparsity of the Hessian matrix.

Prostate cancer, a growing global health concern, necessitates precise diagnostic tools, with Magnetic Resonance Imaging (MRI) offering high-resolution soft tissue imaging that significantly enhances diagnostic accuracy. Recent advancements in explainable AI and representation learning have significantly improved prostate cancer diagnosis by enabling automated and precise lesion classification. However, existing explainable AI methods, particularly those based on frameworks like generative adversarial networks (GANs), are predominantly developed for natural image generation, and their application to medical imaging often leads to suboptimal performance due to the unique characteristics and complexity of medical image. To address these challenges, our paper introduces three key contributions. First, we propose ProjectedEx, a generative framework that provides interpretable, multi-attribute explanations, effectively linking medical image features to classifier decisions. Second, we enhance the encoder module by incorporating feature pyramids, which enables multiscale feedback to refine the latent space and improves the quality of generated explanations. Additionally, we conduct comprehensive experiments on both the generator and classifier, demonstrating the clinical relevance and effectiveness of ProjectedEx in enhancing interpretability and supporting the adoption of AI in medical settings. Code will be released at https://github.com/Richardqiyi/ProjectedEx

We study the problem of learning generative models for discrete sequences in a continuous embedding space. Whereas prior approaches typically operate in Euclidean space or on the probability simplex, we instead work on the sphere mathbb S^{d-1}. There the von Mises-Fisher (vMF) distribution induces a natural noise process and admits a closed-form conditional score. The conditional velocity is in general intractable. Exploiting the radial symmetry of the vMF density we reduce the continuity equation on mathbb S^{d-1} to a scalar ODE in the cosine similarity, whose unique bounded solution determines the velocity. The marginal velocity and marginal score on (mathbb S^{d-1})^L both decompose into posterior-weighted tangent sums that differ only by per-token scalar weights. This gives access to both ODE and predictor-corrector (PC) sampling. The posterior is the only learned object, trained by a cross-entropy loss. Experiments compare the vMF path against geodesic and Euclidean alternatives. The combination of vMF and PC sampling significantly improves results on Sudoku and language modeling.

Probing studies what information is encoded in a frozen LLM's layer representations by training a lightweight predictor on top of them. Beyond analysis, probes are often used operationally in probe-then-steer pipelines: a learned concept vector is extracted from a probe and injected via additive activation steering by adding it to a layer representation during the forward pass. The effectiveness of this pipeline hinges on estimating concept vectors that are accurate, directionally stable under ablation, and inexpensive to obtain. Motivated by these desiderata, we propose RAPTOR (Ridge-Adaptive Logistic Probe), a simple L2-regularized logistic probe whose validation-tuned ridge strength yields concept vectors from normalized weights. Across extensive experiments on instruction-tuned LLMs and human-written concept datasets, RAPTOR matches or exceeds strong baselines in accuracy while achieving competitive directional stability and substantially lower training cost; these quantitative results are supported by qualitative downstream steering demonstrations. Finally, using the Convex Gaussian Min-max Theorem (CGMT), we provide a mechanistic characterization of ridge logistic regression in an idealized Gaussian teacher-student model in the high-dimensional few-shot regime, explaining how penalty strength mediates probe accuracy and concept-vector stability and yielding structural predictions that qualitatively align with trends observed on real LLM embeddings.

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.

We study the problem of optimizing biological sequences, e.g., proteins, DNA, and RNA, to maximize a black-box score function that is only evaluated in an offline dataset. We propose a novel solution, bootstrapped training of score-conditioned generator (BootGen) algorithm. Our algorithm repeats a two-stage process. In the first stage, our algorithm trains the biological sequence generator with rank-based weights to enhance the accuracy of sequence generation based on high scores. The subsequent stage involves bootstrapping, which augments the training dataset with self-generated data labeled by a proxy score function. Our key idea is to align the score-based generation with a proxy score function, which distills the knowledge of the proxy score function to the generator. After training, we aggregate samples from multiple bootstrapped generators and proxies to produce a diverse design. Extensive experiments show that our method outperforms competitive baselines on biological sequential design tasks. We provide reproducible source code: https://github.com/kaist-silab/bootgen{https://github.com/kaist-silab/bootgen}.

We deal with the combinatorial problem of learning directed acyclic graph (DAG) structure from observational data adhering to a linear structural equation model (SEM). Leveraging advances in differentiable, nonconvex characterizations of acyclicity, recent efforts have advocated a continuous constrained optimization paradigm to efficiently explore the space of DAGs. Most existing methods employ lasso-type score functions to guide this search, which (i) require expensive penalty parameter retuning when the unknown SEM noise variances change across problem instances; and (ii) implicitly rely on limiting homoscedasticity assumptions. In this work, we propose a new convex score function for sparsity-aware learning of linear DAGs, which incorporates concomitant estimation of scale and thus effectively decouples the sparsity parameter from the exogenous noise levels. Regularization via a smooth, nonconvex acyclicity penalty term yields CoLiDE (Concomitant Linear DAG Estimation), a regression-based criterion amenable to efficient gradient computation and closed-form estimation of noise variances in heteroscedastic scenarios. Our algorithm outperforms state-of-the-art methods without incurring added complexity, especially when the DAGs are larger and the noise level profile is heterogeneous. We also find CoLiDE exhibits enhanced stability manifested via reduced standard deviations in several domain-specific metrics, underscoring the robustness of our novel linear DAG estimator.

A promising class of generative models maps points from a simple distribution to a complex distribution through an invertible neural network. Likelihood-based training of these models requires restricting their architectures to allow cheap computation of Jacobian determinants. Alternatively, the Jacobian trace can be used if the transformation is specified by an ordinary differential equation. In this paper, we use Hutchinson's trace estimator to give a scalable unbiased estimate of the log-density. The result is a continuous-time invertible generative model with unbiased density estimation and one-pass sampling, while allowing unrestricted neural network architectures. We demonstrate our approach on high-dimensional density estimation, image generation, and variational inference, achieving the state-of-the-art among exact likelihood methods with efficient sampling.

We consider the problem of approximating a function from L^2 by an element of a given m-dimensional space V_m, associated with some feature map varphi, using evaluations of the function at random points x_1,dots,x_n. After recalling some results on optimal weighted least-squares using independent and identically distributed points, we consider weighted least-squares using projection determinantal point processes (DPP) or volume sampling. These distributions introduce dependence between the points that promotes diversity in the selected features varphi(x_i). We first provide a generalized version of volume-rescaled sampling yielding quasi-optimality results in expectation with a number of samples n = O(mlog(m)), that means that the expected L^2 error is bounded by a constant times the best approximation error in L^2. Also, further assuming that the function is in some normed vector space H continuously embedded in L^2, we further prove that the approximation is almost surely bounded by the best approximation error measured in the H-norm. This includes the cases of functions from L^infty or reproducing kernel Hilbert spaces. Finally, we present an alternative strategy consisting in using independent repetitions of projection DPP (or volume sampling), yielding similar error bounds as with i.i.d. or volume sampling, but in practice with a much lower number of samples. Numerical experiments illustrate the performance of the different strategies.

Simulation-based inference with conditional neural density estimators is a powerful approach to solving inverse problems in science. However, these methods typically treat the underlying forward model as a black box, with no way to exploit geometric properties such as equivariances. Equivariances are common in scientific models, however integrating them directly into expressive inference networks (such as normalizing flows) is not straightforward. We here describe an alternative method to incorporate equivariances under joint transformations of parameters and data. Our method -- called group equivariant neural posterior estimation (GNPE) -- is based on self-consistently standardizing the "pose" of the data while estimating the posterior over parameters. It is architecture-independent, and applies both to exact and approximate equivariances. As a real-world application, we use GNPE for amortized inference of astrophysical binary black hole systems from gravitational-wave observations. We show that GNPE achieves state-of-the-art accuracy while reducing inference times by three orders of magnitude.

Computing a Gaussian process (GP) posterior has a computational cost cubical in the number of historical points. A reformulation of the same GP posterior highlights that this complexity mainly depends on how many unique historical points are considered. This can have important implication in active learning settings, where the set of historical points is constructed sequentially by the learner. We show that sequential black-box optimization based on GPs (GP-Opt) can be made efficient by sticking to a candidate solution for multiple evaluation steps and switch only when necessary. Limiting the number of switches also limits the number of unique points in the history of the GP. Thus, the efficient GP reformulation can be used to exactly and cheaply compute the posteriors required to run the GP-Opt algorithms. This approach is especially useful in real-world applications of GP-Opt with high switch costs (e.g. switching chemicals in wet labs, data/model loading in hyperparameter optimization). As examples of this meta-approach, we modify two well-established GP-Opt algorithms, GP-UCB and GP-EI, to switch candidates as infrequently as possible adapting rules from batched GP-Opt. These versions preserve all the theoretical no-regret guarantees while improving practical aspects of the algorithms such as runtime, memory complexity, and the ability of batching candidates and evaluating them in parallel.

This work introduces the Efficient Transformed Gaussian Process (ETGP), a new way of creating C stochastic processes characterized by: 1) the C processes are non-stationary, 2) the C processes are dependent by construction without needing a mixing matrix, 3) training and making predictions is very efficient since the number of Gaussian Processes (GP) operations (e.g. inverting the inducing point's covariance matrix) do not depend on the number of processes. This makes the ETGP particularly suited for multi-class problems with a very large number of classes, which are the problems studied in this work. ETGPs exploit the recently proposed Transformed Gaussian Process (TGP), a stochastic process specified by transforming a Gaussian Process using an invertible transformation. However, unlike TGPs, ETGPs are constructed by transforming a single sample from a GP using C invertible transformations. We derive an efficient sparse variational inference algorithm for the proposed model and demonstrate its utility in 5 classification tasks which include low/medium/large datasets and a different number of classes, ranging from just a few to hundreds. Our results show that ETGPs, in general, outperform state-of-the-art methods for multi-class classification based on GPs, and have a lower computational cost (around one order of magnitude smaller).

The iterative sampling procedure employed by diffusion models (DMs) often leads to significant inference latency. To address this, we propose Stochastic Consistency Distillation (SCott) to enable accelerated text-to-image generation, where high-quality generations can be achieved with just 1-2 sampling steps, and further improvements can be obtained by adding additional steps. In contrast to vanilla consistency distillation (CD) which distills the ordinary differential equation solvers-based sampling process of a pretrained teacher model into a student, SCott explores the possibility and validates the efficacy of integrating stochastic differential equation (SDE) solvers into CD to fully unleash the potential of the teacher. SCott is augmented with elaborate strategies to control the noise strength and sampling process of the SDE solver. An adversarial loss is further incorporated to strengthen the sample quality with rare sampling steps. Empirically, on the MSCOCO-2017 5K dataset with a Stable Diffusion-V1.5 teacher, SCott achieves an FID (Frechet Inceptio Distance) of 22.1, surpassing that (23.4) of the 1-step InstaFlow (Liu et al., 2023) and matching that of 4-step UFOGen (Xue et al., 2023b). Moreover, SCott can yield more diverse samples than other consistency models for high-resolution image generation (Luo et al., 2023a), with up to 16% improvement in a qualified metric. The code and checkpoints are coming soon.

Explainable Artificial Intelligence (XAI) techniques, such as Gradient-weighted Class Activation Mapping (Grad-CAM), have become indispensable for visualizing the reasoning process of deep neural networks in medical image analysis. Despite their popularity, the faithfulness and reliability of these heatmap-based explanations remain under scrutiny. This study critically investigates whether Grad-CAM truly represents the internal decision-making of deep models trained for lung cancer image classification. Using the publicly available IQ-OTH/NCCD dataset, we evaluate five representative architectures: ResNet-50, ResNet-101, DenseNet-161, EfficientNet-B0, and ViT-Base-Patch16-224, to explore model-dependent variations in Grad-CAM interpretability. We introduce a quantitative evaluation framework that combines localization accuracy, perturbation-based faithfulness, and explanation consistency to assess Grad-CAM reliability across architectures. Experimental findings reveal that while Grad-CAM effectively highlights salient tumor regions in most convolutional networks, its interpretive fidelity significantly degrades for Vision Transformer models due to non-local attention behavior. Furthermore, cross-model comparisons indicate substantial variability in saliency localization, implying that Grad-CAM explanations may not always correspond to the true diagnostic evidence used by the networks. This work exposes critical limitations of current saliency-based XAI approaches in medical imaging and emphasizes the need for model-aware interpretability methods that are both computationally sound and clinically meaningful. Our findings aim to inspire a more cautious and rigorous adoption of visual explanation tools in medical AI, urging the community to rethink what it truly means to "trust" a model's explanation.

Multimodal large language models (MLLMs) like LLaVA and GPT-4(V) enable general-purpose conversations about images with the language modality. As off-the-shelf MLLMs may have limited capabilities on images from domains like dermatology and agriculture, they must be fine-tuned to unlock domain-specific applications. The prevalent architecture of current open-source MLLMs comprises two major modules: an image-language (cross-modal) projection network and a large language model. It is desirable to understand the roles of these two modules in modeling domain-specific visual attributes to inform the design of future models and streamline the interpretability efforts on the current models. To this end, via experiments on 4 datasets and under 2 fine-tuning settings, we find that as the MLLM is fine-tuned, it indeed gains domain-specific visual capabilities, but the updates do not lead to the projection extracting relevant domain-specific visual attributes. Our results indicate that the domain-specific visual attributes are modeled by the LLM, even when only the projection is fine-tuned. Through this study, we offer a potential reinterpretation of the role of cross-modal projections in MLLM architectures. Projection webpage: https://claws-lab.github.io/projection-in-MLLMs/

Diffusion models have demonstrated superior performance across various generative tasks including images, videos, and audio. However, they encounter difficulties in directly generating high-resolution samples. Previously proposed solutions to this issue involve modifying the architecture, further training, or partitioning the sampling process into multiple stages. These methods have the limitation of not being able to directly utilize pre-trained models as-is, requiring additional work. In this paper, we introduce upsample guidance, a technique that adapts pretrained diffusion model (e.g., 512^2) to generate higher-resolution images (e.g., 1536^2) by adding only a single term in the sampling process. Remarkably, this technique does not necessitate any additional training or relying on external models. We demonstrate that upsample guidance can be applied to various models, such as pixel-space, latent space, and video diffusion models. We also observed that the proper selection of guidance scale can improve image quality, fidelity, and prompt alignment.

Glaucoma is the number one cause of irreversible blindness globally. A major challenge for accurate glaucoma detection and progression forecasting is the bottleneck of limited labeled patients with the state-of-the-art (SOTA) 3D retinal imaging data of optical coherence tomography (OCT). To address the data scarcity issue, this paper proposes two solutions. First, we develop a novel generalization-reinforced semi-supervised learning (SSL) model called pseudo supervisor to optimally utilize unlabeled data. Compared with SOTA models, the proposed pseudo supervisor optimizes the policy of predicting pseudo labels with unlabeled samples to improve empirical generalization. Our pseudo supervisor model is evaluated with two clinical tasks consisting of glaucoma detection and progression forecasting. The progression forecasting task is evaluated both unimodally and multimodally. Our pseudo supervisor model demonstrates superior performance than SOTA SSL comparison models. Moreover, our model also achieves the best results on the publicly available LAG fundus dataset. Second, we introduce the Harvard Glaucoma Detection and Progression (Harvard-GDP) Dataset, a multimodal multitask dataset that includes data from 1,000 patients with OCT imaging data, as well as labels for glaucoma detection and progression. This is the largest glaucoma detection dataset with 3D OCT imaging data and the first glaucoma progression forecasting dataset that is publicly available. Detailed sex and racial analysis are provided, which can be used by interested researchers for fairness learning studies. Our released dataset is benchmarked with several SOTA supervised CNN and transformer deep learning models. The dataset and code are made publicly available via https://ophai.hms.harvard.edu/datasets/harvard-gdp1000.

Training stable biological foundation models requires rethinking attention mechanisms: we find that using sigmoid attention as a drop in replacement for softmax attention a) produces better learned representations: on six diverse single-cell datasets, sigmoid achieves 25% higher cell-type separation, better cell-type cohesion metrics, and lower validation loss, b) faster training, models with sigmoid attention train up to 10% faster than their softmax counterparts, and c) more stable training by eliminating inherent sources of instability in softmax attention. We establish that sigmoid attention has globally bounded derivatives (leq 0.25) as opposed to softmax, and a diagonal Jacobian structure in contrast with softmax's dense coupling, which together help alleviate training instabilities. In stress tests on 160M-parameter bidirectional attention models trained without gradient clipping on 8K-token sequences, softmax diverges catastrophically, with gradients exploding by four orders of magnitude, while sigmoid remains stable. Finally, we implement and open-source TritonSigmoid, an efficient GPU kernel that achieves 515 TFLOPS on H100 GPUs, outperforming both FlashAttention-2 and FlashSigmoid, with native padding support, which is essential for biological sequences. Our results establish sigmoid attention as both theoretically grounded and empirically superior for biological foundation models. Code is available at https://github.com/MSDLLCpapers/triton-sigmoid