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Deep Learning · Large Language Models

Hyunji (Alex) Nam, Haoran Li, Natasha Jaques

While post-training has successfully improved large language models across a variety of domains from open-ended text generation to mathematics, these gains heavily rely on human-labeled data or external verifiers. Existing data has already been exploited and new high-quality data is expensive to collect. More fundamentally, true intelligence goes far beyond tasks that are easily verified. Therefore, there is a need for self-improvement frameworks that allow models to improve without external oversight. We propose **Mutual Information-based Preference Optimization (MIPO)**, a contrastive data augmentation method that constructs preference pairs by generating a positive response conditioned on the correct prompt and a negative response conditioned on a random or incomplete prompt; then train with Direct Policy Optimization. We show that this connects to maximizing pointwise mutual information between prompts and model responses under the base policy. Empirical results with the Llama- (1, 3B) and Qwen- (1.5, 3, 7B) Instruct models show that MIPO achieves 4-38\% improvements on personalization tasks from real-user datasets (PRISM, Community Alignment). Surprisingly, MIPO can be more generally applied to a suite of benchmark tasks (e.g., math and multiple-choice answering), yielding 3\% and 18\% improvements for smaller 1B models, *without any additional data or labels.*

Deep Learning · Graph Neural Networks

Wei Huang, Hanchen Wang, Dong Wen, Wenjie Zhang, Ying Zhang, Xuemin Lin

Graph Edit Distance (GED), which aims to find an edit path with minimum number of edit operations to transform one graph into another, is a fundamental NP-hard problem and a widely used graph similarity measure. Recent matching-based hybrid approaches have demonstrated better scalability than A* search-based hybrids by reformulating GED as a graph matching problem. In these methods, a neural network predicts a single deterministic node matching matrix, from which top-$k$ node mappings are extracted iteratively to derive candidate edit paths. However, these methods often suffer from highly correlated candidates that easily lead to suboptimal solutions, while the iterative extraction becomes inefficient for large $k$. In this paper, we propose DiffGED, the first generative approach for GED computation. Specifically, we formulate the graph matching problem as a generative task, and employ a diffusion-based model to generate multiple diverse node matching matrices simultaneously, from which diverse node mappings can be efficiently extracted. The generative diversity introduced by the diffusion process enables DiffGED to avoid suboptimal solutions and achieve superior solution quality close to the exact solution. Experiments on real-world datasets show that DiffGED generates multiple diverse edit paths with accuracy comparable to exact solutions, while running faster than existing hybrid approaches.

Applications · Computer Vision

Yunhong Lu, Qichao Wang, Hengyuan Cao, Xiaoyin Xu, Min Zhang

Existing preference datasets for text-to-image (T2I) models typically store only the final winner/loser images. This representation is insufficient for rectified flow (RF) models, whose generation is naturally indexed by a specific prior noise sample and follows a nearly straight denoising trajectory. In contrast, prior DPO-style alignment for diffusion models commonly estimates trajectories using an independent forward noising process, which can be mismatched to the true reverse dynamics and introduces unnecessary variance. We propose Prior Noise-Aware Preference Optimization (PNAPO), an off-policy alignment framework specialized for rectified flow. PNAPO augments preference data by retaining the paired prior noises used to generate each winner/loser image, turning the standard (prompt, winner, loser) triplet into a sextuple. Leveraging the straight-line property of RF, we estimate intermediate states via noise–image interpolation, which constrains the trajectory estimation space and yields a tighter surrogate objective for preference optimization. In addition, we introduce a dynamic regularization strategy that adapts the DPO temperature/regularization based on (i) the reward gap between winner and loser and (ii) training progress, improving stability and sample efficiency. Experiments on state-of-the-art RF T2I backbones (FLUX.1-dev and SD3-Medium) show that PNAPO consistently improves preference metrics while substantially reducing training compute compared to Diffusion-DPO.

Optimization · Discrete and Combinatorial Optimization

Debraj Banerjee, Santanu Mahapatra, Kunal Narayan Chaudhury

The generalized Ising problem captures a broad spectrum of hard combinatorial problems, including MAX-CUT, Number Partitioning (NPP), and Maximum Independent Set. In this work, we consider the notion of one-flip local minima for this problem. We construct a polynomial relaxation and prove that there exists a one-to-one correspondence between the local minima of the relaxation and the one-flip minima of the original Ising problem. This guarantee reduces the Ising problem to finding the local minima of a smooth function, allowing us to leverage scalable gradient-based optimizers such as ADAM. We demonstrate that our method achieves strong performance across challenging benchmarks, including spin-glass models, MAX-CUT, and NPP.

Social Aspects · Security

Ali Ebrahimpour-Boroojeny, Yian Wang, Hari Sundaram

In this paper, we reveal a significant shortcoming in class unlearning evaluations: overlooking the underlying class geometry can cause information leakage about the forgotten class. We further propose a simple unlearning strategy to mitigate this issue. We introduce Class Membership Inference Attack (CMIA) that uses the probabilities the model assigns to neighboring classes to detect unlearned samples. We find that existing unlearning methods are vulnerable to CMIA across multiple datasets. We then propose a new fine-tuning objective that mitigates this privacy leakage by approximating, for forget-class inputs, the distribution over the remaining classes that a retrained-from-scratch model would produce. To construct this approximation, we estimate inter-class similarity and tilt the target model’s distribution accordingly. The resulting Tilted REWeighting (TREW) distribution serves as the desired distribution during fine-tuning. We also show that across multiple benchmarks, TREW matches or surpasses existing unlearning methods on prior unlearning metrics. More specifically, on CIFAR-10, it reduces the gap with retrained models by $19\%$ and $46\%$ for U-LiRA and CMIA scores, accordingly, compared to the SOTA method for each category.

Applications · Computer Vision

Rongjin Guo, Guan Huankang, Rynson Lau

Salient Object Ranking (SOR) aims to study how humans visually explore complex scenes by predicting an ordered sequence of objects that attracts our attention. Existing SOR approaches typically model this ranking deterministically, assuming a single, fixed ranking sequence of attention. However, such deterministic SOR fails to capture the true nature of human attention. We observe that human attention shifts exhibit variability and stochasticity, showing that the next object of fixation is not a definitive choice but rather a probability distribution. Yet, existing SOR methods and evaluation metrics do not account for this inherent randomness. To address this fundamental problem, we propose ProbSOR, a novel Probabilistic Salient Object Ranking model that explicitly learns the uncertainty of attention shifts by incorporating Group Relative Policy Optimization (GRPO). We leverage a Vision-Language Model (VLM) as the foundation for ProbSOR to identify salient objects and infer their ranked order, utilizing a segmentation decoder for precise object extraction. We also propose a new metric tailored to ProbSOR, as existing SOR metrics only support deterministic rankings. Further, we construct a ProbSOR dataset comprising 15,000 probabilistic SOR samples, to support both model training and evaluation. Extensive experiments demonstrate that ProbSOR achieves strong performances in salient object ranking under both our proposed and traditional benchmarks.

Optimization · Non-Convex

John Hood, Aaron Schein

Despite the ubiquity of multiway data across scientific domains, there are few user-friendly tools that fit tailored nonnegative tensor factorizations. Researchers may use gradient-based automatic differentiation (which often struggles in nonnegative settings), choose between a limited set of methods with mature implementations, or implement their own model from scratch. As an alternative, we introduce NNEinFact, an einsum-based multiplicative update algorithm that fits any nonnegative tensor factorization expressible as a tensor contraction by minimizing one of many user-specified loss functions (including the $(\alpha,\beta)$-divergence). To use NNEinFact, the researcher simply specifies their model with a string. NNEinFact converges to a local minimum of the loss, supports missing data, and fits to tensors with hundreds of millions of entries in seconds. Empirically, NNEinFact fits custom models which outperform standard ones in heldout prediction tasks on real-world tensor data by over 37% and attains less than half the test loss of gradient-based methods while converging up to 90 times faster.

Applications · Chemistry, Physics, and Earth Sciences

Gabriel Melo, Leonardo Santiago, Peter Y. Lu

Chaos arises in many complex dynamical systems, from weather to power grids, but is difficult to accurately model using data-driven emulators, including neural operator architectures. For chaotic systems, the inherent sensitivity to initial conditions makes exact long-term forecasts theoretically infeasible, meaning that traditional squared-error losses often fail when trained on noisy data. Recent work has focused on training emulators to match the statistical properties of chaotic attractors by introducing regularization based on handcrafted local features and summary statistics, as well as learned statistics extracted from a diverse dataset of trajectories. In this work, we propose a family of adversarial optimal transport objectives that jointly learn high-quality summary statistics and a physically consistent emulator, all from a single trajectory. We theoretically analyze and experimentally validate a Sinkhorn divergence formulation (2-Wasserstein) and a WGAN-style dual formulation (1-Wasserstein). Our experiments across a variety of chaotic systems, including systems with high-dimensional chaotic attractors, show that emulators trained with our approach exhibit significantly improved long-term statistical fidelity.

Deep Learning · Graph Neural Networks

Lianze Shan, Ningchong Wang, Jitao Zhao, Di Jin, Dongxiao He

Graph Contrastive Learning (GCL), which trains graph encoders by maximizing similarity between positive samples and minimizing it between negative ones, has emerged as a mainstream graph pre-training paradigm. It is widely recognized that positive samples are essential in GCLs. Ideally, maximizing the similarity of positive samples enables graph encoders to capture intrinsic semantic and patterns of graph data. However, we discover an interesting phenomenon: GCLs can achieve competitive performance even without positive samples. This motivates us to revisit the fundamental mechanism of positive samples in GCLs. From the perspective of Dirichlet energy, we theoretically finds that message passing, a key mechanism in graph encoders, trivializes the maximization of positive samples, preventing GCLs from effectively learning from positive samples. To address this, we propose SPGCL to mitigate the trivialization caused by message passing and restore the learning efficacy of positive samples. Specifically, we find that high Dirichlet energy features help positive samples provide effective learning signals while low Dirichlet energy features contribute little to positive learning signal but is useful for positive sampling. Based on this, SPGCL propagates only high Dirichlet energy features and uses low energy features to construct a probability matrix for reliable positive sampling. Extensive experiments demonstrate the effectiveness of SPGCL.

Deep Learning · Graph Neural Networks

Yuhan Peng, Junwen Dong, Yuzhi Zeng, Hao Li, Ce Ju, Huitao Feng, Diaaeldin Taha, Anna Wienhard, Kelin Xia

Graph neural networks face two fundamental challenges rooted in the linear structure of Euclidean vector spaces: (1) Current architectures represent geometry through vectors (directions, gradients), yet many tasks require matrix-valued representations that capture relationships between directions—such as how atomic orientations covary in a molecule. These second-order representations are naturally captured by points on the symmetric positive definite matrices (SPD) manifold; (2) Standard message passing applies shared transformations across edges. Sheaf neural networks address this via edge-specific transformations, but existing formulations remain confined to vector spaces and therefore cannot propagate matrix-valued features. We address both challenges by developing the first sheaf neural network operates natively on the SPD manifold. Our key insight is that the SPD manifold admits a Lie group structure, enabling well-posed analogs of sheaf operators without projecting to Euclidean space. Theoretically, we prove that SPD-valued sheaves are strictly more expressive than Euclidean sheaves: they admit consistent configurations (global sections) that vector-valued sheaves cannot represent, directly translating to richer learned representations. Empirically, our sheaf convolution transforms effectively rank-1 directional inputs into full-rank matrices encoding local geometric structure. Our dual-stream architecture achieves SOTA on 6/7 MoleculeNet benchmarks, with the sheaf framework providing consistent depth robustness.

Deep Learning · Graph Neural Networks

Yiming Xu, Zihan Chen, Zhen Peng, Song Wang, Bin Shi, Bo Dong, Chao Shen

Driven by the pressing demand for graph anomaly detection (GAD) in high-stakes domains, the generalist GAD paradigm, which trains a single detector transferable across new graphs, has recently gained growing attention. However, existing methods often rely on scarce and costly annotations for training and sometimes even require few-shot support at inference, which limits their robustness to diverse and unseen anomaly patterns. To address this limitation, we introduce ProMoS, the first unsupervised generalist GAD framework, which detects anomalies by modeling the abundant normality in unlabeled data. ProMoS adopts a knowledge-distillation paradigm to distill normality priors from a frozen self-supervised graph neural network (GNN) teacher to a mixture-of-students model with shared global and lightweight personalized branches, enabling efficient and expressive normality modeling without learning from scratch. We further propose prototype-guided soft-label distillation to align teacher and student in a shared prototype space, enhancing cross-graph generalizability. During inference, ProMoS performs zero-shot anomaly detection on unseen graphs via distillation bias and prototype geometric deviation. Extensive experiments show the effectiveness and efficiency of ProMoS, charting a practical path toward label-free, zero-shot generalist GAD.

Deep Learning · Foundation Models

Wenwen He, Wenke Huang, Yi Liu, Jian Liang, Xirui Li, Guansong Pang, Mang Ye

LoRA efficiently adapts large pre-trained models via low-rank updates, making it a strong parameter-efficient fine-tuning (PEFT) method. When integrated with Federated Learning (FL), it enables collaborative fine-tuning across distributed clients, leveraging rich downstream data without exposing private information. However, this strategy is hindered by data heterogeneity and limits personalization performance. To address this, personalized FedLoRA approaches have been proposed and employ a dual-LoRA architecture, e.g., one branch for global knowledge and another for client-specific adaptation. Nevertheless, this dual-LoRA design introduces additional computational overhead and structural redundancy. To address this limitation, we propose FedPissa, the first framework that rethinks single-LoRA via selective aggregation and subspace decorrelation. We selectively aggregate LoRA components based on their aggregation dynamics, and further apply a decorrelated subspace projection to mitigate heterogeneous update conflicts, reducing cross-client interference and improving personalized adaptation. Experiments on textual and visual scenarios show that FedPissa not only achieves up to 35% lower communication and computation cost, but also improves overall accuracy by up to 8% compared to its counterparts.

Deep Learning · Graph Neural Networks

Yan Jiang, Ruihong Qiu, Zi Huang

Graph prompt tuning has shown great potential in graph learning by introducing trainable prompts to enhance the model performance in conventional single-domain scenarios. Recent research has extended graph prompts to improve Graph Foundation Models (GFMs) by few-shot tuning auxiliary prompts. Despite their progress, most existing methods embed source-domain information into prompts, which serve either as input to GFMs or encoded during model pre-training. Such prompt entanglement with specific source domains and GFM pre-training strategy restricts their generalisability to other domains and different GFMs. Furthermore, existing GFM prompts merely rely on few-shot tuning for adaptation, neglecting the rich information in unlabelled target domain test data. Motivated by these insights, this paper aims to empower GFMs with pre-training-agnostic test-time graph prompt tuning, named GFMate. GFMate introduces centroid and layer prompts applied after pre-training on target domains, avoiding entanglement with specific source domains and model pre-training. In addition, a test-time complementary learning objective is devised to exploit both labelled and unlabelled target domain data for effective test-time prompt tuning. Extensive experiments on 12 benchmark datasets demonstrate the superior performance and efficiency of GFMate, achieving improvements of up to 30.63%. Code will be released upon acceptance.

Deep Learning · Generative Models and Autoencoders

Daniil Selikhanovych, David Li, Aleksei Leonov, Nikita Gushchin, Sergei Kushneriuk, Alexander Filippov, Evgeny Burnaev, Iaroslav Koshelev, Aleksandr Korotin

Diffusion models for super-resolution (SR) produce high-quality visual results but require expensive computational costs. Despite the development of several methods to accelerate diffusion-based SR models, some (e.g., SinSR) fail to produce realistic perceptual details, while others (e.g., OSEDiff) may hallucinate non-existent structures. To overcome these issues, we present **RSD**, a new distillation method for ResShift. Our method is based on training the student network to produce images such that a new fake ResShift model trained on them will coincide with the teacher model. RSD achieves single-step restoration and outperforms the teacher by a noticeable margin in various perceptual metrics (LPIPS, CLIPIQA, MUSIQ). We show that our distillation method can surpass SinSR, the other distillation-based method for ResShift, making it on par with state-of-the-art diffusion SR distillation methods with limited computational costs in terms of perceptual quality. Compared to SR methods based on pre-trained text-to-image models, RSD produces competitive perceptual quality and requires fewer parameters, GPU memory, and training cost. We provide experimental results on various real-world and synthetic datasets, including RealSR, RealSet65, DRealSR, ImageNet, and DIV2K.

Theory · Online Learning and Bandits

Anna Lunghi, Gianmarco Genalti, Alberto Marchesi, Matteo Castiglioni

We study the Awakening Crowd of Experts (ACE) problem, an online learning problem where the set of experts available to the learner grows at each round. ACE is a special case of the well-known sleeping experts problem (Kleinberg et al., 2010), where the number of experts is huge $(K=T)$. Existing results on sleeping experts preclude any learner from achieving a sublinear regret when the number of available experts is linear in $T$. Inspired by real-world applications, such as Q\&A platforms and social proof marketing, we thus focus on the awakening version of the sleeping experts problem, where a new expert arrives at every round and never leaves. We show that in the stochastic version of ACE, it is possible to obtain regret $\tilde{\mathcal{O}}(T^{2/3})$ using an unusual pessimism in the face of the uncertainty principle. Moreover, we characterize the dependence of the regret on the stability of an optimal strategy. For both results, we present matching lower bounds. Surprisingly, the adversarial version of ACE is sensibly harder. In particular, we provide a lower bound precluding sublinear $\alpha$-regret when the competitive ratio is constant. We provide an algorithm to face this crucial trade-off between competitive ratio and regret, and bound its $\alpha$-regret, almost matching the aforementioned lower bound. As a corollary, we get a $\tilde{\mathcal{O}}(\log(\log(T))$ competitive ratio when an optimal strategy enjoys a reward linear in $T$.

Theory · Game Theory

Anna Lunghi, Mattia Piccinato, Matteo Castiglioni, Alberto Marchesi

We study online bilateral trade, where a learner facilitates repeated exchanges between a buyer and a seller to maximize the Gain From Trade (GFT), i.e., the social welfare. In doing so, the learner must guarantee not to subsidize the market. This constraint is usually imposed per round through Weak Budget Balance (WBB). Despite that, (Bernasconi et al.,2024) shows that a Global Budget Balance (GBB) constraint on the profit--enforced over the entire time horizon--can improve the GFT by a multiplicative factor of two. While this might appear to be a marginal relaxation, this implies that all existing WBB-focused algorithms suffer linear regret when measured against the GBB optimum. In this work, we provide the first algorithm to achieve sublinear regret against the GBB benchmark in stochastic environments under one-bit feedback. In particular, we show that when the joint distribution of valuations has a bounded density, our algorithm achieves $\widetilde{\mathcal{O}}(T^{3/4})$ regret. Our result shows that there is no separation between the one-dimensional problem of learning the optimal WBB price and the two-dimensional problem of learning the optimal GBB distribution over *couples* of prices.

Deep Learning · Graph Neural Networks

Pablo Barcelo, Fabian Jogl, Alexander Kozachinskiy, Matthias Lanzinger, Stefan Neumann, Cristobal Rojas

Graph neural networks (GNNs) are widely used in graph learning and most architectures propagate information by passing messages between vertices. In this work, we shift our attention to GNNs that perform message passing on *edges* and introduce EB-1WL, an edge-based color-refinement test, and a corresponding architecture, EB-GNN. Our EB-GNN architecture is inspired by the classic triangle-counting algorithm of Chiba and Nishizeki and passes messages along edges and triangles. Our contributions are as follows: 1. Theoretically, we show that EB-1WL is significantly more expressive than 1WL. We provide a complete logical characterization of EB-1WL in first-order logic, along with distinguishability results via homomorphism counting. To the best of our knowledge, EB-GNN has the strongest theoretical expressivity guarantees among edge-based message-passing GNNs in the literature. 2. Unlike many GNN architectures that are more expressive than 1WL, we prove that EB-1WL and EB-GNN admit near-linear time and memory usage on practical graph learning workloads. 3. We show in experiments that EB-GNN is a highly efficient general-purpose architecture: it substantially outperforms simple MPNNs and remains competitive with task-specialized state-of-the-art GNNs at substantially lower computational cost.

Applications · Computer Vision

Bowen Yan, Jiahao Xiao, Kehui Liu, Jianbo Zhang, Zicheng Zhang, Qi Jia, Zhongjie Jia, Haoming Song, Chunyi Li, Bin Zhao 等

Existing VLA models frequently fail in robotic manipulation tasks, with poorly structured fault types that often require expert diagnosis.While VLMs offer strong explanatory capabilities, their effectiveness in assisting VLAs is limited by their unclear role in diagnostics and inadequate collaboration mechanisms.To address this, we introduce VLA-FixBench, a fault evaluation dataset that spans perception, planning, and control failures, and provides annotations for task stages, fault types, and spatiotemporal repair strategies.We further propose FaultEval, a static-to-dynamic-to-real evaluation framework that benchmarks 20 VLMs across multiple fault-related dimensions.Building on these insights, we design a VLM–VLA collaboration mechanism that localizes spatiotemporal deviations and rolls back task execution to enable targeted recovery.Experiments show that FaultEval reliably characterizes VLM-based closed-loop diagnosis and repair.The upper-bound analysis using human expert intervention shows that an idealized feedback loop can improve task success rates by 13% on LIBERO and 35% on real-world robots.

Optimization · Large Scale, Parallel and Distributed

Yaoshuai Ma, Xiao Wang, Wei Yao, Jin Zhang

Distributed optimization over time-varying directed graphs has shown promising performance in addressing challenges posed by complex communication constraints in real-world scenarios. In many practical settings, however, the direct application of distributed optimization algorithms encounters additional difficulties, most notably hyperparameter tuning, which our empirical observations suggest can be effectively mitigated by integrating bilevel optimization. Motivated by these findings, we study distributed bilevel optimization over time-varying directed networks, a problem that remains largely unexplored due to the compounded challenges arising from consensus bias in dynamic unbalanced communication and the nested optimization structure. In this work, we propose a fully first-order distributed gradient-based algorithm that integrates the Push–Pull (also known as AB) communication strategy with a value function-based penalty method and establish its non-asymptotic convergence properties. Notably, a simplified variant of our analysis framework for nonconvex single-level distributed optimization establishes a convergence rate for the Push–Pull algorithm, thereby resolving an open question concerning its convergence over time-varying directed graphs. Empirical evaluations across diverse tasks, including hyperparameter tuning, data hyper-cleaning, and reinforcement learning, validate the effectiveness and efficiency of the proposed algorithm.

Deep Learning · Graph Neural Networks

Zhizhi Yu, Jiachen Liu, Qingyu Li, Dongxiao He, Di Jin

Representation learning on text-attributed graphs (TAGs) is crucial for real-world applications, as it enables effective modeling of both rich node semantics and complex graph structure. Nevertheless, this task is intrinsically challenging due to structural–semantic mismatch stemming from divergent modality distributions, as well as dual-source noise inherent in node textual content and graph structure. Existing approaches often enforce a rigid fusion of distinct modalities while overlooking their inherent noise, which inevitably results in persistent distribution gaps and amplifies mixed interference during information propagation. To address these issues, we propose UDPD, an Uncertainty-modulated Dual-Path Diffusion model for robust text-attributed graph learning. Specifically, we first employ a dual-perspective node encoding strategy to separately learn semantic and structural embeddings. We then introduce a cooperative diffusion paradigm with parallel semantic and structural branches, where mutual guidance enables progressive alignment of different distributions while effectively suppressing modality inherent noise. Crucially, the reverse process is guided by node uncertainty, which is used to adaptively modulate cross-branch interaction strength, ensuring robust coupling and maximizing denoising effectiveness. Extensive experiments on five public benchmarks demonstrate the effectiveness and superiority of our UDPD over state-of-the-art baselines.