Machine Learning
Evolving Causal Regulatory Networks (ECR-Net)
Govind Vallabhasseri Binish, Abdhul Ahadh, Rano Roy Kavanal et al. (+1 more)
Modern machine learning models excel at pattern recognition but remain brittle, often failing to generalize out of distribution (OOD) because they capture spurious correlations rather than the underlying causal data-generating process. Current causal discovery methods, while powerful, typically assume a static graph structure, rendering them unable to model systems that adapt or undergo structural changes across different environments. We introduce ECR-Net, Evolving Causal Regulatory Networks, a novel, bio-inspired framework for adaptive causal mechanism discovery. Our approach models the data-generating process not as a static graph, but as a dynamic system analogous to a Gene Regulatory Network (GRN), composed of localized, recursive functions where variables can activate and inhibit one another. To discover the latent structure of this network, we employ an evolutionary search
algorithm that evolves a population of candidate regulatory graphs, optimizing for a fitness function that measures how well the simulated system dynamics reconstruct the observed data. The key innovation of ECR-Net is its ability to model structural adaptation, it explicitly ingests shifts in the data's statistical properties as signals of an environmental shock. In response, the evolutionary search identifies parsimonious modifications to the causal graph
topology, such as link inhibitions or activations that explain the new data regime. We posit that ECR-Net represents a new class of adaptive Structural Causal Models capable of discovering how and why a system's fundamental rules change, offering a path toward robust generalization in complex, non-stationary systems.
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All authors Govind Vallabhasseri Binish, Abdhul Ahadh, Rano Roy Kavanal, Arya Ukunde
Machine Learning
Multi-Objective Learning for Diffusion Models: A Statistical Theory under Semi-Supervised Learning
Ziheng Cheng, Yixiao Huang, Hanlin Zhu et al. (+5 more)
Diffusion models are increasingly used as powerful conditional generators, yet real deployments often involve multiple target distributions arising from different tasks, e.g., diverse
prompt domains in text-to-image generation, or multiple environments in robotics with
diffusion policies. This naturally leads to a multi-objective learning (MOL) problem. A key challenge is that achieving good Pareto trade-offs can require a generalist model class with substantially larger capacity than what suffices for solving any individual task, thereby increasing statistical cost since sample complexity typically scales with the model complexity. To reconcile this, we develop a principled MOL framework for
diffusion models with limited data: a semi-supervised regime where paired (labeled) samples are scarce, but (unlabeled) condition data are abundant. We propose a two-stage training procedure that first fits lightweight specialist models from limited paired data, and then distills them into a generalist model by generating pseudo-samples. We establish generalization bounds showing that the required number of paired samples only depends on the complexity of the specialist model classes. We further extend the theory to
diffusion policies for sequential decision making to account for distribution shift in on-policy rollouts. Extensive experiments on robotic control and image restoration tasks are conducted to verify our theoretical results.
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All authors Ziheng Cheng, Yixiao Huang, Hanlin Zhu, Haoran Geng, Somayeh Sojoudi, Jitendra Malik, Pieter Abbeel, Xin Guo
Machine Learning
Influence-Inspired Spectral Rotations for Extreme Low-Bit LLM Quantization
Gorgi Pavlov
We apply the influence-adaptive Walsh geometry of a companion theory paper (arXiv:2605.01637) to extreme low-bit weight-only LLM quantization. The recipe is one math-invariant transformation: WHT-rotate each linear layer's weight
matrix and rescale its columns by per-coordinate Walsh-basis activation energy before handing off to a reconstruction-error quantizer (Intel auto-round). This biases per-group integer rounding toward high-spectral-energy channels. On four pretrained decoder-only models from 135M to 1.5B parameters, BBT-spectral reduces wikitext-2 perplexity by 15-58% relative to vanilla auto-round at W2A16; we also report a TinyLlama-1.1B auxiliary data point. Three extensions transfer the recipe to families it failed on: a per-head PCA
matrix-Gamma replacement of q_norm/k_norm for Qwen3
attention (PPL 136.76 -> 88.99 on Qwen3-0.6B); an SO(2) per-pair rotation that commutes with RoPE (PPL 36.93 -> 21.84 on Qwen2.5-1.5B); and an MoE-aware input-side absorption fix identified by architectural fuzzing of Laguna-style fused-expert layouts. A W2-vs-W4 ablation gives a deliberate negative control: the redistribution payoff falls within the +/-0.5 PPL noise floor at W4, consistent with the Schur-convexity intuition that the cost of unconcentrated influence vanishes as the noise budget shrinks. All quantized weights export to OpenVINO IR and run on Intel NPU + Arc dGPU + CPU with PPL invariant to device within +/-0.1. We do not claim a formal Boolean-to-real-valued transfer of the theory paper's majorization argument: the WHT activation energy used here is not the Boolean influence of the theory paper, the link is intuitive, and the contribution is engineering value rather than a transferred
theorem. Head-to-head
benchmarks against SpinQuant, QuaRot, QuIP-sharp, AQLM, OmniQuant, and ButterflyQuant at matched calibration are the main future-work item.
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Machine Learning
Hide to Guide: Learning via Semantic Masking
Ruitao Liu, Qinghao Hu, Alex Hu et al. (+6 more)
Reinforcement learning with verifiable rewards (RLVR) has become a powerful paradigm for improving
language models on
reasoning-intensive tasks, but its effectiveness is often limited by exploration. For example, models often fail on hard problems, leaving little useful reward signal. External expert traces offer a natural source of guidance, yet they may also expose reward-relevant content along the critical path to the verifier target, such as final answers, intermediate values, executable implementations, or answer-related entities. This content can create an unintended reward hacking channel, allowing the policy to obtain reward by copying the trace rather than learning the underlying
reasoning or agentic behavior. Existing guided-RL methods reduce this risk by using partial trajectories, but they mainly control how much expert information is shown heuristically rather than which parts should be hidden. To this end, we propose Semantic Masked Expert Policy Optimization (SMEPO), a fine-grained semantic masking strategy for expert-guided RLVR. Instead of truncating traces coarsely or revealing them unchanged, SMEPO masks reward-relevant semantic spans along the critical path while preserving the expert's decomposition, plan, and procedural structure. This turns hard problems from
reasoning from scratch into a fill-in-the-blank process: the policy can follow the expert's problem-solving route, but must still reconstruct the missing values, code, or entities by itself. SMEPO is simple to apply and requires no changes to the reward function or RL objective. Across diverse domains, including math, code, and agentic search, SMEPO improves accuracy by up to 3.2 points over GRPO and reduces training time by up to 4.2x. The code is available at https://github.com/mit-han-lab/SMEPO.
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All authors Ruitao Liu, Qinghao Hu, Alex Hu, Yecheng Wu, Shang Yang, Luke J. Huang, Zhuoyang Zhang, Han Cai, Song Han
Machine Learning
Localize and Neutralize: Gradient-guided Token Suppression against Visual Prompt Injection Attack
Dongpeng Zhang, Ke Ma, Yangbangyan Jiang et al. (+4 more)
Adversarial images pose a severe security threat to
multimodal large
language models through
prompt injection. Existing defenses largely lack a principled understanding of the underlying mechanisms and struggle to balance efficiency and defense utility. In this work, we show that successful
adversarial attacks do not rely on the entire image uniformly but instead depend on a small subset of critical image
tokens. Based on this insight, we propose Gradient
Token Masking (GTM), which localizes these
tokens via gradient analysis and neutralizes them through masking. We find that attribution based on the first generated
token's output probability fails when attacks preserve the predicted
token. To overcome this, GTM utilizes the Hidden-State Gradient Norm score for generation-influence attribution under
adversarial inputs. We prove that its ranking is consistent with that of the full
adversarial loss gradient, providing a theoretical guarantee for accurate localization. Our method requires only a single forward-backward pass to identify and zero out a small number of high-scoring
tokens, effectively disrupting the
adversarial attack path. Extensive experiments on
prompt injection and
multimodal jailbreak attacks demonstrate that our approach reduces attack success rates (ASR) to near zero while preserving model utility with negligible computational overhead.
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All authors Dongpeng Zhang, Ke Ma, Yangbangyan Jiang, Gaozheng Pei, Longtao Huang, Qianqian Xu, Qingming Huang
Machine Learning
Directional Alignment Mitigates Reward Hacking in Reinforcement Learning for Language Models
Wenlong Deng, Jiaji Huang, Kaan Ozkara et al. (+4 more)
Reward hacking arises when a model improves a proxy reward by exploiting shortcuts rather than solving the intended task. We study this failure mode through the geometry of reinforcement learning updates in
language models and argue that hacking emerges when optimization drifts away from a stable low-dimensional learning trajectory. We analyze this drift through dominant singular directions of parameter updates and show that reward-hacking runs exhibit substantially larger directional change than clean runs. Motivated by this observation, we introduce trusted-direction projection, which constrains gradients to remain within a clean reference subspace. Across reward-hacking experiments on mathematical
reasoning, the proposed approach delays shortcut exploitation and better preserves task performance.
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All authors Wenlong Deng, Jiaji Huang, Kaan Ozkara, Yushu Li, Christos Thrampoulidis, Xiaoxiao Li, Youngsuk Park
Machine Learning · Cross-listed from q-bio.NC
Growing a Neural Network in Breadth, Depth, and Time
Eivinas Butkus, Kedar Garzón Gupta and Nikolaus Kriegeskorte
Spatial and temporal resource constraints are critical for both biological and artificial intelligent systems. Here we define differentiable cost terms for breadth, depth, and time within a recurrent convolutional neural network conceived as a finite subset of an infinite
lattice. We optimize these costs jointly with task errors via backpropagation. We set different pressures on breadth, depth, and time, which leads to diverse computational graphs emerging organically through training. We find that all three resources can be traded off against each other to achieve a given level of accuracy. Networks grow in all three dimensions with task complexity and spontaneously take more recurrent steps when inputs are occluded. Surprisingly, time used by the model correlates with human reaction times in an object recognition task. Our framework provides a normative account of how resource constraints shape neural architectures, connecting to questions about
brain design in neuroscience, and may help illuminate the diversity of neural solutions found in nature.
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Machine Learning · Cross-listed from stat.ML
Nyström Kernel Stein Discrepancy Tests
Florian Kalinke, Zoltán Szabó and Bharath K. Sriperumbudur
Kernel Stein discrepancy (KSD) is among the most popular goodness-of-fit (GoF) measures on general domains with a large number of successful deployments. One of the main applications of KSD is in constructing powerful GoF tests. However, tests relying on the classical U-/V-statistic-based KSD
estimators have two major drawbacks. (i) Their runtime scales quadratically in the number of samples. (ii) Their asymptotic null distribution is computationally intractable in most cases, typically handled by bootstrapping. While it is known that the Nyström method permits accelerating KSD estimation with no loss of statistical accuracy under mild conditions, to the best of our knowledge, the fundamental question of its impact on bootstrap-based GoF testing is open; resolving this question is the focus of the current paper. In particular, we prove that the key properties of the quadratic-time bootstrapped KSD-based GoF test (asymptotic level and local consistency) are preserved by its Nyström acceleration. We numerically demonstrate the efficiency of the accelerated KSD
estimator and bootstrap in the context of GoF testing of spherical and functional data. Our numerical results show that the Nyström-accelerated method performs statistically on-par with the quadratic-time approach, while requiring substantially smaller runtime.
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Machine Learning · Cross-listed from stat.AP
Rejoinder: The ICML 2023 Ranking Experiment: Examining Author Self-Assessment in ML/AI Peer Review
Buxin Su, Jiayao Zhang, Natalie Collina et al. (+6 more)
This article is the rejoinder to “The ICML 2023 Ranking Experiment: Examining Author Self-Assessment in ML/AI Peer Review,” to appear in the Journal of the American Statistical Association with discussion. To address the practical and theoretical points raised by the discussants, we organize our response around four core themes: (i) formulating peer review as a statistical estimation problem; (ii) mitigating equity and strategic concerns in the deployment of the Isotonic Mechanism; (iii) incorporating complementary signals such as reviewer rankings and structured metadata; and (iv) exploring a human-centered framework for peer review in the era of generative AI.
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All authors Buxin Su, Jiayao Zhang, Natalie Collina, Yuling Yan, Didong Li, Kyunghyun Cho, Jianqing Fan, Aaron Roth, Weijie Su
Machine Learning
Grow-Prune-Freeze Networks: Adaptive & Continual Learning Technique for Olfactory Navigation
Kordel K. France and Ovidiu Daescu
Training data for olfaction is scattered through disparate, non-standardized
datasets that limit the ability to build representative world models. Olfactory
navigation is a highly dynamic and non-stationary task that benefits from real-time continual learning. We introduce an adaptive framework called Grow-Prune-Freeze (GPF) networks that enable an
agent to continually learn through growing,
pruning, and freezing early layers of its policy in response to world complexity. Grounding GPFs in non-linear random
matrix theory, we show that the work of Pennington & Worth (2017) can be extended from single hidden layers to n-layer continual-learning models, and that
eigenvalue composition of network weights is preserved as successive layers are added. We show that GPFs based on Expected SARSA achieve a 94% success rate on turbulent plume
navigation - a partially observable, non-stationary task representative of the "big world" challenges that motivate adaptive learning in robotics - and provide supporting methodology for applying GPFs in other world models. Further experiments amount evidence that GPFs may generalize well to other machine learning tasks such as reinforcement learning in Atari, image classification, and autoregressive
language models. We open source all code and data to encourage improvements on and more research in olfactory robotics.
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Machine Learning
Learning Treatment Effects during Resource Allocation via Priority-Queue Randomization
JungHo Lee, Johnna Sundberg, Pim Welle et al. (+1 more)
Public service programs often allocate limited resources under uncertainty about their benefits, creating a need for randomization to support credible evaluation. In practice, however, applicants commonly enter waitlists where resources are prioritized toward individuals judged to have higher need through tiered priority queues, making direct randomization difficult. Motivated by this, we develop an experimental design framework for learning treatment effects while treating those most in need where incoming applicants are randomized into priority queues based on their assessed risk scores. Treatments are then provided across queues in priority order and first-in-first-out within queue as budget becomes available. Our contributions are two-fold. First, we characterize what causal effects are identified under this priority-queue allocation. When arrivals are exogenous, treatments are conditionally randomized, and hence standard estimands are identified; when arrivals are endogenous, queue randomization instead provides an instrument for treatment, identifying local treatment effects induced by the queuing process. Second, we develop optimized queue-assignment designs that trade off statistical efficiency against prioritizing higher-need applicants. We show in the process that, despite dependence in treatment assignments induced by the design, usual iid efficiency bounds remain well-justified design objectives. We illustrate the proposed designs using data from a housing allocation program in a large U.S. county.
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All authors JungHo Lee, Johnna Sundberg, Pim Welle, Bryan Wilder
Machine Learning
AME-TS: Anchored Mixture-of-Experts for Time Series Forecasting
Rui Wang, Renhao Xue, Ray Razi et al. (+2 more)
Time series
forecasting models are increasingly scaled through large
Transformer backbones, yet most existing approaches process all series through a shared dense computation path despite substantial heterogeneity in temporal structure. Mixture-of-Experts (MoE) offers a natural alternative by enabling conditional computation, but standard MoE routing leaves expert specialization weakly identified and often unstable during downstream adaptation. We propose AME-TS, a structure-guided sparse time series foundation model that aligns expert routing with interpretable temporal structure. AME-TS first uses a lightweight regime predictor to estimate series-level descriptors, including forecastability, seasonality, trend, and sparsity, and maps them to a soft structural prior over experts. This series-level prior guides
token-level routing during training, encouraging structure-aligned specialization. On the GIFT-Eval
benchmark, AME-TS delivers a strong accuracy-efficiency tradeoff across model scales: it substantially outperforms existing time series foundation models at small model scales and remains competitive with the strongest models at larger scales, while activating substantially fewer parameters through sparse routing. We further show that AME-TS learns more interpretable routing geometry and substantially more stable expert specialization than standard MoE during fine-tuning on the M5
dataset. These results suggest that structure-aware routing is an effective and reliable way to realize the benefits of sparse expert models for time series
forecasting.
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All authors Rui Wang, Renhao Xue, Ray Razi, Huan Song, Hannah R. Marlowe
Machine Learning
Abduction-Deduction Entanglement: Domain Generalization via Representation Transplants
Kasra Jalaldoust and Elias Bareinboum
Prediction models trained under the source distribution do not generalize well to a different target distribution. A valid inference about an unseen data distribution must be anchored by the invariance of certain causal mechanisms that generate the source and target data, however, these structural invariances are non-identifiable from the source data alone. Under mild causal assumptions about the data, we show that the optimal prediction in the target is in fact partially identifiable by the source distribution. The result rests on a simple observation: In any domain, the optimal prediction can be factorized into what we call a pair of abduction and deduction maps, where the abduction map makes inference about some unobserved variables (possibly confounders) from the observed variables and the deduction map predicts the label using both the observed and inferred quantities. Access to large source data pins down the optimal prediction, thus constrains the valid abduction-deduction ensembles that produce it – a non-identifiability that we call the abduction-deduction
entanglement. To leverage this, we parameterize the constrained family using what we call a representation transplant, that is a specific linear transformation in the representation space that manipulates the abduction content of the representation while retaining the deduction component. Invariance of the causal mechanism generating the label implies existence of an invariant deduction map between source and target. Thus, we can search the space of plausible target distributions via a parametric transplant. We use this scheme in a learner-adversary game that, under an idealistic optimization, provably terminates with the learner having the minimax-optimal target prediction. Evaluations verify the theory, showing that the method is competitive in DG
benchmarks.
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Machine Learning · Cross-listed from cs.AI
Beyond the Frontier: Stochastic Backtracking for Efficient Test-Time Scaling
Dao Tran, Duc Anh Le, Ngoc Luu et al. (+3 more)
Test-time scaling improves
language model
reasoning by spending additional compute to explore multiple solution trajectories. The key challenge is to maximize accuracy while minimizing the total number of generated
tokens during
reasoning. Recent PRM-guided methods score intermediate prefixes to steer this search, but most are frontier-only: they keep only the current active prefixes and irreversibly prune or resample away the rest using noisy PRM scores. This can cause premature commitment, diversity collapse, and the loss of prefixes that still admit correct continuations. We introduce
stochastic backtracking over a persistent pool of historical prefixes, allowing test-time compute to revisit previously generated states instead of only expanding the current frontier. To make this efficient, we propose two complementary mechanisms. Subpool Selection strengthens greedy PRM-guided search by applying Top-N selection within random subpools, giving historical prefixes a chance to bypass over-scored frontier candidates. Power Backtrack Sequential Monte Carlo extends SMC-style resampling to the persistent pool using powered PRM scores and mixture-corrected weights. Across mathematical
reasoning benchmarks and model scales, our methods consistently achieve higher accuracy per
token count, and the same level of accuracy using only a fraction of the
token count in comparison to strong PRM-guided baselines, demonstrating that persistent-pool
stochastic backtracking provides a simple and effective way to improve the accuracy-
token trade-off in test-time scaling.
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All authors Dao Tran, Duc Anh Le, Ngoc Luu, Quan Pham, Tung Pham, Hung Bui
Machine Learning
ASTRO: Adaptive Spatio-Temporal Reinforcement Optimization for GNN Powered Anomly Detection in Cyber Physical Systems
Rai Ali Yar, Umaisa Lail and Anwar Shah
Anomaly detection in Industrial Internet of Things (IIoT) environments is essential to protect the Industrial Control Systems (ICS) and Cyber-Physical Systems (CPS) from occuring run time false data injection and other malicious attacks. The increasing complexity of sensor networks and interconnected control loops makes it difficult to identify anomalous behavior hidden within high-dimensional and time-dependent signals. To address these challenges, this article introduces Adaptive Spatio-Temporal Reinforcement Optimization ASTRO (ASTRO), a novel anomaly detection framework that pioneers the use of reinforcement learning for dynamic threshold optimization. By integrating a Deep Q-Network (DQN) with Graph Neural Networks (GNNs), temporal modelling and a Multi-Head
Attention mechanism, ASTRO continuously adapts its decision boundaries to improve detection accuracy. The GNN component models the spatial relations among sensors, Temporal model captures time series dependencies and the
attention layer highlights most informative time steps. The model generates continuous anomaly scores, which are transformed into binary decisions using an adaptive threshold, optimized via a Deep Q-Network (DQN). The ASTRO approach is evaluated on two real world industrial
benchmarks: the Secure Water Treatment (SWaT) and Water Distribution (WADI)
datasets. The proposed model achieves an exceptional performance on the SWaT with F1 score of 0.990. Moreover, on highly complex 127 end devices WADI
dataset, it secures F1 score of 0.788, outperforming state-of-the-art baselines by nearly 14%. Results across multiple runs confirm consistent generalization and stability. These experiments demonstrate that the ASTRO framework is highly practical and scalable method for strengthening the large scale cyber physical infrastructures
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Machine Learning
Theoretical Analysis of Sparse Optimization with Reparameterization, Weight Decay, and Adaptive Learning Rate
Huangyu Xu, Jingqin Yang, Qianqian Xu et al. (+1 more)
Sparse optimization is a fundamental challenge in various practical applications. A popular approach to sparse optimization is $\ell_p$ regularization. However, it may encounter optimization instability due to the unbounded gradients when $0<p<1$. In this paper, we introduce a novel approach to sparse optimization termed ReWA, based on Reparameterization, Weight decay, and Adaptive learning rate. ReWA is closely connected to $\ell_p$-regularization, yet it unveils a distinct optimization landscape that helps mitigate instability issues. Experiments on CIFAR-10 and ImageNet with ResNets demonstrate that ReWA leads to significant sparsity improvements over the $\ell_1$-regularization approach while preserving test accuracy.
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All authors Huangyu Xu, Jingqin Yang, Qianqian Xu, Jiaye Teng
Machine Learning
Blocked Gibbs meets Diffusion Transformers: Unsupervised Learning for Constraint Optimization
Yudong W. Xu, Wenhao Li, Xiaoyu Wang et al. (+2 more)
Diffusion models have shown promise in learning to solve constraint optimization problems. However, they are mostly restricted to problems with binary variables and rely on graph neural networks, hindering their application to a broader range of problems such as those with general discrete variables or constraint structures that necessitate global rather than local
reasoning. We investigate the use of
Diffusion Transformers to address the aforementioned limitations. A naive implementation performs poorly due to a fundamental mismatch between the standard
diffusion process and constraint solving: while the former applies small, incremental denoising across all variables, the latter requires substantially altering specific subsets of variables to attain feasibility or optimality. Our method, Blocked Gibbs
Diffusion Transformer (BloGDiT), is the first to address this limitation by replacing standard joint Gaussian denoising with blocked Gaussian denoising. BloGDiT uses iterative block resampling and anneals the block size over time to facilitate large, targeted edits within a block of variables. Across Sudoku, Graph Coloring, Maximum Independent Set, and MaxCut, BloGDiT matches or outperforms existing methods, demonstrating that blocked Gibbs-style
diffusion provides a highly effective inductive bias for
Transformer-based constraint satisfaction and optimization.
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All authors Yudong W. Xu, Wenhao Li, Xiaoyu Wang, Scott Sanner, Elias B. Khalil
Machine Learning · Cross-listed from cs.CV
PQDT: Pseudo-Query Dual Transformer for Robust Point Cloud Restoration
Haoqing Wu, Alexa Nawotki and Jochen Garcke
Point clouds are a fundamental 3D representation in computer
vision, enabling a wide range of perception tasks. However, real-world point clouds often suffer from degradations such as incompleteness, noise, outliers, and irregular density, caused by sensor limitations or occlusions. Recovering clean and detailed shapes from such degraded data is crucial for downstream applications. While existing learning-based methods achieve progress on individual tasks like completion or denoising, they typically rely on global bottleneck features, which lose fine-grained geometry and remain sensitive to varying input quality. We propose a unified 3D restoration network that directly takes point clouds as input and adaptively reconstructs high-quality geometry under diverse degradation scenarios. At the core of our approach is a Pseudo-Query module, implemented within a
Transformer backbone, which reformulates
geometric translation into two cooperative stages to enhance structural clarity, robustness, and local detail preservation. Extensive experiments on curated
benchmarks demonstrate that our approach surpasses state-of-the-art performance in general 3D restoration. It effectively handles complex combinations of completion, deformation, and denoising degradations. With this work, we provide a novel unified, point-only backbone for robust 3D restoration, enabling more versatile 3D perception.
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Machine Learning
Optimizing Multidimensional Scaling in Gini Metric Spaces
Cassandra Mussard and Stéphane Mussard
The Gini Multidimensional Scaling (Gini MDS) framework extends the Euclidean multidimensional scaling. We introduce a Gini pseudo-distance based on values and their ranks that depends on a fine-tunable hyperparameter. This pseudo-distance allows flexible exploration of latent configurations, enabling
embeddings that best match observed dissimilarities. The Gini MDS is shown to be robust to noise and outliers, making it well-suited for real-world applications. We provide experiments on 16 UCI
datasets with outliers and on MNIST images with noise to show that the Gini MDS outperforms the Euclidean MDS on noisy data. Finally, a tensor-based implementation in PyTorch provides GPU acceleration and efficient computation compared to the standard MDS of the sklearn library.
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Machine Learning
Inference-Time Alignment of Diffusion Models via Trust-Region Iterative Twisted Sequential Monte Carlo
Weixin Wang, Yu Yang, Wei Deng et al. (+1 more)
We study inference-time
alignment for
diffusion-based generative models, aiming to steer a base model toward high-reward outputs without updating its weights. Recent Sequential Monte Carlo (SMC)-based steering methods approximate reward-tilted target distributions in a principled way, but their proposals remain largely tied to the base sampler. Since reward information is mainly used after propagation through particle reweighting and resampling, these methods can require large particle budgets and suffer from weight degeneracy and high-variance estimates. One way to reduce variance and improve particle efficiency is to iteratively learn twisting functions that provide look-ahead guidance, as in twisted SMC. However, existing learnable twisting methods are developed mainly for classical sequential inference and can be unstable when applied to
diffusion-based
alignment with high-dimensional state spaces and terminal, noisy, or black-box rewards. We propose Trust-Region Iterative Twisted Sequential Monte Carlo (TRI-TSMC), a trust-region framework for learning twisting functions in SMC-based inference-time
alignment. Each iteration computes an exact KL-constrained update in path space, which admits a closed-form solution by tempered importance reweighting, and projects this target back to the parameterized twisted family by weighted maximum likelihood. Theoretically, we formalize the value-function interpretation of the optimal twisting function and show that it yields a zero-variance sampler. We prove that the trust-region update follows an escort path toward the target distribution, that the weighted maximum-likelihood update is a forward-KL projection, and that the path reduces residual importance-weight variance. Empirically, TRI-TSMC improves primary
alignment objectives on discrete
diffusion text generation and text-to-image generation under matched inference-time budgets.
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All authors Weixin Wang, Yu Yang, Wei Deng, Pan Xu
Machine Learning · Cross-listed from cs.CV
Trust-Aware Joint Feature-Prediction Discrepancy for Robust Domain Adaptation
Xi Ding, Lei Wang, Syuan-Hao Li et al. (+1 more)
Domain adaptation aims to mitigate performance degradation caused by distribution shifts between a labeled source domain and an unlabeled or sparsely labeled target domain. Most existing approaches estimate domain discrepancy either in feature space or in prediction space. However, these single-perspective strategies overlook a critical problem under domain shift: the reliability of the signals used for
alignment. In practice, both learned representations and semantic predictions may become unreliable, and treating all target samples equally can lead to misleading
alignment and suboptimal transfer. We introduce trust-aware domain adaptation, a principled framework that models domain discrepancy through the reliability of feature and prediction signals. Central to our approach is the Joint Feature-Prediction Discrepancy (JFPD), a unified formulation that jointly captures representation divergence and prediction divergence while weighting their contributions by sample-specific trust. Trust is quantified via two complementary mechanisms: uncertainty-aware trust, derived from prediction
entropy to suppress unreliable predictions, and semantic-
alignment trust, computed from prototype similarity in feature space to emphasize well-aligned representations. By prioritizing confident and semantically consistent samples while down-weighting noisy or ambiguous ones, JFPD provides a reliability-aware estimate of domain discrepancy. We further integrate JFPD into a training objective that guides adaptation toward trustworthy regions of the target domain. Experiments on standard
benchmarks demonstrate that the proposed framework consistently achieves superior adaptation performance and yields discrepancy estimates that correlate with target-domain error. This work addresses, for the first time, the importance of modeling trust in the interaction between features and predictions for domain adaptation.
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All authors Xi Ding, Lei Wang, Syuan-Hao Li, Yongsheng Gao
Machine Learning
Courant: a State-Adaptive Perceiver-Based Neural Surrogate with Local Support and Interpretable Field Decomposition
Anuj Kumar, Josiah Bjorgaard, Nikolaos Bouklas et al. (+2 more)
We introduce "Courant", a Perceiver-based encoder-processor-decoder surrogate model that has latent features exhibiting adaptive specialization and local support in the physical space, enabling functionality akin to an adaptive hp-refinement scheme, an attribute that is highly desirable in traditional numerical solvers and scientific machine learning broadly. The proposed architecture combines a shared random
Fourier feature coordinate
embedding, state-adapted latent queries, and a light-weight decoder. Courant is trained end-to-end with steady or transient simulation data and only a standard L_2 prediction loss in the physical space, achieving competitive accuracy on
benchmarks. We demonstrate that Courant's inductive biases yield latents that are interpretable by design: they develop multiscale
geometric specialization in the simulation domain and track coherent structures in the time-dependent case, acting analogously to time-evolving spatial basis functions and allowing for decoding a compact, geometry-anchored, partition-of-unity-like decomposition of the simulated field.
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All authors Anuj Kumar, Josiah Bjorgaard, Nikolaos Bouklas, Matteo Salvador, Alexander Lavin
Machine Learning · Cross-listed from stat.ML
Counterfactually Safe Reinforcement Learning
Jingyi Li, Peng Wu and Chengchun Shi
Reinforcement learning
algorithms are generally designed to maximize the expected return across a population. However, a policy that is optimal on average may be suboptimal for certain individuals, leading to potential safety concerns. To address this, we first formalize the notion of individual harm from a counterfactual perspective and define harm as the event in which a chosen action results in a strictly worse outcome than a baseline alternative. We then propose a general two-stage procedure for learning policies that maximize the expected return while accounting for individual harm. We further establish the finite-sample properties of the learned policy, derive an upper bound on its sub-optimality gap, and show that the harm rate remains well-controlled. Numerical experiments on both simulated and real-world
datasets demonstrate the effectiveness of the proposed approach.
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Machine Learning
Revisiting Pre-Propagation GNNs: Robust Diffusion Operators and Hidden-State Re-Propagation
Zichao Yue and Zhiru Zhang
Pre-propagation graph neural networks (PPGNNs) decouple node feature propagation from transformation: graph
diffusion is performed once as preprocessing, and training reduces to dense per-node transformations. This design enables mini-batch training without inter-node dependencies, avoids repeated sparse
matrix–
matrix multiplications, and better matches modern accelerators optimized for dense compute. However, their expressivity remains unclear, and empirical results show a gap between PPGNNs and their message-passing counterparts on commonly used graph
benchmarks, especially heterophilic ones. In this paper, we propose a suite of robust graph
diffusion operators for preprocessing and a few-shot hidden-state re-propagation scheme during training. Our methods improve the validation and test accuracy of PPGNNs, enabling them to match the accuracy of message-passing GNNs while maintaining training efficiency.
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Machine Learning · Cross-listed from cs.CV
Uncertainty-DTW for Sequences and Visual Tokens
Lei Wang, Syuan-Hao Li, Yongsheng Gao et al. (+1 more)
Aligning structured data is a fundamental problem in computer
vision and machine learning, underlying tasks such as time series analysis, human action recognition, and visual representation learning. Existing
alignment methods, including Dynamic Time Warping (DTW) and its differentiable variants, rely on deterministic similarity measures and are therefore sensitive to heterogeneous and noisy features. In this work, we introduce uncertainty-aware
alignment, a probabilistic framework that models pairwise correspondences with heteroscedastic uncertainty and performs structured matching along
alignment paths. Our formulation, uncertainty-DTW (uDTW), assigns each correspondence a Normal distribution and parametrizes each
alignment path by a Maximum Likelihood Estimate objective consisting of (i) a precision-weighted matching term that suppresses unreliable features, and (ii) a log-variance regularization that prevents degenerate solutions. This yields a probabilistic
alignment mechanism that is robust to noise and interpretable, as uncertainty directly reflects the reliability of matches. We further generalize this framework from temporal sequences to tokenized visual representations, enabling structured matching over sets of visual
tokens. The learned uncertainty can be interpreted as a reverse-
attention: semantically relevant regions exhibit low uncertainty and dominate the
alignment, while ambiguous/noisy regions have high uncertainty. This provides a connection between
alignment,
attention, and uncertainty modeling. We evaluate the proposed framework across diverse domains. The results demonstrate consistent improvements over state-of-the-art methods and show that learned uncertainty correlates with semantic importance. These findings establish uncertainty-aware
alignment as a general, robust, and interpretable framework for learning from structured data.
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All authors Lei Wang, Syuan-Hao Li, Yongsheng Gao, Piotr Koniusz
Machine Learning
Leveraging Gauge Freedom for Learning Non-Gradient Population Dynamics of Stochastic Systems
Jules Berman, Tobias Blickhan and Benjamin Peherstorfer
Existing work on population dynamics inference often focuses on flows arising from vector fields that are the gradients of scalar potentials. Among all admissible flows that are compatible with the population dynamics, gradient flows are optimal in a specific sense: they minimize kinetic energy. The selection of fields based on different criteria corresponds to a gauge freedom when determining population dynamics, which we leverage in this work. We propose Non-Gradient Inference Flows (NGIF), an
algorithm to infer non-gradient population dynamics using a weak formulation of the continuity equation. This allows us to parameterize general vector fields and choose other selection criteria beyond minimal kinetic energy. We demonstrate on a variety of low- and high-dimensional physics problems that this more general approach improves distributional accuracy over gradient-restricted baselines and better captures non-potential transport.
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Machine Learning · Cross-listed from cs.AI
RECTOR: Priority-Aware Rule-Based Reranking for Compliance-Aware Autonomous Driving Trajectory Selection
Hadi Hajieghrary, Benedikt Walter, Chaitanya Shinde et al. (+2 more)
Autonomous driving stacks must pick one trajectory from a multi-modal candidate set; choosing by model confidence ignores safety, traffic-law, and comfort constraints. We present RECTOR (Rule-Enforced Constrained Trajectory Orchestrator), a post-generation reranking layer that scores candidates against a tiered rulebook (Safety~$\succ$~Legal~$\succ$~Road~$\succ$~Comfort) via differentiable proxies and a scene-conditioned applicability mechanism, then selects with a deterministic $\varepsilon$-lexicographic rule that preserves cross-tier priority by construction – without retraining the predictor. On the Waymo Open Motion
Dataset validation\_interactive split (43{,}219 augmented instances, $K{=}6$), under Protocol~B (28-rule proxy catalog, oracle applicability) rule-aware selection cuts Safety+Legal violations from 28.58% to 20.42% and Total from 40.32% to 32.41% versus confidence-only on the same candidates. A uniform-weight weighted-sum baseline matches binary compliance on this
benchmark – the empirical lift comes from rule-aware ranking, while the lexicographic guarantee is the structural differentiator no weight calibration can replicate. Under
adversarial confidence corruption, confidence-only selection fails in 100% of scenarios while both rule-aware selectors reject the injected mode in $\sim$96%. All figures are proxy-evaluator results (not a safety certificate), open-loop, 5\,s horizon, U.S.\ rules, validation split.
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All authors Hadi Hajieghrary, Benedikt Walter, Chaitanya Shinde, Paul Schmitt, Miguel Hurtado
Machine Learning · Cross-listed from cs.IT
Polynomial Context-Truncation Sensitivity in Autoregressive Language Models: Sequential Wyner-Ziv Bounds for KV Cache Compression
Munsik Kim
We study the rate-distortion limits of online KV cache compression in autoregressive
language models, formulating it as sequential Wyner-Ziv source coding on the filtration induced by the model, with the next-step query as decoder side information. Empirically, across four models spanning two families and $0.5$-$3$B parameters, we find that the next-
token distribution's sensitivity to context truncation decays polynomially rather than geometrically: a power law improves on an exponential fit by an order of magnitude in extrapolation, the fitted exponent is recovered independently from a sink-plus-recent KL measurement, and the decay is verified to be free of positional-encoding artifacts by a position-preserving ablation. Under a corresponding
polynomial truncation-sensitivity assumption, our main result characterizes the per-
token memory requirement of suffix-only cache policies: a sliding-window scheme attains distortion $\varepsilon$ with window $w = O(\varepsilon^{-1/\alpha})$, and – under an additional two-sided Bayes-risk condition – a converse shows $w = \Omega(\varepsilon^{-1/\alpha})$ is necessary within this policy class, so the scaling is $\Theta(\varepsilon^{-1/\alpha})$ for suffix-only policies. Whether recurrent or propagating cache summaries can beat this scaling is left open. An explicit block-Markov scheme achieves the upper bound; its rate-of-convergence exponent matches the converse under additional forward-decay and regularity hypotheses (not implied by truncation sensitivity alone), and differs by a factor of two otherwise. Empirically, the
polynomial law predicts the degradation curves of concrete cache policies: recency-based eviction (sliding, sink-plus-recent) suppresses distortion by roughly two orders of magnitude over random retention at equal budget, with a power-law decay in the budget.
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Machine Learning · Cross-listed from cs.CR
Security in the Fine-Tuning Lifecycle of Large Language Models: Threats, Defenses,Evaluation, and Future Directions
Wenjuan Li, Yitao Liu, Runze Chen et al. (+1 more)
Background: Fine-tuning is central to adapting pre-trained Large
Language Models (LLMs) to downstream tasks, but its reliance on training data, parameter updates, and reusable components opens entry points for attackers. Threats have evolved from data poisoning and weight tampering to
agent manipulation and interface exploitation, yet existing reviews lack a unified framework spanning the full fine-tuning lifecycle. Objective: This paper presents a systematic survey of LLM fine-tuning security and establishes a lifecycle-based framework for comparing attacks and defenses, complemented by unified empirical evaluation. Methods: We divide attack and defense mechanisms into three phases by intervention timing: pre-tuning, during-tuning, and post-tuning. Within each phase, strategies are reviewed and contrasted to expose their
evolution and limitations. Representative methods are then evaluated under a unified model, hardware, and protocol setup, with cross-phase experiments pairing attacks and defenses from different phases. Results: Attack effectiveness is highly model-dependent and non-monotonic with scale: weight-editing attacks effective on earlier models lose impact on modern open-source LLMs; cross-lingual
backdoor transfer, reported as near-perfect at larger scales, fails entirely on tested 1B-4B models; and purely benign samples can compromise safety
alignment in instruction-tuned models. Single-phase defenses rarely generalize across phases, and defense effectiveness depends jointly on model architecture and
alignment state. Conclusion: We identify key open problems (configuration-robust defense, cross-phase defense composition, and
embedding-space attacks beyond behavioral assumptions) and propose concrete future research directions.
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All authors Wenjuan Li, Yitao Liu, Runze Chen, Rajkumar Buyya
Machine Learning · Cross-listed from quant-ph
QML-PipeGuard: Detecting Channel-Substitution Attacks on Quantum Machine Learning Pipelines in Untrusted Clouds
Esra Yeniaras
As machine-learning workloads move onto
quantum hardware they inherit a trust problem classical AI deployments have largely solved and
quantum ones have not:
quantum machine learning (QML) is already sold as a cloud service, and a customer cannot check that the
circuit they paid for is actually the
circuit that ran. We show the gap is exploitable. A malicious or cost-cutting provider can substitute the declared
quantum channel with one that reproduces every accuracy test the customer performs, passes the single-observable checks used in practice, and still differs from the declared computation at the channel level. We call this a channel-substitution attack and instantiate it in three deployments: audit evasion, service downgrade, and result forgery in reproducibility review. QML-PipeGuard detects the attack at runtime from measurement statistics the customer already collects. Its guarantee is two-sided, stated in the distance a local verifier measures: any substitution shifting a single-
qubit output marginal by $\delta$ in trace norm forces a contract deviation of at least $\delta/\sqrt{3}$, the constant tight and independent of
qubit count; the guarantee is relative to the chosen observable family and reference-input set. For local-
unitary substitutions the adversary's blind set is characterised exactly, as a commutation condition, which gives the defender a rule for choosing challenge inputs that shrinks it. A finite-shot budget rule bounds false accepts and false alarms at once, one tolerance separates attack from the benign drift observed here, and every decision enters a hash-anchored audit trail. On an IBM Heron r2 processor a substituted
quantum-kernel intrusion-detection pipeline evades the weak contract and our verifier halts it, while the honest channel stays within tolerance.
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