Non-asymptotic Confidence Intervals of Off-policy Evaluation: Primal and Dual Bounds
Yihao Feng, Ziyang Tang, na zhang, qiang liu
Off-policy evaluation (OPE) is the task of estimating the expected reward of a given policy based on offline data previously collected under different policies. Therefore, OPE is a key step in applying reinforcement learning to real-world domains such as medical treatment, where interactive data collection is expensive or even unsafe. As the observed data tends to be noisy and limited, it is essential to provide rigorous uncertainty quantification, not just a point estimation, when applying OPE to make high stakes decisions. This work considers the problem of constructing non-asymptotic confidence intervals in infinite-horizon off-policy evaluation, which remains a challenging open question. We develop a practical algorithm through a primal-dual optimization-based approach, which leverages the kernel Bellman loss (KBL) of Feng et al. 2019 and a new martingale concentration inequality of KBL applicable to time-dependent data with unknown mixing conditions. Our algorithm makes minimum assumptions on the data and the function class of the Q-function, and works for the behavior-agnostic settings where the data is collected under a mix of arbitrary unknown behavior policies. We present empirical results that clearly demonstrate the advantages of our approach over existing methods.
Generating Adversarial Computer Programs using Optimized Obfuscations
Shashank Srikant, Sijia Liu, Tamara Mitrovska, Shiyu Chang, Quanfu Fan, Gaoyuan Zhang, Una-May O'Reilly
Machine learning (ML) models that learn and predict properties of computer programs are increasingly being adopted and deployed. These models have demonstrated success in applications such as auto-completing code, summarizing large programs, and detecting bugs and malware in programs. In this work, we investigate principled ways to adversarially perturb a computer program to fool such learned models, and thus determine their adversarial robustness. We use program obfuscations, which have conventionally been used to avoid attempts at reverse engineering programs, as adversarial perturbations. These perturbations modify programs in ways that do not alter their functionality but can be crafted to deceive an ML model when making a decision. We provide a general formulation for an adversarial program that allows applying multiple obfuscation transformations to a program in any language. We develop first-order optimization algorithms to efficiently determine two key aspects -- which parts of the program to transform, and what transformations to use. We show that it is important to optimize both these aspects to generate the best adversarially perturbed program. Due to the discrete nature of this problem, we also propose using randomized smoothing to improve the attack loss landscape to ease optimization. We evaluate our work on Python and Java programs on the problem of program summarization. We show that our best attack proposal achieves a improvement over a state-of-the-art attack generation approach for programs trained on a \textsc{seq2seq} model. We further show that our formulation is better at training models that are robust to adversarial attacks.
Analytical Construction on Geometric Architectures: Transitioning from Static to Temporal Link Prediction
Yadong Sun, Xiaofeng Cao, Ivor Tsang, Heng Tao Shen
Static systems exhibit diverse structural properties, such as hierarchical, scale-free, and isotropic patterns, where different geometric spaces offer unique advantages. Methods combining multiple geometries have proven effective in capturing these characteristics. However, real-world systems often evolve dynamically, introducing significant challenges in modeling their temporal changes. To overcome this limitation, we propose a unified cross-geometric learning framework for dynamic systems, which synergistically integrates Euclidean and hyperbolic spaces, aligning embedding spaces with structural properties through fine-grained substructure modeling. Our framework further incorporates a temporal state aggregation mechanism and an evolution-driven optimization objective, enabling comprehensive and adaptive modeling of both nodal and relational dynamics over time. Extensive experiments on diverse real-world dynamic graph datasets highlight the superiority of our approach in capturing complex structural evolution, surpassing existing methods across multiple metrics.
MITIGATING OVER-EXPLORATION IN LATENT SPACE OPTIMIZATION USING LES
Omer Ronen, Ahmed Imtiaz Humayun, Richard Baraniuk, Randall Balestriero, Bin Yu
We develop Latent Exploration Score (LES) to mitigate over-exploration in Latent Space Optimization (LSO), a popular method for solving black-box discrete optimization problems. LSO utilizes continuous optimization within the latent space of a Variational Autoencoder (VAE) and is known to be susceptible to over-exploration, which manifests in unrealistic solutions that reduce its practicality. LES leverages the trained decoder’s approximation of the data distribution, and can be employed with any VAE decoder–including pretrained ones–without additional training, architectural changes or access to the training data. Our evaluation across five LSO benchmark tasks and twenty-two VAE models demonstrates that LES always enhances the quality of the solutions while maintaining high objective values, leading to improvements over existing solutions in most cases. We believe that new avenues to LSO will be opened by LES’ ability to identify out of distribution areas, differentiability, and computational tractability.
Stochastic Optimization in Semi-Discrete Optimal Transport: Convergence Analysis and Minimax Rate
Ferdinand Genans, Antoine Godichon-Baggioni, François-Xavier Vialard, Olivier Wintenberger
We investigate the semi-discrete Optimal Transport (OT) problem, where a continuous source measure is transported to a discrete target measure , with particular attention to the OT map approximation. In this setting, Stochastic Gradient Descent (SGD) based solvers have demonstrated strong empirical performance in recent machine learning applications, yet their theoretical guarantee to approximate the OT map is an open question. In this work, we answer it positively by providing both computational and statistical convergence guarantees of SGD. Specifically, we show that SGD methods can estimate the OT map with a minimax convergence rate of , where is the number of samples drawn from . To establish this result, we study the averaged projected SGD algorithm, and identify a suitable projection set that contains a minimizer of the objective, even when the source measure is not compactly supported. Our analysis holds under mild assumptions on the source measure and applies to MTW cost functions,whic include for . We finally provide numerical evidence for our theoretical results.
Self-Supervised Learning of Motion Concepts by Optimizing Counterfactuals
Stefan Stojanov, David Wendt, Seungwoo Kim, Rahul Venkatesh, Kevin Feigelis, Klemen Kotar, Khai Loong Aw, Jiajun Wu, Daniel Yamins
Estimating motion primitives from video (e.g., optical flow and occlusion) is a critically important computer vision problem with many downstream applications, including controllable video generation and robotics. Current solutions are primarily supervised on synthetic data or require tuning of situation-specific heuristics, which inherently limits these models' capabilities in real-world contexts. A natural solution to transcend these limitations would be to deploy large-scale, self-supervised video models, which can be trained scalably on unrestricted real-world video datasets. However, despite recent progress, motion-primitive extraction from large pretrained video models remains relatively underexplored. In this work, we describe Opt-CWM, a self-supervised flow and occlusion estimation technique from a pretrained video prediction model. Opt-CWM uses ``counterfactual probes'' to extract motion information from a base video model in a zero-shot fashion. The key problem we solve is optimizing the quality of these probes, using a combination of an efficient parameterization of the space counterfactual probes, together with a novel generic sparse-prediction principle for learning the probe-generation parameters in a self-supervised fashion. Opt-CWM achieves state-of-the-art performance for motion estimation on real-world videos while requiring no labeled data.
Enhancing Graph Invariant Learning from a Negative Inference Perspective
Kuo Yang, Zhengyang Zhou, Qihe Huang, Wenjie Du, Limin Li, Wu Jiang, Yang Wang
The out-of-distribution (OOD) generalization challenge is a longstanding problem in graph learning. Through studying the fundamental cause of data distribution shift, i.e., the changes of environments, significant progress has been achieved in addressing this issue. However, we observe that existing works still fail to effectively address complex environment shifts. Existing practices place excessive attention on extracting causal subgraphs, inevitably treating spurious subgraphs as environment variables. While spurious subgraphs are controlled by environments, the space of environment changes encompass more than the scale of spurious subgraphs. Therefore, existing efforts have a limited inference space for environments, leading to failure under severe environment changes. To tackle this issue, we propose a negative inference graph OOD framework (NeGo) to broaden the inference space for environment factors. Inspired by the successful practice of prompt learning in capturing underlying semantics and causal associations in large language models, we design a negative prompt environment inference to extract underlying environment information. We further introduce the environment-enhanced invariant subgraph learning to effectively exploit inferred environment embedding, ensuring the robust extraction of causal subgraph in the environment shifts. Lastly, we conduct a comprehensive evaluation of NeGo on real-world datasets and synthetic datasets across domains. NeGo outperforms baselines on nearly all datasets, which verify the effectiveness of our framework.
OOD-Chameleon: Is Algorithm Selection for OOD Generalization Learnable?
Liangze Jiang, Damien Teney
Out-of-distribution (OOD) generalization is challenging because distribution shifts come in many forms. Numerous algorithms exist to address specific settings, but *choosing the right training algorithm for the right dataset* without trial and error is difficult. Indeed, real-world applications often involve multiple types and combinations of shifts that are hard to analyze theoretically.**Method.** This work explores the possibility of *learning* the selection of a training algorithm for OOD generalization. We propose a proof of concept (OOD-Chameleon) that formulates the selection as a multi-label classification over candidate algorithms, trained on a *dataset of datasets* representing a variety of shifts. We evaluate the ability of OOD-Chameleon to rank algorithms on unseen shifts and datasets based only on dataset characteristics, i.e., without training models first, unlike traditional model selection.**Findings.** Extensive experiments show that the learned selector identifies high-performing algorithms across synthetic, vision, and language tasks. Further inspection shows that it learns non-trivial decision rules, which provide new insights into the applicability of existing algorithms. Overall, this new approach opens the possibility of better exploiting and understanding the plethora of existing algorithms for OOD generalization.
Auto-RT: Automatic Jailbreak Strategy Exploration for Red-Teaming Large Language Models
Yanjiang Liu, Shuheng Zhou, Yaojie Lu, Huijia Zhu, Weiqiang Wang, Hongyu Lin, Ben He, Xianpei Han, Le Sun
Automated red-teaming has emerged as an essential approach for identifying vulnerabilities in large language models (LLMs). However, most existing methods rely on fixed attack templates and focus primarily on individual high-severity flaws,limiting their adaptability to evolving defenses and their ability to detect complex, high-exploitability vulnerabilities. To address these limitations, we propose AUTO-RT, a reinforcement learning framework designed for automatic jailbreak strategy exploration, i.e., discovering diverse and effective prompts capable of bypassing the safety restrictions of LLMs. AUTO-RT autonomously explores and optimizes attack strategies by interacting with the target model and generating crafted queries that trigger security failures. Specifically, AUTO-RT introduces two key techniques to improve exploration efficiency and attack effectiveness: 1) Dynamic Strategy Pruning, which focuses exploration on high-potential strategies by eliminating highly redundant paths early, and 2) Progressive Reward Tracking, which leverages intermediate downgrade models and a novel First Inverse Rate (FIR) metric to smooth sparse rewards and guide learning. Extensive experiments across diverse white-box and black-box LLM settings demonstrate that AUTO-RT significantly improves success rates (by up to 16.63%), expands vulnerability coverage, and accelerates discovery compared to existing methods.
Horizon Imagination: Efficient On-Policy Rollout in Diffusion World Models
Lior Cohen, Ofir Nabati, Kaixin Wang, Navdeep Kumar, Shie Mannor
We study diffusion-based world models for reinforcement learning, which offer high generative fidelity but face critical efficiency challenges in control. Current methods either require heavyweight models at inference or rely on highly sequential imagination, both of which impose prohibitive computational costs. We propose Horizon Imagination (HI), an on-policy imagination process for discrete stochastic policies that denoises multiple future observations in parallel. HI incorporates a stabilization mechanism and a novel sampling schedule that decouples the denoising budget from the effective horizon over which denoising is applied while also supporting sub-frame budgets. Experiments on Atari 100K and Craftium show that our approach maintains control performance with a sub-frame budget of half the denoising steps and achieves superior generation quality under varied schedules. Code is available at https://github.com/leor-c/horizon-imagination.
Revisiting End-to-End Learning with Slide-level Supervision in Computational Pathology
Wenhao Tang, Rong Qin, Heng Fang, Fengtao Zhou, Hao CHEN, Xiang Li, Ming-Ming Cheng
Pre-trained encoders for offline feature extraction followed by multiple instance learning (MIL) aggregators have become the dominant paradigm in computational pathology (CPath), benefiting cancer diagnosis and prognosis. However, performance limitations arise from the absence of encoder fine-tuning for downstream tasks and disjoint optimization with MIL. While slide-level supervised end-to-end (E2E) learning is an intuitive solution to this issue, it faces challenges such as high computational demands and suboptimal results. These limitations motivate us to revisit E2E learning. We argue that prior work neglects inherent E2E optimization challenges, leading to performance disparities compared to traditional two-stage methods. In this paper, we pioneer the elucidation of optimization challenge caused by sparse-attention MIL and propose a novel MIL called ABMILX. ABMILX mitigates this problem through global correlation-based attention refinement and multi-head mechanisms. With the efficient multi-scale random patch sampling strategy, an E2E trained ResNet with ABMILX surpasses SOTA foundation models under the two-stage paradigm across multiple challenging benchmarks, while remaining computationally efficient ( 10 RTX3090 GPU hours). We demonstrate the potential of E2E learning in CPath and calls for greater research focus in this area. The code is https://github.com/DearCaat/E2E-WSI-ABMILX.
Normalizing Flows are Capable Models for Continuous Control
Raj Ghugare, Benjamin Eysenbach
Modern reinforcement learning (RL) algorithms have found success by using powerful probabilistic models, such as transformers, energy-based models, and diffusion/flow-based models. To this end, RL researchers often choose to pay the price of accommodating these models into their algorithms -- diffusion models are expressive, but are computationally intensive due to their reliance on solving differential equations, while autoregressive transformer models are scalable but typically require learning discrete representations. Normalizing flows (NFs), by contrast, seem to provide an appealing alternative, as they enable likelihoods and sampling without solving differential equations or autoregressive architectures. However, their potential in RL has received limited attention, partly due to the prevailing belief that normalizing flows lack sufficient expressivity. We show that this is not the case. Building on recent work in NFs, we propose a single NF architecture which integrates seamlessly into RL algorithms, serving as a policy, Q-function, and occupancy measure. Our approach leads to much simpler algorithms, and achieves higher performance in imitation learning, offline, goal conditioned RL and unsupervised RL.
Computationally Efficient RL under Linear Bellman Completeness for Deterministic Dynamics
Runzhe Wu, Ayush Sekhari, Akshay Krishnamurthy, Wen Sun
We study computationally and statistically efficient Reinforcement Learning algorithms for the *linear Bellman Complete* setting. This setting uses linear function approximation to capture value functions and unifies existing models like linear Markov Decision Processes (MDP) and Linear Quadratic Regulators (LQR). While it is known from the prior works that this setting is statistically tractable, it remained open whether a computationally efficient algorithm exists. Our work provides a computationally efficient algorithm for the linear Bellman complete setting that works for MDPs with large action spaces, random initial states, and random rewards but relies on the underlying dynamics to be deterministic. Our approach is based on randomization: we inject random noise into least squares regression problems to perform optimistic value iteration. Our key technical contribution is to carefully design the noise to only act in the null space of the training data to ensure optimism while circumventing a subtle error amplification issue.
Learning Representations for Hierarchies with Minimal Support
Rozonoyer, Benjamin, Boratko, Michael, Patel, Dhruvesh, Zhao, Wenlong, Dasgupta, Shib, Le, Hung, McCallum, Andrew
When training node embedding models to represent large directed graphs (digraphs), it is impossible to observe all entries of the adjacency matrix during training. As a consequence most methods employ sampling. For very large digraphs, however, this means many (most) entries may be unobserved during training. In general, observing every entry would be necessary to uniquely identify a graph, however if we know the graph has a certain property some entries can be omitted - for example, only half the entries would be required for a symmetric graph. In this work, we develop a novel framework to identify a subset of entries required to uniquely distinguish a graph among all transitively-closed DAGs. We give an explicit algorithm to compute the provably minimal set of entries, and demonstrate empirically that one can train node embedding models with greater efficiency and performance, provided the energy function has an appropriate inductive bias. We achieve robust performance on synthetic hierarchies and a larger real-world taxonomy, observing improved convergence rates in a resource-constrained setting while reducing the set of training examples by as much as 99%.
Concerto: Joint 2D-3D Self-Supervised Learning Emerges Spatial Representations
Yujia Zhang, Xiaoyang Wu, Yixing Lao, Chengyao Wang, Zhuotao Tian, Naiyan Wang, Hengshuang Zhao
Humans learn abstract concepts through multisensory synergy, and once formed, such representations can often be recalled from a single modality. Inspired by this principle, we introduce Concerto, a minimalist simulation of human concept learning for spatial cognition, combining 3D intra-modal self-distillation with 2D-3D cross-modal joint embedding. Despite its simplicity, Concerto learns more coherent and informative spatial features, as demonstrated by zero-shot visualizations. It outperforms both standalone SOTA 2D and 3D self-supervised models by 14.2\% and 4.8\%, respectively, as well as their feature concatenation, in linear probing for 3D scene perception. With full fine-tuning, Concerto sets new SOTA results across multiple scene understanding benchmarks (e.g., 80.7\% mIoU on ScanNet). We further present a variant of Concerto tailored for video-lifted point cloud spatial understanding, and a translator that linearly projects Concerto representations into CLIP’s language space, enabling open-world perception. These results highlight that Concerto emerges spatial representations with superior fine-grained geometric and semantic consistency.
Adaptive Mixture of Disentangled Experts for Dynamic Graph Out-of-Distribution Generalization
Chen Haibo, Xin Wang, Guanheng Chen, Yuan Meng, Haoyang Li, Yang Yao, Zeyang Zhang, Zhiqiang Zhang, JUN ZHOU, Ling Feng, Wenwu Zhu
Dynamic graph out-of-distribution (OOD) generalization has drawn an increasing amount of attention in the research community, given its wide applicability in real-world scenarios. Existing methods typically employ a fixed-architecture design to extract invariant patterns. However, there may exist evolving distribution shifts in dynamic graphs, leading to suboptimal performance of fixed-architecture designs. To address this issue, we propose a novel adaptive-architecture design to handle evolving distribution shifts over time, to the best of our knowledge, for the first time. The proposed adaptive-architecture design introduces an adaptive mixture of architecture experts to capture invariant patterns under evolving distribution shifts, which imposes three challenges: 1) How to detect and characterize evolving distribution shifts to inform architectural decisions; 2) How to dynamically route different expert architectures to handle varying distribution characteristics; 3) How to ensure that the adaptive mixture of experts effectively discovers invariant patterns. To solve these challenges, we propose a novel **Ada**ptive **Mix**ture of Disentangled Experts (**AdaMix**) model to adaptively route architecture experts to varying distribution shifts and jointly learn spatio-temporal invariant patterns. Specifically, we propose a spatio-temporal distribution detector to infer evolving distribution shifts by jointly leveraging historical and current information. Building upon this, we develop a prototype-guided mixture of disentangled experts that adaptively routes experts with disentangled factors to different distribution shifts. Finally, we design a distribution-aware intervention mechanism that discovers invariant patterns based on expert selection of nodes. Extensive experiments on both synthetic and real-world datasets demonstrate that our proposed **AdaMix** model significantly outperforms state-of-the-art baselines.
PEINR: A Physics-enhanced Implicit Neural Representation for High-Fidelity Flow Field Reconstruction
Liming Shen, Liang Deng, Chongke Bi, Yu Wang, Xinhai Chen, Yueqing Wang, Jie Liu
Implicit neural representation (INR) has now been thrust into the limelight with its flexibility in high-fidelity flow field reconstruction tasks. However, the lack of standard benchmarking datasets and the grid independence assumption for INR-based methods hinder progress and adoption in real-world simulation scenarios. Moreover, naive adoptions of existing INR frameworks suffer from limited accuracy in capturing fine-scale structures and spatiotemporal dynamics. Tacking these issues, we first introduce HFR-Beach, a 5.4 TB public large-scale CFD dataset with 33,600 unsteady 2D and 3D vector fields for reconstructing high-fidelity flow fields. We further present PEINR, a physics-enhanced INR framework, to enrich the flow fields by concurrently enhancing numerical-precision and grid-resolution. Specifically, PEINR is mainly composed of physical encoding and transformer-based spatiotemporal fuser (TransSTF). Physical encoding decouples temporal and spatial components, employing Gaussian coordinate encoding and localized encoding techniques to capture the nonlinear characteristics of spatiotemporal dynamics and the stencil discretization of spatial dimensions, respectively. TransSTF fuses both spatial and temporal information via transformer for capturing long-range temporal dependencies. Qualitative and quantitative experiments and demonstrate that PEINR outperforms state-of-the-art INR-based methods in reconstruction quality.
VADTree: Explainable Training-Free Video Anomaly Detection via Hierarchical Granularity-Aware Tree
Wenlong Li, Yifei Xu, Yuan Rao, Zhenhua Wang, Shuiguang Deng
Video anomaly detection (VAD) focuses on identifying anomalies in videos. Su- pervised methods demand substantial in-domain training data and fail to deliver clear explanations for anomalies. In contrast, training-free methods leverage the knowledge reserves and language interactivity of large pre-trained models to detect anomalies. However, the current fixed-length temporal window sam- pling approaches struggle to accurately capture anomalies with varying temporal spans. Therefore, we propose VADTree that utilizes a Hierarchical Granularity- aware Tree (HGTree) structure for flexible sampling in VAD. VADTree leverages the knowledge embedded in a pre-trained Generic Event Boundary Detection (GEBD) model to characterize potential anomaly event boundaries. Specifically, VADTree decomposes the video into generic event nodes based on boundary confidence, and performs adaptive coarse-fine hierarchical structuring and re- dundancy removal to construct the HGTree. Then, the multi-dimensional priors are injected into the visual language models (VLMs) to enhance the node-wise anomaly perception, and anomaly reasoning for generic event nodes is achieved via large language models (LLMs). Finally, an inter-cluster node correlation method is used to integrate the multi-granularity anomaly scores. Extensive experiments on three challenging datasets demonstrate that VADTree achieves state-of-the-art performance in training-free settings while drastically reducing the number of sampled video segments. The code will be available at https: //github.com/wenlongli10/VADTree.
On the Convergence of Adaptive Gradient Methods for Nonconvex Optimization
Quanquan Gu, Jinghui Chen, Yuan Cao, Ziyan Yang, Dongruo Zhou
Adaptive gradient methods are workhorses in deep learning. However, the convergence guarantees of adaptive gradient methods for nonconvex optimization have not been thoroughly studied. In this paper, we provide a fine-grained convergence analysis for a general class of adaptive gradient methods including AMSGrad, RMSProp and AdaGrad. For smooth nonconvex functions, we prove that adaptive gradient methods in expectation converge to a first-order stationary point. Our convergence rate is better than existing results for adaptive gradient methods in terms of dimension. In addition, we also prove high probability bounds on the convergence rates of AMSGrad, RMSProp as well as AdaGrad, which have not been established before. Our analyses shed light on better understanding the mechanism behind adaptive gradient methods in optimizing nonconvex objectives.
Universal Causal Inference in a Topos
Sridhar Mahadevan
In this paper, we explore the universal properties underlying causal inference by formulating it in terms of a topos. More concretely, we introduce topos causal models (TCMs), a strict generalization of the popular structural causal models (SCMs). A topos category has several properties that make it attractive: a general theory for how to combine local functions that define ``independent causal mechanisms" into a consistent global function building on the theory of sheaves in a topos; a generic way to define causal interventions using a subobject classifier in a topos category; and finally, an internal logical language for causal and counterfactual reasoning that emerges from the topos itself. A striking characteristic of subobject classifiers is that they induce an intuitionistic logic, whose semantics is based on the partially ordered lattice of subobjects. We show that the underlying subobject classifier for causal inference is not Boolean in general, but forms a Heyting algebra. We define the internal Mitchell-B\'enabou language, a typed local set theory, associated with causal models, and its associated Kripke-Joyal intuitionistic semantics. We prove a universal property of TCM, namely that any causal functor mapping decomposable structure to probabilistic semantics factors uniquely through a TCM representation.
BrainFlow: A Holistic Pathway of Dynamic Neural System on Manifold
Zhixuan Zhou, Tingting Dan, Guorong Wu
A fundamental challenge in cognitive neuroscience is understanding how cognition emerges from the interplay between structural connectivity (SC) and dynamic functional connectivity (FC) in the brain. Network neuroscience has emerged as a powerful framework to understand brain function through a holistic perspective on structure-function relationships. In this context, current machine learning approaches typically seek to establish direct mappings between structural connectivity (SC) and functional connectivity (FC) associated with specific cognitive states. However, these state-independent methods often yield inconsistent results due to overlapping brain networks across cognitive states. To address this limitation, we conceptualize to uncover the dendritic coupling mechanism between one static SC and multiple FCs by solving a flow problem that bridges the distribution of SC to a mixed distribution of FCs, conditioned on various cognitive states, along a Riemannian manifold of symmetric positive-definite (SPD) manifold. We further prove the equivalence between flow matching on the SPD manifold and on the computationally efficient Cholesky manifold. Since a spare of functional connections is shared across cognitive states, we introduce the notion of consensus control to promote the shared kinetic structures between multiple FC-to-SC pathways via synchronized coordination, yielding a biologically meaningful underpinning on SC-FC coupling mechanism. Together, we present BrainFlow, a reversible generative model that achieves state-of-the-art performance on not only synthetic data but also large-scale neuroimaging datasets from UK Biobank and Human Connectome Project.
Kona: An Efficient Privacy-Preservation Framework for KNN Classification by Communication Optimization
Guopeng Lin, Ruisheng Zhou, Shuyu Chen, Weili Han, Jin Tan, Wenjing Fang, Lei Wang, Tao Wei
K-nearest neighbors (KNN) classification plays a significant role in various applications due to its interpretability. The accuracy of KNN classification relies heavily on large amounts of high-quality data, which are often distributed among different parties and contain sensitive information. Dozens of privacy-preserving frameworks have been proposed for performing KNN classification with data from different parties while preserving data privacy. However, existing privacy-preserving frameworks for KNN classification demonstrate communication inefficiency in the online phase due to two main issues: (1) They suffer from huge communication size for secure Euclidean square distance computations. (2) They require numerous communication rounds to select the nearest neighbors. In this paper, we present , an efficient privacy-preserving framework for KNN classification. We resolve the above communication issues by (1) designing novel Euclidean triples, which eliminate the online communication for secure Euclidean square distance computations, (2) proposing a divide-and-conquer bubble protocol, which significantly reduces communication rounds for selecting the nearest neighbors. Experimental results on eight real-world datasets demonstrate that significantly outperforms the state-of-the-art framework by in communication size, in communication rounds, and in runtime.
Q-Adapter: Customizing Pre-trained LLMs to New Preferences with Forgetting Mitigation
Yi-Chen Li, Fuxiang Zhang, Wenjie Qiu, Lei Yuan, Chengxing Jia, Zongzhang Zhang, Yang Yu, Bo An
Large Language Models (LLMs), trained on a large amount of corpus, have demonstrated remarkable abilities. However, it may not be sufficient to directly apply open-source LLMs like Llama to certain real-world scenarios, since most of them are trained for \emph{general} purposes. Thus, the demands for customizing publicly available LLMs emerge, but are currently under-studied. In this work, we consider customizing pre-trained LLMs with new human preferences. Specifically, the LLM should not only meet the new preference but also preserve its original capabilities after customization. Drawing inspiration from the observation that human preference can be expressed as a reward model, we propose to cast LLM customization as optimizing the sum of two reward functions, one of which (denoted as ) was used to pre-train the LLM while the other (denoted as ) characterizes the new human preference. The obstacle here is that both reward functions are unknown, making the application of modern reinforcement learning methods infeasible. Thanks to the residual Q-learning framework, we can restore the customized LLM with the pre-trained LLM and the \emph{residual Q-function} without the reward function . Moreover, we find that for a fixed pre-trained LLM, the reward function can be derived from the residual Q-function, enabling us to directly learn the residual Q-function from the new human preference data upon the Bradley-Terry model. We name our method Q-Adapter as it introduces an adapter module to approximate the residual Q-function for customizing the pre-trained LLM towards the new preference. Experiments based on the Llama-3.1 model on the DSP dataset and HH-RLHF dataset illustrate the superior effectiveness of Q-Adapter on both retaining existing knowledge and learning new preferences. Our code is available at \url{https://github.com/LAMDA-RL/Q-Adapter}.
Learning Regularized Graphon Mean-Field Games with Unknown Graphons
Fengzhuo Zhang, Vincent Tan, Zhaoran Wang, Zhuoran Yang
We design and analyze reinforcement learning algorithms for Graphon Mean-Field Games (GMFGs). In contrast to previous works that require the precise values of the graphons, we aim to learn the Nash Equilibrium (NE) of the regularized GMFGs when the graphons are unknown. Our contributions are threefold. First, we propose the Proximal Policy Optimization for GMFG (GMFG-PPO) algorithm and show that it converges at a rate of after iterations with an estimation oracle, improving on a previous work by Xie et al. (ICML, 2021). Second, using kernel embedding of distributions, we design efficient algorithms to estimate the transition kernels, reward functions, and graphons from sampled agents. Convergence rates are then derived when the positions of the agents are either known or unknown. Results for the combination of the optimization algorithm GMFG-PPO and the estimation algorithm are then provided. These algorithms are the first specifically designed for learning graphons from sampled agents. Finally, the efficacy of the proposed algorithms are corroborated through simulations. These simulations demonstrate that learning the unknown graphons reduces the exploitability effectively.
Structured Initialization for Vision Transformers
Jianqiao Zheng, Xueqian Li, Hemanth Saratchandran, Simon Lucey
Convolutional Neural Networks (CNNs) inherently encode strong inductive biases, enabling effective generalization on small-scale datasets. In this paper, we propose integrating this inductive bias into ViTs, not through an architectural intervention but solely through initialization. The motivation here is to have a ViT that can enjoy strong CNN-like performance when data assets are small, but can still scale to ViT-like performance as the data expands. Our approach is motivated by our empirical results that random impulse filters can achieve commensurate performance to learned filters within a CNN. We improve upon current ViT initialization strategies, which typically rely on empirical heuristics such as using attention weights from pretrained models or focusing on the distribution of attention weights without enforcing structures. Empirical results demonstrate that our method significantly outperforms standard ViT initialization across numerous small and medium-scale benchmarks, including Food-101, CIFAR-10, CIFAR-100, STL-10, Flowers, and Pets, while maintaining comparative performance on large-scale datasets such as ImageNet-1K. Moreover, our initialization strategy can be easily integrated into various transformer-based architectures such as Swin Transformer and MLP-Mixer with consistent improvements in performance.
Self-Boost via Optimal Retraining: An Analysis via Approximate Message Passing
Adel Javanmard, Rudrajit Das, Alessandro Epasto, Vahab Mirrokni
Retraining a model using its own predictions together with the original, potentially noisy labels is a well-known strategy for improving the model’s performance. While prior works have demonstrated the benefits of specific heuristic retraining schemes, the question of how to optimally combine the model's predictions and the provided labels remains largely open. This paper addresses this fundamental question for binary classification tasks. We develop a principled framework based on approximate message passing (AMP) to analyze iterative retraining procedures for two ground truth settings: Gaussian mixture model (GMM) and generalized linear model (GLM). Our main contribution is the derivation of the Bayes optimal aggregator function to combine the current model's predictions and the given labels, which when used to retrain the same model, minimizes its prediction error. We also quantify the performance of this optimal retraining strategy over multiple rounds. We complement our theoretical results by proposing a practically usable version of the theoretically-optimal aggregator function and demonstrate its superiority over baseline methods under different label noise models.
Improving Context-Aware Preference Modeling for Language Models
Pitis, Silviu, Xiao, Ziang, Le Roux, Nicolas, Sordoni, Alessandro
While finetuning language models from pairwise preferences has proven remarkably effective, the underspecified nature of natural language presents critical challenges. Direct preference feedback is uninterpretable, difficult to provide where multidimensional criteria may apply, and often inconsistent, either because it is based on incomplete instructions or provided by diverse principals. To address these challenges, we consider the two-step preference modeling procedure that first resolves the under-specification by selecting a context, and then evaluates preference with respect to the chosen context. We decompose reward modeling error according to these two steps, which suggests that supervising context in addition to context-specific preference may be a viable approach to aligning models with diverse human preferences. For this to work, the ability of models to evaluate context-specific preference is critical. To this end, we contribute context-conditioned preference datasets and accompanying experiments that investigate the ability of language models to evaluate context-specific preference. Unlike past datasets, where context-specific preference is highly correlated with general preference, our "preference reversal" datasets disentangle context-specific and general preferences to isolate context-specific capabilities. We use our datasets to (1) show that existing preference models benefit from, but fail to fully consider, added context, (2) finetune a context-aware reward model with context-specific performance exceeding that of GPT-4 and Llama 3 70B, and (3) investigate the potential value of context-aware preference modeling.
Learning Configurations for Data-Driven Multi-Objective Optimization
Zhiyang Chen, Hailong Yao, Xia Yin
Multi-objective optimization problems arise widely in various fields. In practice, multi-objective optimization is generally solved by heuristics with tunable parameters that are highly application-specific. Tuning parameters based on real-world instances (a.k.a. algorithm configuration) are generally empirical without theoretical guarantees. In this work, we establish the theoretical foundation of data-driven multi-objective optimization through the lens of machine learning theory. We provide generalization guarantees on selecting parameters for multi-objective optimization algorithms based on sampled problem instances. Moreover, if the performance metric of the algorithm is the Pareto volume, we can PAC-learn the approximately optimal configuration in polynomial time. We apply our framework to various algorithms, including approximation algorithms, local search, and linear programming. Experiments on multiple problems verify our theoretical findings.
RB-Modulation: Training-Free Stylization using Reference-Based Modulation
Litu Rout, Yujia Chen, Nataniel Ruiz, Abhishek Kumar, Constantine Caramanis, Sanjay Shakkottai, Wen-Sheng Chu
We propose Reference-Based Modulation (RB-Modulation), a new plug-and-play solution for training-free personalization of diffusion models.Existing training-free approaches exhibit difficulties in (a) style extraction from reference images in the absence of additional style or content text descriptions, (b) unwanted content leakage from reference style images, and (c) effective composition of style and content. RB-Modulation is built on a novel stochastic optimal controller where a style descriptor encodes the desired attributes through a terminal cost. The resulting drift not only overcomes the difficulties above, but also ensures high fidelity to the reference style and adheres to the given text prompt. We also introduce a cross-attention-based feature aggregation scheme that allows RB-Modulation to decouple content and style from the reference image.With theoretical justification and empirical evidence, our test-time optimization framework demonstrates precise extraction and control of *content* and *style* in a training-free manner. Further, our method allows a seamless composition of content and style, which marks a departure from the dependency on external adapters or ControlNets. See project page: https://rb-modulation.github.io/ for code and further details.
Can LLMs Refuse Questions They Do Not Know? Measuring Knowledge-Aware Refusal in Factual Tasks
Wenbo Pan, Jie Xu, Qiguang Chen, Junhao Dong, Libo Qin, Xinfeng Li, Yu Haining, Xiaohua Jia
Large Language Models (LLMs) should refuse to answer questions beyond their knowledge. This capability, which we term knowledge-aware refusal, is crucial for factual reliability, while existing metrics fail to capture this ability. In this work, we propose the Refusal Index (RI), a novel and principled metric that measures how accurately LLMs refuse questions they do not know. We define RI as Spearman's rank correlation between refusal probability and error probability. RI is practically measurable with a lightweight two-pass evaluation method which only require observed refusal rates across two standard evaluation runs. Extensive experiments across 16 models and 5 datasets demonstrate that RI accurately quantifies a model's knowledge-aware refusal capability. Notably, RI remains stable across different refusal rates and provides consistent model rankings independent of a model's overall accuracy and refusal rates. These properties suggest RI captures a stable, intrinsic aspect of model knowledge calibration. More importantly, RI provides insight into an important but previously overlooked aspect of LLM factuality: while LLMs achieve high accuracy on factual tasks, their refusal behavior can be unreliable and fragile.
GmNet: Revisiting Gating Mechanisms From A Frequency View
Yifan Wang, Xu Ma, Yitian Zhang, Yizhou Wang, Zhongruo Wang, Sung-Cheol Kim, Vahid Mirjalili, Vidya Renganathan, Yun Fu
Lightweight neural networks, essential for on-device applications, often suffer from a low-frequency bias due to their constrained capacity and depth. This limits their ability to capture the fine-grained, high-frequency details (e.g., textures, edges) that are crucial for complex computer vision tasks. To address this fundamental limitation, we perform the first systematic analysis of gating mechanisms from a frequency perspective. Inspired by the convolution theorem, we show how the interplay between element-wise multiplication and non-linear activation functions within Gated Linear Units (GLUs) provides a powerful mechanism to selectively amplify high-frequency signals, thereby enriching the model's feature representations. Based on these findings, we introduce the Gating Mechanism Network (GmNet), a simple yet highly effective architecture that incorporates our frequency-aware gating principles into a standard lightweight backbone. The efficacy of our approach is remarkable: without relying on complex training strategies or architectural search, GmNet achieves a new state-of-the-art for efficient models.
Doubly Robust Fusion of Many Treatments for Policy Learning
Ke Zhu, Jianing Chu, Ilya Lipkovich, Wenyu Ye, Shu Yang
Individualized treatment rules/recommendations (ITRs) aim to improve patient outcomes by tailoring treatments to the characteristics of each individual. However, in high-dimensional treatment settings, existing methods face significant challenges due to data sparsity within treatment groups and highly unbalanced covariate distributions across groups. To address these challenges, we propose a novel calibration-weighted treatment fusion procedure that robustly balances covariates across treatment groups and fuses similar treatments using a penalized working model. The fusion procedure ensures the recovery of latent treatment group structures when either the calibration model or the outcome model is correctly specified. In the fused treatment space, practitioners can seamlessly apply state-of-the-art ITR learning methods with the flexibility to utilize a subset of covariates, thereby achieving robustness while addressing practical concerns such as fairness. We establish theoretical guarantees, including consistency, the oracle property of treatment fusion, and regret bounds when integrated with multi-armed ITR learning methods such as policy trees. Simulation studies show superior group recovery and policy value compared to existing approaches. We illustrate the practical utility of our method using EHR-derived data from patients with Chronic Lymphocytic Leukemia and Small Lymphocytic Lymphoma.
LaMPlace: Learning to Optimize Cross-Stage Metrics in Macro Placement
Zijie Geng, Jie Wang, Ziyan Liu, Siyuan Xu, Zhentao Tang, Shixiong Kai, Mingxuan Yuan, Jianye HAO, Feng Wu
Machine learning techniques have shown great potential in enhancing macro placement, a critical stage in modern chip design.However, existing methods primarily focus on *online* optimization of *intermediate surrogate metrics* that are available at the current placement stage, rather than directly targeting the *cross-stage metrics*---such as the timing performance---that measure the final chip quality.This is mainly because of the high computational costs associated with performing post-placement stages for evaluating such metrics, making the *online* optimization impractical.Consequently, these optimizations struggle to align with actual performance improvements and can even lead to severe manufacturing issues.To bridge this gap, we propose **LaMPlace**, which **L**earns **a** **M**ask for optimizing cross-stage metrics in macro placement.Specifically, LaMPlace trains a predictor on *offline* data to estimate these *cross-stage metrics* and then leverages the predictor to quickly generate a mask, i.e., a pixel-level feature map that quantifies the impact of placing a macro in each chip grid location on the design metrics.This mask essentially acts as a fast evaluator, enabling placement decisions based on *cross-stage metrics* rather than *intermediate surrogate metrics*.Experiments on commonly used benchmarks demonstrate that LaMPlace significantly improves the chip quality across several key design metrics, achieving an average improvement of 9.6\%, notably 43.0\% and 30.4\% in terms of WNS and TNS, respectively, which are two crucial cross-stage metrics that reflect the final chip quality in terms of the timing performance.
Revitalizing SVD for Global Covariance Pooling: Halley’s Method to Overcome Over-Flattening
Jiawei Gu, Ziyue Qiao, Xinming Li, Zechao Li
Global Covariance Pooling (GCP) has garnered increasing attention in visual recognition tasks, where second-order statistics frequently yield stronger representations than first-order approaches. However, two main streams of GCP---Newton--Schulz-based iSQRT-COV and exact or near-exact SVD methods---struggle at opposite ends of the training spectrum. While iSQRT-COV stabilizes early learning by avoiding large gradient explosions, it over-compresses significant eigenvalues in later stages, causing an \emph{over-flattening} phenomenon that stalls final accuracy. In contrast, SVD-based methods excel at preserving the high-eigenvalue structure essential for deep networks but suffer from sensitivity to small eigenvalue gaps early on. We propose \textbf{Halley-SVD}, a high-order iterative method that unites the smooth gradient advantages of iSQRT-COV with the late-stage fidelity of SVD. Grounded in Halley's iteration, our approach obviates explicit divisions by and forgoes threshold- or polynomial-based heuristics. As a result, it prevents both early gradient explosions and the excessive compression of large eigenvalues. Extensive experiments on CNNs and transformer architectures show that Halley-SVD consistently and robustly outperforms iSQRT-COV at large model scales and batch sizes, achieving higher overall accuracy without mid-training switches or custom truncations. This work provides a new solution to the long-standing dichotomy in GCP, illustrating how high-order methods can balance robustness and spectral precision to fully harness the representational power of modern deep networks.
Interchangeable Token Embeddings for Extendable Vocabulary and Alpha-Equivalence
İlker Işık, Ramazan Gokberk Cinbis, Ebru Gol
Language models lack the notion of interchangeable tokens: symbols that are semantically equivalent yet distinct, such as bound variables in formal logic. This limitation prevents generalization to larger vocabularies and hinders the model's ability to recognize alpha-equivalence, where renaming bound variables preserves meaning. We formalize this machine learning problem and introduce alpha-covariance, a metric for evaluating robustness to such transformations. To tackle this task, we propose a dual-part token embedding strategy: a shared component ensures semantic consistency, while a randomized component maintains token distinguishability. Compared to a baseline that relies on alpha-renaming for data augmentation, our approach demonstrates improved generalization to unseen tokens in linear temporal logic solving, propositional logic assignment prediction, and copying with an extendable vocabulary, while introducing a favorable inductive bias for alpha-equivalence. Our findings establish a foundation for designing language models that can learn interchangeable token representations, a crucial step toward more flexible and systematic reasoning in formal domains. Our code and project page are available at https://necrashter.github.io/interchangeable-token-embeddings
SlimLLM: Accurate Structured Pruning for Large Language Models
Jialong Guo, Xinghao Chen, Yehui Tang, Yunhe Wang
Large language models(LLMs) have garnered significant attention and demonstrated impressive capabilities in a wide range of applications. However, due to their enormous computational costs, the deployment and application of LLMs are often severely limited. To address this issue, structured pruning is an effective solution to compress the parameters of LLMs. Determining the importance of each sub-module in LLMs and minimizing performance loss are critical issues that need to be carefully addressed in structured pruning. In this paper, we propose an effective and fast structured pruning method named SlimLLM for large language models. For channel and attention head pruning, we evaluate the importance based on the entire channel or head, rather than merely aggregating the importance of individual elements within a sub-module. This approach enables a more holistic consideration of the interdependence among elements within the sub-module. In addition, we design a simple linear regression strategy for the output matrix to quickly recover performance. We also propose layer-based importance ratio to determine the pruning ratio for each layer. Based on the LLaMA benchmark results, our SlimLLM outperforms other methods and achieves state-of-the-art performance.
Unintentional Unalignment: Likelihood Displacement in Direct Preference Optimization
Noam Razin, Sadhika Malladi, Adithya Bhaskar, Danqi Chen, Sanjeev Arora, Boris Hanin
Direct Preference Optimization (DPO) and its variants are increasingly used for aligning language models with human preferences. Although these methods are designed to teach a model to generate preferred responses more frequently relative to dispreferred responses, prior work has observed that the likelihood of preferred responses often decreases during training. The current work sheds light on the causes and implications of this counterintuitive phenomenon, which we term *likelihood displacement*. We demonstrate that likelihood displacement can be *catastrophic*, shifting probability mass from preferred responses to responses with an opposite meaning. As a simple example, training a model to prefer over can sharply increase the probability of . Moreover, when aligning the model to refuse unsafe prompts, we show that such displacement can *unintentionally lead to unalignment*, by shifting probability mass from preferred refusal responses to harmful responses (e.g., reducing the refusal rate of Llama-3-8B-Instruct from 74.4% to 33.4%). We theoretically characterize that likelihood displacement is driven by preferences that induce similar embeddings, as measured by a *centered hidden embedding similarity (CHES)* score. Empirically, the CHES score enables identifying which training samples contribute most to likelihood displacement in a given dataset. Filtering out these samples effectively mitigated unintentional unalignment in our experiments. More broadly, our results highlight the importance of curating data with sufficiently distinct preferences, for which we believe the CHES score may prove valuable.
Calibration tests beyond classification
David Widmann, Fredrik Lindsten, Dave Zachariah
Most supervised machine learning tasks are subject to irreducible prediction errors. Probabilistic predictive models address this limitation by providing probability distributions that represent a belief over plausible targets, rather than point estimates. Such models can be a valuable tool in decision-making under uncertainty, provided that the model output is meaningful and interpretable. Calibrated models guarantee that the probabilistic predictions are neither over- nor under-confident. In the machine learning literature, different measures and statistical tests have been proposed and studied for evaluating the calibration of classification models. For regression problems, however, research has been focused on a weaker condition of calibration based on predicted quantiles for real-valued targets. In this paper, we propose the first framework that unifies calibration evaluation and tests for general probabilistic predictive models. It applies to any such model, including classification and regression models of arbitrary dimension. Furthermore, the framework generalizes existing measures and provides a more intuitive reformulation of a recently proposed framework for calibration in multi-class classification. In particular, we reformulate and generalize the kernel calibration error, its estimators, and hypothesis tests using scalar-valued kernels, and evaluate the calibration of real-valued regression problems.
Measuring Massive Multitask Language Understanding
Dan Hendrycks, Collin Burns, Steven Basart, Andy Zou, Mantas Mazeika, Dawn Song, Jacob Steinhardt
We propose a new test to measure a text model's multitask accuracy. The test covers 57 tasks including elementary mathematics, US history, computer science, law, and more. To attain high accuracy on this test, models must possess extensive world knowledge and problem solving ability. We find that while most recent models have near random-chance accuracy, the very largest GPT-3 model improves over random chance by almost 20 percentage points on average. However, on every one of the 57 tasks, the best models still need substantial improvements before they can reach expert-level accuracy. Models also have lopsided performance and frequently do not know when they are wrong. Worse, they still have near-random accuracy on some socially important subjects such as morality and law. By comprehensively evaluating the breadth and depth of a model's academic and professional understanding, our test can be used to analyze models across many tasks and to identify important shortcomings.
The Surprising Effectiveness of Negative Reinforcement in LLM Reasoning
Xinyu Zhu, Mengzhou Xia, Zhepei Wei, Wei-Lin Chen, Danqi Chen, Yu Meng
Reinforcement learning with verifiable rewards (RLVR) is a promising approach for training language models (LMs) on reasoning tasks that elicit emergent long chains of thought (CoTs). Unlike supervised learning, it updates the model using both correct and incorrect samples via policy gradients. To better understand its mechanism, we decompose the learning signal into reinforcing correct responses and penalizing incorrect ones, referred to as **P**ositive and **N**egative **S**ample **R**einforcement (**PSR** and **NSR**), respectively. We train `Qwen2.5-Math-7B`, `Qwen3-4B` and `Llama-3.1-8B-Instruct` on a mathematical reasoning dataset and uncover a surprising result: training with only negative samples — without reinforcing correct responses — can be highly effective: it consistently improves performance over the base model across the entire Pass@ spectrum up to 256), often matching or surpassing PPO and GRPO. In contrast, reinforcing only correct responses improves Pass@1 but degrades performance at higher , due to reduced diversity. These inference-scaling trends highlight that solely penalizing incorrect responses may contribute more to performance than previously recognized. Through gradient analysis, we show that NSR works by suppressing incorrect generations and redistributing probability mass toward other plausible candidates, guided by the model's prior beliefs. It refines the model's existing knowledge rather than introducing entirely new behaviors. Building on this insight, we propose a simple variant of the RL objective that upweights NSR, and show that it consistently improves overall Pass@ performance on MATH, AIME 2025, and AMC23. Our code is available at [`https://github.com/TianHongZXY/RLVR-Decomposed`](https://github.com/TianHongZXY/RLVR-Decomposed).
MoORE: SVD-based Model MoE-ization for Conflict- and Oblivion-Resistant Multi-Task Adaptation
Shen Yuan, Yin Zheng, Taifeng Wang, BINBINLIU, Hongteng Xu
Adapting large-scale foundation models in multi-task scenarios often suffers from task conflict and oblivion. To mitigate such issues, we propose a novel "model MoE-ization" strategy that leads to a conflict- and oblivion-resistant multi-task adaptation method. Given a weight matrix of a pre-trained model, our method applies SVD to it and introduces a learnable router to adjust its singular values based on tasks and samples. Accordingly, the weight matrix becomes a Mixture of Orthogonal Rank-one Experts (MoORE), in which each expert corresponds to the outer product of a left singular vector and the corresponding right one. We can improve the model capacity by imposing a learnable orthogonal transform on the right singular vectors. Unlike low-rank adaptation (LoRA) and its MoE-driven variants, MoORE guarantees the experts' orthogonality and maintains the column space of the original weight matrix. These two properties make the adapted model resistant to the conflicts among the new tasks and the oblivion of its original tasks, respectively. Experiments on various datasets demonstrate that MoORE outperforms existing multi-task adaptation methods consistently, showing its superiority in terms of conflict- and oblivion-resistance. The code is available at https://github.com/DaShenZi721/MoORE.
Exploring the Uncertainty Properties of Neural Networks’ Implicit Priors in the Infinite-Width Limit
Ben Adlam, Jaehoon Lee, Lechao Xiao, Jeffrey Pennington, Jasper Snoek
Modern deep learning models have achieved great success in predictive accuracy for many data modalities. However, their application to many real-world tasks is restricted by poor uncertainty estimates, such as overconfidence on out-of-distribution (OOD) data and ungraceful failing under distributional shift. Previous benchmarks have found that ensembles of neural networks (NNs) are typically the best calibrated models on OOD data. Inspired by this, we leverage recent theoretical advances that characterize the function-space prior of an infinitely-wide NN as a Gaussian process, termed the neural network Gaussian process (NNGP). We use the NNGP with a softmax link function to build a probabilistic model for multi-class classification and marginalize over the latent Gaussian outputs to sample from the posterior. This gives us a better understanding of the implicit prior NNs place on function space and allows a direct comparison of the calibration of the NNGP and its finite-width analogue. We also examine the calibration of previous approaches to classification with the NNGP, which treat classification problems as regression to the one-hot labels. In this case the Bayesian posterior is exact, and we compare several heuristics to generate a categorical distribution over classes. We find these methods are well calibrated under distributional shift. Finally, we consider an infinite-width final layer in conjunction with a pre-trained embedding. This replicates the important practical use case of transfer learning and allows scaling to significantly larger datasets. As well as achieving competitive predictive accuracy, this approach is better calibrated than its finite width analogue.
Gradient Descent on Neural Networks Typically Occurs at the Edge of Stability
Jeremy Cohen, Simran Kaur, Yuanzhi Li, J Zico Kolter, Ameet Talwalkar
We empirically demonstrate that full-batch gradient descent on neural network training objectives typically operates in a regime we call the Edge of Stability. In this regime, the maximum eigenvalue of the training loss Hessian hovers just above the value , and the training loss behaves non-monotonically over short timescales, yet consistently decreases over long timescales. Since this behavior is inconsistent with several widespread presumptions in the field of optimization, our findings raise questions as to whether these presumptions are relevant to neural network training. We hope that our findings will inspire future efforts aimed at rigorously understanding optimization at the Edge of Stability.
REOrdering Patches Improves Vision Models
Declan Kutscher, David Chan, Yutong Bai, Trevor Darrell, Ritwik Gupta
Sequence models such as transformers require inputs to be represented as one-dimensional sequences. In vision, this typically involves flattening images using a fixed row-major (raster-scan) order. While full self-attention is permutation-equivariant, modern long-sequence transformers increasingly rely on architectural approximations that break this invariance and introduce sensitivity to patch ordering. We show that patch order significantly affects model performance in such settings, with simple alternatives like column-major or Hilbert curves yielding notable accuracy shifts. Motivated by this, we propose _REOrder_, a two-stage framework for discovering task-optimal patch orderings. First, we derive an information-theoretic prior by evaluating the compressibility of various patch sequences. Then, we learn a policy over permutations by optimizing a Plackett-Luce policy using REINFORCE. This approach enables efficient learning in a combinatorial permutation space. _REOrder_ improves top-1 accuracy over row-major ordering on ImageNet-1K by up to 3.01% and Functional Map of the World by 13.35%.
Uncertainty-driven Embedding Convolution
Sungjun Lim, Kangjun Noh, Youngjun Choi, Heeyoung Lee, Kyungwoo Song
Text embeddings are essential components in modern NLP pipelines. Although numerous embedding models have been proposed, no single model consistently dominates across domains and tasks. This variability motivates the use of ensemble techniques to combine complementary strengths. However, most existing ensemble methods operate on deterministic embeddings and fail to account for model-specific uncertainty, limiting their robustness and reliability in downstream applications. To address these limitations, we propose Uncertainty-driven Embedding Convolution (UEC). UEC first transforms deterministic embeddings into probabilistic ones in a post-hoc manner. It then computes adaptive ensemble coefficients based on embedding uncertainty, derived from a principled surrogate-loss formulation. Additionally, UEC employs an uncertainty-aware similarity function that directly incorporates uncertainty into the similarity scoring, providing a theoretically grounded and efficient surrogate to distributional distances. Extensive experiments on diverse benchmarks demonstrate that UEC consistently improves both performance and robustness by leveraging principled uncertainty modeling.
Efficient LiDAR Reflectance Compression via Scanning Serialization
Jiahao Zhu, Kang You, Dandan Ding, Zhan Ma
Reflectance attributes in LiDAR point clouds provide essential information for downstream tasks but remain underexplored in neural compression methods. To address this, we introduce SerLiC, a serialization-based neural compression framework to fully exploit the intrinsic characteristics of LiDAR reflectance. SerLiC first transforms 3D LiDAR point clouds into 1D sequences via scan-order serialization, offering a device-centric perspective for reflectance analysis. Each point is then tokenized into a contextual representation comprising its sensor scanning index, radial distance, and prior reflectance, for effective dependencies exploration. For efficient sequential modeling, Mamba is incorporated with a dual parallelization scheme, enabling simultaneous autoregressive dependency capture and fast processing. Extensive experiments demonstrate that SerLiC attains over 2 volume reduction against the original reflectance data, outperforming the state-of-the-art method by up to 22\% reduction of compressed bits while using only 2\% of its parameters. Moreover, a lightweight version of SerLiC achieves fps (frames per second) with just 111K parameters, which is attractive for real applications.
Synthesize Privacy-Preserving High-Resolution Images via Private Textual Intermediaries
Haoxiang Wang, Zinan Lin, Da Yu, Huishuai Zhang
Generating high-fidelity, differentially private (DP) synthetic images offers a promising route to share and analyze sensitive visual data without compromising individual privacy. However, existing DP image synthesis methods struggle to produce high-resolution outputs that faithfully capture the structure of the original data. In this paper, we introduce a novel method, referred to as Synthesis via Private Textual Intermediaries (SPTI), that can generate high-resolution DP images with easy adoptions. The key idea is to shift the challenge of DP image synthesis from the image domain to the text domain by leveraging state-of-the-art DP text generation methods. SPTI first summarizes each private image into a concise textual description using image-to-text models, then applies a modified Private Evolution algorithm to generate DP text, and finally reconstructs images using text-to-image models. Notably, SPTI requires no model training, only inferences with off-the-shelf models. Given a private dataset, SPTI produces synthetic images of substantially higher quality than prior DP approaches. On the LSUN Bedroom dataset, SPTI attains an FID 26.71 under , improving over Private Evolution’s FID of 40.36. Similarly, on MM-CelebA-HQ, SPTI achieves an FID 33.27 at , compared to 57.01 from DP fine-tuning baselines. Overall, our results demonstrate that Synthesis via Private Textual Intermediaries provides a resource-efficient and proprietary-model-compatible framework for generating high-resolution DP synthetic images, greatly expanding access to private visual datasets. Our code release: https://github.com/MarkGodrick/SPTI
Boosting Resilience of Large Language Models through Causality-Driven Robust Optimization
Xiaoling Zhou, Mingjie Zhang, Zhemg Lee, YUNCHENG HUA, chengli xing, Wei Ye, Flora Salim, Shikun Zhang
Large language models (LLMs) have achieved remarkable achievements across diverse applications; however, they remain plagued by spurious correlations and the generation of hallucinated content. Despite extensive efforts to enhance the resilience of LLMs, existing approaches either rely on indiscriminate fine-tuning of all parameters, resulting in parameter inefficiency and lack of specificity, or depend on post-processing techniques that offer limited adaptability and flexibility. This study introduces a novel Causality-driven Robust Optimization (CdRO) approach that selectively updates model components sensitive to causal reasoning, enhancing model causality while preserving valuable pretrained knowledge to mitigate overfitting. Our method begins by identifying the parameter components within LLMs that capture causal relationships, achieved through comparing the training dynamics of parameter matrices associated with the original samples, as well as augmented counterfactual and paraphrased variants. These comparisons are then fed into a lightweight logistic regression model, optimized in real time to dynamically identify and adapt the causal components within LLMs. The identified parameters are subsequently optimized using an enhanced policy optimization algorithm, where the reward function is designed to jointly promote both model generalization and robustness. Extensive experiments across various tasks using twelve different LLMs demonstrate the superior performance of our framework, underscoring its significant effectiveness in reducing the model’s dependence on spurious associations and mitigating hallucinations.
Mordal: Automated Pretrained Model Selection for Vision Language Models
Shiqi He, Insu Jang, Mosharaf Chowdhury
Incorporating multiple modalities into large language models (LLMs) is a powerful way to enhance their understanding of non-textual data, enabling them to perform multimodal tasks. Vision language models (VLMs) form the fastest growing category of multimodal models because of their many practical use cases, including in healthcare, robotics, and accessibility. Unfortunately, even though different VLMs in the literature demonstrate impressive visual capabilities in different benchmarks, they are handcrafted by human experts; there is no automated framework to create task-specific multimodal models. We introduce Mordal, an automated multimodal model search framework that efficiently finds the best VLM for a user-defined task without manual intervention. Mordal achieves this both by reducing the number of candidates to consider during the search process and by minimizing the time required to evaluate each remaining candidate. Our evaluation shows that Mordal can find the best VLM for a given problem using -- lower GPU hours than grid search. We have also discovered that Mordal achieves about 69\% higher weighted Kendall’s on average than the state-of-the-art model selection method across diverse tasks.
AlphaQCM: Alpha Discovery in Finance with Distributional Reinforcement Learning
Zhoufan Zhu, Ke Zhu
For researchers and practitioners in finance, finding synergistic formulaic alphas is very important but challenging. In this paper, we reconsider the discovery of synergistic formulaic alphas from the viewpoint of sequential decision-making, and conceptualize the entire alpha discovery process as a non-stationary and reward-sparse Markov decision process. To overcome the challenges of non-stationarity and reward-sparsity, we propose the AlphaQCM method, a novel distributional reinforcement learning method designed to search for synergistic formulaic alphas efficiently. The AlphaQCM method first learns the Q function and quantiles via a Q network and a quantile network, respectively. Then, the AlphaQCM method applies the quantiled conditional moment method to learn unbiased variance from the potentially biased quantiles. Guided by the learned Q function and variance, the AlphaQCM method navigates the non-stationarity and reward-sparsity to explore the vast search space of formulaic alphas with high efficacy. Empirical applications to real-world datasets demonstrate that our AlphaQCM method significantly outperforms its competitors, particularly when dealing with large datasets comprising numerous stocks.