Machine Learning
Graph-Structured Hyperdimensional Computing for Data-Efficient and Explainable Process-Structure-Property Prediction
Jingzhan Ge, Ajeeth Vellore, Ajinkya Palwe et al. (+5 more)
Multiphoton photoreduction enables high-fidelity fabrication of complex 3D microstructures, yet reliable process-structure-property (PSP) prediction remains difficult because the available data are sparse, heterogeneous, and interaction-dominated. In this regime, conventional feature-vector models are statistically underdetermined, making them prone to spurious correlations, poor regime transfer, and unstable post hoc explanations, whereas mechanistic pipelines depend on calibrated submodels that are rarely available during early process development. We present PSP-HDC, a graph-structured hyperdimensional computing framework that encodes a directed PSP graph as an internal prior for representation, inference, and explanation. A trainable scalar-to-hypervector encoder learns parameter-specific
embeddings on a fixed hyperdimensional basis to accommodate heterogeneous scales and noise. Sample representations are then composed through graph-aligned binding and bundling along directed PSP dependencies, and prediction is performed by associative-
memory retrieval against class prototypes. Because the same prototype
memories support both decision making and attribution, PSP-HDC provides intrinsic explanations at the parameter, group, and within-group levels, while
memory alignment and separation quantify prototype formation during training. On sheet-resistance regime prediction for the 3D platform, PSP-HDC achieves an accuracy of 0.910 +/- 0.077 over 1000 random splits and 0.896 under process-fold generalization, outperforming strong baselines.
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All authors Jingzhan Ge, Ajeeth Vellore, Ajinkya Palwe, Ahsan Khan, David Gorsich, Matthew P. Castanier, SeungYeon Kang, Farhad Imani
Machine Learning
Bayesian Sensitivity of Causal Inference Estimators under Evidence-Based Priors
Nikita Dhawan, Daniel Shen, Leonardo Cotta et al. (+1 more)
Causal inference, especially in observational studies, relies on untestable assumptions about the true data-generating process. Sensitivity analysis helps us determine how robust our conclusions are when we alter these underlying assumptions. Existing frameworks for sensitivity analysis are concerned with worst-case changes in assumptions. In this work, we argue that using such pessimistic criteria can often become uninformative or lead to conclusions contradicting our prior knowledge about the world. To demonstrate this claim, we generalize the recent s-value framework (Gupta & Rothenhäusler, 2023) to estimate the sensitivity of three different common assumptions in causal inference. Empirically, we find that, indeed, worst-case conclusions about sensitivity can rely on unrealistic changes in the data-generating process. To overcome this, we extend the s-value framework with a new sensitivity analysis criterion:
Bayesian Sensitivity Value (BSV), which computes the expected sensitivity of an estimate to assumption violations under priors constructed from real-world evidence. We use Monte Carlo approximations to estimate this quantity and illustrate its applicability in an observational study on the effect of diabetes treatments on weight loss.
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All authors Nikita Dhawan, Daniel Shen, Leonardo Cotta, Chris J. Maddison
Machine Learning · Cross-listed from cs.CL
Tool Calling is Linearly Readable and Steerable in Language Models
Zekun Wu, Ze Wang, Seonglae Cho et al. (+4 more)
Language-model
agents can take real actions by calling tools, so choosing the wrong tool can cause errors that are difficult to undo. Most evaluations only observe the tool choice after the model generates a call. We read this choice from the model before generation, and we steer it. For each tool, we average the model's hidden states from a few example requests to obtain a tool vector. Comparing a new request with these tool vectors predicts which tool it needs. The difference between two tool vectors gives a steering direction that can move the model toward a chosen tool without retraining. Across eight instruction-tuned models from 4B to 27B parameters, steering changes the generated call to a chosen target tool in 56-78% of held-out tool pairs, depending on the model. We also observe steering on real APIs from $\tau$-bench and ToolBench, though less reliably. At the final layer, steering could work simply by raising the score of the target tool name. To test this, we compare the steering direction with a direction that only raises that score, layer by layer. In the middle layers, on the three models we examine in depth, the steering direction switches more calls than the score-raising direction. So the tool vectors capture part of the tool choice before the final layer. The same tool vectors also help identify likely tool-selection errors before generation. Calls are more likely to be wrong when a request is similarly close to two tool vectors. Across four models, this signal achieves an AUROC of 0.61-0.78 and outperforms a first-
token confidence baseline on three of them. Together, these results suggest that the model's hidden state provides a way to read, steer, and check tool choice before a call is made.
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All authors Zekun Wu, Ze Wang, Seonglae Cho, Yufei Yang, Adriano Koshiyama, Sahan Bulathwela, Maria Perez-Ortiz
Machine Learning
Where's the Plan? Locating Latent Planning in Language Models with Lightweight Mechanistic Interventions
Nicole Ma and Nick Rui
We study planning site formation in
language models – where internal representations of structurally-constrained future
tokens form during the forward pass, and whether they causally drive generation. Using rhyming-couplet completion as a clean test of forward-looking constraint, we apply two lightweight methods (linear probing and activation patching) across Qwen3, Gemma-3, and Llama-3 at more than ten scales. Probing shows that future-rhyme information is linearly decodable at the line boundary, with signal that strengthens with scale in all three families. Activation patching reveals that only Gemma-3-27B causally relies on this encoding, exhibiting a handoff in which the causal driver migrates from the rhyme word to the line boundary around layer 30. Every other model we test conditions on the rhyme word throughout generation, with near-zero causal effect at the line boundary despite strong probe signal. We localize the Gemma-3-27B handoff to five
attention heads through two-stage path patching that recover ~90% of the rhyme-routing capacity at the newline.
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Machine Learning
Susceptibilities and Patterning: A Primer on Linear Response in Bayesian Learning
Chris Elliott and Daniel Murfet
These notes introduce the theory of susceptibilities as developed in [arXiv:2504.18274, arXiv:2601.12703] for interpreting neural networks. The susceptibility of an observable $\phi$ to a data perturbation is defined as a derivative of a posterior expectation, which by the fluctuation–dissipation
theorem equals a posterior covariance. Different choices of $\phi$ yield different objects: per-sample losses give the influence
matrix (the
Bayesian influence function of [arXiv:2509.26544]), while component-localized observables give the structural susceptibility
matrix that pairs model components with data patterns. The susceptibility
matrix is (up to a factor of $n\beta$) the Jacobian of the map from data distributions to structural coordinates; its pseudo-inverse provides a linearized solution to the patterning problem of [arXiv:2601.13548]: finding data perturbations that produce a desired structural change. We motivate the theory from its statistical-mechanical foundations, then give a detailed exposition of susceptibilities, their empirical
estimators, and their connection to the geometry of the loss landscape.
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Machine Learning
Self-Play Enhancement via Advantage-Weighted Refinement in Online Federated LLM Fine-Tuning
Seohyun Lee, Wenzhi Fang, Dong-Jun Han et al. (+2 more)
Recent works have advanced feedback-based learning systems, whereby a foundation model is able to intake incoming feedback (e.g., from a user) to self-improve, creating a self-loop system of training. However, existing works are limited in needing to consider an offline setup to allow for such feedback-based methods, requiring privileged ground-truth contexts for training. Moreover, there is limited consideration of
federated learning (FL), which is particularly well-suited for incorporating external feedback across large networks of end users, for example, but requires methods to be efficient for training on resource-constrained edge devices. Therefore, we introduce SPEAR (Self-Play Enhancement via Advantage-Weighted Refinement), an efficient online learning
algorithm for
federated LLM fine-tuning. SPEAR utilizes a feedback-guided self-play loop to construct naturally contrastive pairs per
prompt which are used to train the model with (i) standard maximum likelihood on satisfactory completions and (ii) confidence-weighted unlikelihood on tail
tokens of unsatisfactory completions. SPEAR requires only an interaction-level binary satisfaction signal together with non-answer feedback, without requiring a ground-truth answer to be provided, and does not need expensive group generations, meaning training both online and in a resource-efficient manner is feasible. We validate SPEAR across various
benchmark datasets, demonstrating its superior performance in comparison to relevant baselines.
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All authors Seohyun Lee, Wenzhi Fang, Dong-Jun Han, Seyyedali Hosseinalipour, Christopher G. Brinton
Machine Learning
It Just Takes Two: Scaling Amortized Inference to Large Sets
Antoine Wehenkel, Michael Kagan, Lukas Heinrich et al. (+1 more)
Neural posterior estimation has emerged as a powerful tool for amortized inference, with growing adoption across scientific and applied domains. In many of these applications, the conditioning variable is a set of observations whose elements depend not only on the target but also on unknown factors shared across the set. Optimal inference therefore requires treating the set jointly, which in turn requires training the
estimator at the deployment set size – a regime where
memory and compute quickly become prohibitive. We introduce a simple, theoretically grounded strategy that decouples representation learning from posterior modeling. Our method trains a mean-pool Deep Set on sets of size at most two, producing an encoder that generalizes to arbitrary set sizes. The inference head is then finetuned on pre-aggregated
embeddings, making training cost essentially independent of the deployment set size N. Across scalar, image, multi-view 3D, molecular, and high-dimensional conditional generation
benchmarks with N in the thousands, our approach matches or outperforms standard baselines at a fraction of the compute.
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All authors Antoine Wehenkel, Michael Kagan, Lukas Heinrich, Chris Pollard
Machine Learning · Cross-listed from cs.CV
DVD: Discrete Voxel Diffusion for 3D Generation and Editing
Zhengrui Xiang, Jiaqi Wu, Fupeng Sun et al. (+2 more)
We introduce Discrete Voxel
Diffusion (DVD), a discrete
diffusion framework to generate, assess, and edit sparse voxels for SLat (Structured LATent) based 3D generative pipelines. Although discrete
diffusion has not generally displaced continuous
diffusion in image-like generation, we show that it can be an effective first-stage prior for sparse voxel scaffolds. By treating voxel occupancy as a native discrete variable, DVD avoids continuous-to-discrete thresholding and provides a simple framework for voxel generation, uncertainty estimation, and editing. Beyond quality gains, DVD provides more interpretable generation dynamics through explicit categorical modeling. Furthermore, we leverage the predictive
entropy as a robust uncertainty metric to identify ambiguous voxel regions and complicated samples, facilitating tasks such as data filtering and quality assessment. Finally, we propose a lightweight fine-tuning strategy using block-structured perturbation patterns. This approach empowers the model to inpaint and edit voxels within a single sampling round, requiring negligible auxiliary computation and no additional model evaluations. Code is available at https://github.com/TeCai/DVD.
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All authors Zhengrui Xiang, Jiaqi Wu, Fupeng Sun, Heliang Zheng, Yingzhen Li
Machine Learning · Cross-listed from math.ST
Linear Response Estimators for Singular Statistical Models
Chris Elliott and Daniel Murfet
We define susceptibilities as a measure of the response of an observable quantity of a parameterized statistical model to a perturbation of the data for a general class of observables. We define
estimators for these susceptibilities as statistics in a sequence of n data-points and prove that these
estimators are consistent and asymptotically unbiased in the large n regime.
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Machine Learning
When Diffusion Model Can Ignore Dimension: An Entropy-Based Theory
Ahmad Aghapour and Erhan Bayraktar
Diffusion models perform remarkably well on high-dimensional data such as images, often using only a modest number of reverse-time steps. Despite this practical success, existing convergence theory does not fully explain why such samplers remain efficient in high dimensions. Many prior KL guarantees bound the discretization error in terms of the ambient dimension, while other improved results replace this dependence using intrinsic-dimensional or
geometric structure assumptions. In this work, we develop an alternative information-theoretic perspective on
diffusion sampler convergence. We prove that, for Gaussian mixture targets, the discretization error is controlled by the Shannon
entropy of the latent mixture component rather than by the ambient dimension. Consequently, the leading step complexity scales linearly with latent
entropy and depends only logarithmically on the second moment of the data. Our analysis also extends to discrete target distributions, where the relevant complexity is the
entropy of the target rather than the dimension of the
embedding space. These results suggest that
diffusion sampling can remain efficient in high-dimensional spaces when the data distribution admits a compact latent representation, as is widely believed to be the case for natural images.
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Machine Learning · Cross-listed from stat.ML
Asymptotically Log-Optimal Bayes-Assisted Confidence Sequences for Bounded Means
Valentin Kilian, Stefano Cortinovis and François Caron
Confidence sequences based on test martingales provide time-uniform uncertainty quantification for the mean of bounded i.i.d. observations without parametric distributional assumptions. Their practical efficiency, however, depends strongly on the choice of martingale updates, and many existing constructions do not exploit prior information about plausible data-generating distributions or mean values. We propose a Bayes-assisted framework that uses a
Bayesian working predictive model to adaptively construct confidence sequences. For each candidate mean and time point, the predictive distribution selects, among valid one-step martingale factors, the update maximising predictive expected log-growth; validity is therefore preserved even when the prior or working model is misspecified. We prove that if the predictive distribution is Wasserstein-consistent, the resulting procedure is asymptotically log-optimal, matching the per-sample log-growth of an oracle procedure with access to the true distribution. We instantiate the framework using robust predictives based on Dirichlet-process mixtures and
Bayesian exponentially tilted empirical likelihood. Experiments on synthetic data, sequential best-arm identification for LLM evaluation, and prediction-powered inference show that informative priors can substantially reduce confidence-sequence width and sampling effort while retaining anytime-valid coverage.
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Machine Learning
Aggregation in conformal e-classification
Vladimir Vovk
Aggregating conformal predictors is a standard way of balancing their predictive and computational efficiency while retaining their validity, at least approximately. An important advantage of conformal e-predictors is that they are easier to aggregate without sacrificing their validity. This paper studies experimentally cross-conformal e-prediction, which is an existing method of aggregating conformal e-predictors, and its modifications that are conceptually simpler and more flexible.
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Machine Learning
FLAM: Evaluating Model Performance with Aggregatable Measures in Federated Learning
Fabian Stricker, Jose A. Peregrina, David Bermbach et al. (+1 more)
Performance evaluation is essential for assessing the quality of machine learning (ML) models and guiding deployment decisions. In
federated learning (FL), assessing the performance is challenging because data are distributed across participants. Consequently, the coordinator must rely on locally computed evaluation metrics and aggregate them to assess the global model. A key challenge is that common aggregation strategies, such as weighted averaging based on the local samples per participant, do not always produce the same results as centralized evaluation. Existing definitions of performance evaluation are largely tailored to accuracy and do not generalize to other metrics, leading to inconsistencies between participant-based and centralized evaluation. However, such discrepancies are inconsistent with the FL objective and lead to a wrong calculation of the metric. To address this issue, we examine the underlying reasons for these discrepancies and propose FLAM, a performance evaluation method based on aggregatable measures that yields the same results as centralized evaluation without the need for a global test
dataset.
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All authors Fabian Stricker, Jose A. Peregrina, David Bermbach, Christian Zirpins
Machine Learning
Graph Representation Learning Augmented Model Manipulation on Federated Fine-Tuning of LLMs
Hanlin Cai, Kai Li, Houtianfu Wang et al. (+4 more)
Federated fine-tuning (FFT) has emerged as a
privacy-preserving paradigm for collaboratively adapting large
language models (LLMs). Built upon
federated learning, FFT enables distributed
agents to jointly refine a shared pretrained LLM by aggregating local LLM updates without sharing local raw data. However, FFT-based LLMs remain vulnerable to model manipulation threats, in which
adversarial participants upload manipulated LLM updates that corrupt the aggregation process and degrade the performance of the global LLM. In this paper, we propose an Augmented Model maniPulation (AugMP) strategy against FFT-based LLMs. Specifically, we design a novel graph representation learning framework that captures feature correlations among benign LLM updates to guide the generation of malicious updates. To enhance manipulation effectiveness and stealthiness, we develop an iterative manipulation
algorithm based on an augmented Lagrangian dual formulation. Through this formulation, malicious updates are optimized to embed
adversarial objectives while preserving benign-like parameter characteristics. Experimental results across multiple LLM backbones demonstrate that the AugMP strategy achieves the strongest manipulation performance among all competing baselines, reducing the global LLM accuracy by up to \(26\%\) and degrading the average accuracy of local LLM
agents by up to \(22\%\). Meanwhile, AugMP maintains high statistical and
geometric consistency with benign updates, enabling it to evade conventional distance- and similarity-based defense methods.
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All authors Hanlin Cai, Kai Li, Houtianfu Wang, Haofan Dong, Yichen Li, Falko Dressler, Ozgur B. Akan
Machine Learning
Convergent Stochastic Training of Multi-Headed Attention and Understanding LoRA
Zhengkai Sun, Dibyakanti Kumar, Alejandro F Frangi et al. (+2 more)
Transformers have revolutionized machine learning and deploying
attention layers in the model is increasingly standard across a myriad of applications. Further, for large models, it is common to implement Low Rank Adaptation (LoRA), whereby a factorized parameterization of them is trained, to achieve a surprisingly beneficial accuracy-size trade-off. In this work, via a unified framework we rigorously establish trainability of such models under
stochastic methods. We prove that for a class of mild regularizations, the empirical regression loss on a
attention layer and LoRA on a shallow neural net, both induce Poincaré inequality for the corresponding Gibbs' measure. Crucially, we show that the Poincaré constant is free of the data dimension for LoRA and for multi-head
attention it is free of the head dimensions, Then it follows, via invoking recent results, that a certain SDE, which mimics the SGD, minimizes the corresponding losses. In both the cases, our first-of-its-kind results of trainability on
attention and nets, do not use any assumptions on the data or the model size.
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All authors Zhengkai Sun, Dibyakanti Kumar, Alejandro F Frangi, Anirbit Mukherjee, Mingfei Sun
Machine Learning
Slowly Annealed Langevin Dynamics: Theory and Applications to Training-Free Guided Generation
Atsushi Nitanda, Dake Bu, Yueming Lyu et al. (+1 more)
We study Slowly Annealed Langevin Dynamics (SALD), a sampler for tracking a path of moving target distributions and approximating the terminal target through time slowdown. We establish non-asymptotic convergence guarantees via a KL differential inequality, showing that slowdown improves tracking through contraction of intermediate targets and the complexity of the path. Motivated by training-free guided generation with pretrained score-based generative models, we further introduce Velocity-Aware SALD (VA-SALD), which explicitly incorporates the underlying marginal distributions of the pretrained model and uses slowdown to correct the additional deviation induced by guidance. This yields a principled framework for training-free guided generation for
diffusion-based and related generative model families, together with convergence guarantees that clarify the roles of intermediate functional inequalities and guidance bias. Code is available at https://github.com/anitan0925/sald.
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All authors Atsushi Nitanda, Dake Bu, Yueming Lyu, Tanya Veeravalli
Machine Learning · Cross-listed from cs.CE
Exploring the non-convexity in machine learning using quantum-inspired optimization
Kandula Eswara Sai Kumar, Parth Dhananjay Danve, Abhishek Chopra et al. (+1 more)
The escalating complexity of modern machine learning necessitates solving challenging non-convex optimization problems, particularly in high-dimensional regimes and scenarios contaminated by gross outliers. Traditional approaches, relying on convex relaxations or specialized local search heuristics, frequently succumb to suboptimal local minima and fail to recover the true underlying discrete structures. In this paper, we propose treating these non-convex challenges as a global search problem and introduce a unified framework based on
Quantum-Inspired Evolutionary Optimization (QIEO). By leveraging a probabilistic representation inspired by
quantum superposition, QIEO maintains a global view of the search space, enabling it to tunnel through local optima that trap conventional gradient-based and greedy solvers. We comprehensively evaluate QIEO across diverse non-convex applications, including sparse signal recovery (gene expression analysis and compressed sensing) and robust linear regression. Extensive benchmarking against state-of-the-art continuous solvers (ADAM, Differential
Evolution), classical metaheuristics (Genetic
Algorithms), and specialized non-convex
algorithms (Iterative Hard Thresholding) demonstrates that QIEO consistently achieves superior structural fidelity, lower mean squared error, and enhanced robustness without support inflation. Our findings suggest that embracing a
quantum-inspired global search provides a resilient, unified paradigm for overcoming the inherent intractability of discrete nonconvex machine learning landscapes.
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All authors Kandula Eswara Sai Kumar, Parth Dhananjay Danve, Abhishek Chopra, Rut Lineswala
Machine Learning · Cross-listed from cs.RO
TAVIS: A Benchmark for Egocentric Active Vision and Anticipatory Gaze in Imitation Learning
Giacomo Spigler
Active
vision – where a policy controls its own gaze during manipulation – has emerged as a key capability for imitation learning, with multiple independent systems demonstrating its benefits in the past year. Yet there is no shared
benchmark to compare approaches or quantify what active
vision contributes, on which task types, and under what conditions. We introduce TAVIS, evaluation infrastructure for active-
vision imitation learning, with two complementary task suites – TAVIS-Head (5 tasks, global search via pan/tilt necks) and TAVIS-Hands (3 tasks, local occlusion via wrist cameras) – on two
humanoid torso embodiments (GR1T2, Reachy2), built on IsaacLab. TAVIS provides three evaluation primitives: a paired headcam-vs-fixedcam protocol on identical demonstrations; GALT (Gaze-Action Lead Time), a novel metric grounded in cognitive science and HRI that quantifies anticipatory gaze in learned policies; and procedural ID/OOD splits. Baseline experiments with
Diffusion Policy and $\pi_0$ reveal that (i) active
vision generally helps, consistently across training runs, but benefits are task-conditional rather than uniform; (ii) multi-task policies degrade sharply under controlled distribution shifts on both suites; and (iii) imitation alone yields anticipatory gaze that lands on the task-relevant object, with lead times comparable to those of the human demonstrations, although head motion is less smooth than in the demonstrations, an effect of action chunking that success rate does not reveal. Code and evaluation scripts are released at https://github.com/spiglerg/tavis; demonstrations (LeRobot v3.0; ~2200 episodes) and trained baselines at https://huggingface.co/tavis-
benchmark.
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Machine Learning
Prototype Guided Post-pretraining for Single-Cell Representation Learning
Sachini Weerasekara, Natasha Darras, Sagar Kamarthi et al. (+2 more)
Single-
cell representation learning (SCRL) from gene expression data offers a way to uncover the complex regulatory logic underlying cellular function. Inspired by large
language models in natural
language modeling, several single-
cell pretrained models have recently been proposed that treat genes as
tokens and
cells as sentences. However, these models are fundamentally limited by the long-tailed nature of
cell-type distributions and struggle to generalize under
covariate shifts in gene expression data. While fine-tuning is often used to mitigate these issues, we observe that performance remains bounded. To address this challenge, we introduce CellRefine, a post-pretraining method that operates between the pretraining and fine-tuning stages of a single-
cell foundation model. CellRefine uses a multi-faceted objective that incorporates marker-gene sets as structural priors to guide post-pretraining and refine the latent
embedding manifold of
cells. Across multiple computational biology tasks, empirical results show that CellRefine consistently improves downstream performance, yielding gains up to 15%.
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All authors Sachini Weerasekara, Natasha Darras, Sagar Kamarthi, Colles Price, Jacqueline Isaacs
Machine Learning
INO-SGD: Addressing Utility Imbalance under Individualized Differential Privacy
Xiao Tian, Jue Fan, Rachael Hwee Ling Sim et al. (+1 more)
Differential
privacy (DP) is widely employed in machine learning to protect confidential or sensitive training data from being revealed. As data owners gain greater control over their data due to personal data ownership, they are more likely to set their own
privacy requirements, necessitating individualized DP (IDP) to fulfil such requests. In particular, owners of data from more sensitive subsets, such as positive cases of stigmatized diseases, likely set stronger
privacy requirements, as leakage of such data could incur more serious societal impact. However, existing IDP
algorithms induce a critical utility imbalance problem: Data from owners with stronger
privacy requirements may be severely underrepresented in the trained model, resulting in poorer performance on similar data from subsequent users during deployment. In this paper, we analyze this problem and propose the INO-SGD
algorithm, which strategically down-weights data within each batch to improve performance on the more private data across all iterations. Notably, our
algorithm is specially designed to satisfy IDP, while existing techniques addressing utility imbalance neither satisfy IDP nor can be easily adapted to do so. Lastly, we demonstrate the empirical feasibility of our approach.
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All authors Xiao Tian, Jue Fan, Rachael Hwee Ling Sim, Bryan Kian Hsiang Low
Machine Learning
Trajectory as the Teacher: Few-Step Discrete Flow Matching via Energy-Navigated Distillation
Amin Karimi Monsefi, Dominic Culver, Nikhil Bhendawade et al. (+3 more)
Discrete flow matching generates text by iteratively transforming noise
tokens into coherent
language, but may require hundreds of forward passes.
Distillation uses the multi-step trajectory to train a student to reproduce the process in a few steps. When the student underperforms, the usual explanation is insufficient capacity. We argue the opposite: the trajectory is the bottleneck, not the student. Each training trajectory is built through a chain of blind
stochastic jumps with no evaluation of sequence quality; a single bad decision at an early midpoint propagates through subsequent steps, yet the student must imitate the result. Trajectory-Shaped Discrete Flow Matching (TS-DFM) replaces these blind jumps with guided
navigation: a lightweight energy compass evaluates candidate continuations at each midpoint, selecting the most coherent. All shaping is training-only; inference cost is unchanged. On 170M-parameter
language modeling, the shaped student at 8 steps achieves 32% lower perplexity than the 1,024-step teacher while being 128x faster, with gains consistent across source distributions and three evaluators of increasing scale. TS-DFM achieves the best perplexity of any discrete-generation baseline we compare against, including methods trained on 6x more data or using 5x larger models.
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All authors Amin Karimi Monsefi, Dominic Culver, Nikhil Bhendawade, Manuel R. Ciosici, Yizhe Zhang, Irina Belousova
Machine Learning
Tree SAE: Learning Hierarchical Feature Structures in Sparse Autoencoders
Tue M. Cao, Hoang X. Nhat, Raed Alharbi et al. (+2 more)
Learning hierarchical features in Sparse Autoencoders (SAEs) is essential for capturing the structured nature of real-world data and mitigating issues like feature absorption or splitting. Existing works attempt to identify hierarchical relationships within independent feature sets by relying on activation coverage, the assumption that child feature should only activate when its parent feature activates. However, we demonstrate that this condition alone is insufficient; that is, it often produces false positives where parent and child concepts are semantically unrelated. To address this, we introduce a novel reconstruction condition that enforces a deeper functional link between hierarchical levels. By combining both activation and reconstruction constraints, we propose the Tree SAE, a model designed to learn hierarchical structures directly from within the feature set. Our results demonstrate that Tree SAEs significantly surpass the existing SAEs at learning hierarchical pairs while maintaining competitive performance to the state-of-the-art on several key
benchmarks. Finally, we demonstrate the practical utility of our Tree SAE in mapping the geometry of child feature subspaces and uncovering the complex hierarchical concept structures encoded within large
language models.
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All authors Tue M. Cao, Hoang X. Nhat, Raed Alharbi, Phi Le Nguyen, My T. Thai
Machine Learning
Flatness and Gradient Alignment Are Both Necessary: Spectral-Aware Gradient-Aligned Exploration for Multi-Distribution Learning
Aristotelis Ballas and Christos Diou
Sharpness-aware and gradient-
alignment methods have been shown to improve generalization, however each family of methods targets a single
geometric property of the loss landscape, while ignoring the other. In this paper, we show that this omission is structurally unavoidable and that both flatness and gradient
alignment should be considered in multi-distribution learning settings. Specifically, we derive an excess-risk decomposition that yields two additive leading-order terms: (i) an
alignment term, controlled by the trace of $\bar{H}^{-1}\Sigma_g$ and (ii) a
curvature term, controlled by $\bar{H}$, where $\bar{H}$ is the average Hessian and $\Sigma_g$ is the covariance of the gradient across distributions. Notably, $\bar{H}$ appears inverted in one and non-inverted in the other. We further show, via a counterexample, that neither quantity bounds the other in general, so no
algorithm targeting only one term can guarantee low excess risk. Motivated by this decomposition, we propose SAGE (Spectral-Aware Gradient-Aligned Exploration) that targets both terms. The
curvature component replaces SAM's gradient-scaled perturbation with the polar factor of each layer's gradient
matrix, computed via Newton-Schulz iteration, so that the ascent step probes all directions with similar magnitude. On the other hand, the
alignment component injects isotropic noise at the descent step, the magnitude of which scales with cross-distribution gradient disagreement. Experiments on five domain-generalization and two multi-task learning
benchmarks show that the proposed method establishes a new state-of-the-art on DomainBed and acts as a general-purpose improvement to base MTL solvers, remaining competitive with, or even surpassing, state-of-the-art methods.
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Machine Learning · Cross-listed from math.ST
Statistical inference with belief functions: A survey
Fabio Cuzzolin
Belief functions are a powerful and popular framework for the mathematical characterisation of uncertainty, in particular in situations in which lack of data renders learning a probability distribution for the problem impractical. The first step in a
reasoning chain based on belief functions is inference: how to learn a belief measure from the available data. In this survey we focus, in particular, on making inference from statistical data, and review the most significant contributions in the area.
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Machine Learning · Cross-listed from stat.ML
Consistency Regularised Gradient Flows for Inverse Problems
Alessio Spagnoletti, Tim Y. J. Wang, Marcelo Pereyra et al. (+1 more)
Vision-
Language Latent
Diffusion Models (LDMs) (Rombach et al., 2022) provide powerful generative priors for inverse problems. However, existing LDM-based inverse solvers typically require a large number of neural function evaluations (NFEs) and backpropagation through large pretrained components, leading to substantial computational costs and, in some cases, degraded reconstruction quality. We propose a unified Euclidean-Wasserstein-2 gradient-flow framework that jointly performs posterior sampling and
prompt optimization in the latent space through a single flow that aligns the prior and posterior with the observed data. Combined with few-step latent text-to-image models, this formulation enables low-NFE inference without backpropagation through autoencoders. Experiments across several canonical imaging inverse problems show that our method achieves state-of-the-art performance with significantly reduced computational cost.
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All authors Alessio Spagnoletti, Tim Y. J. Wang, Marcelo Pereyra, O. Deniz Akyildiz
Machine Learning
Curvature Beyond Positivity: Greedy Guarantees for Arbitrary Submodular Functions
Yixin Chen and Alan Kuhnle
Submodular functions – functions exhibiting diminishing returns – are central to machine learning. When the objective is monotone and non-negative, the greedy
algorithm achieves a tight $63\%$ approximation. But many practical objectives incorporate costs that make them negative on some inputs, and all existing multiplicative guarantees require non-negativity. Prior work handles negativity through additive bounds for the special class of decomposable functions and non-monotonicity through partial-monotonicity parameters, but these address each difficulty in isolation and neither extends the classical structural theory. We extend
curvature – a parameter measuring how far a function deviates from linearity – to all submodular functions, handling both non-monotonicity and negativity through a single classical concept. A greedy
algorithm with
pruning achieves a
curvature-controlled multiplicative ratio for any submodular function, including those taking negative values – the first such guarantee beyond monotonicity and non-negativity. In the non-monotone regime $1 \le c_g < 2.2$, the bound strictly beats the best known uniform ratio of $0.401$ (for non-negative $f$), and it recovers the classical $(1-e^{-c_g})/c_g$ guarantee for monotone functions. A multilinear-extension variant extends the framework to general combinatorial constraints via multilinear relaxation. Experiments on cost-penalized experimental design, coverage, feature selection, and a
curvature sweep on Multi-News passage selection support the theory.
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Machine Learning
Adaptive Regularization for Sparsity Control in Bregman-Based Optimizers
Ahmad Aloradi, Tim Roith, Emanuël A. P. Habets et al. (+1 more)
Sparse training reduces the
memory and computational costs of deep neural networks. However, sparse optimization methods, e.g., those adding an $\ell_1$ penalty, often control sparsity only indirectly through a regularization parameter $\lambda$, whose mapping to the final sparsity rate is non-trivial. In our experiments, we found this parameter sensitivity to be particularly pronounced for Bregman-based optimizers. Specifically, the two variants LinBreg and AdaBreg reach the same sparsity at $\lambda$ values that differ by up to two orders of magnitude, requiring expensive trial-and-error sweeps to achieve a user-specified sparsity. To address this, we propose an adaptive regularization scheme that updates $\lambda$ based on the difference between the model's current sparsity and the target sparsity. We analyze the resulting
algorithm and evaluate it on automatic speaker verification with ECAPA-TDNN and ResNet34 on VoxCeleb and CNCeleb. The proposed method reliably achieves sparsity targets ranging between 75% and 99%. It also converges faster than the oracle-tuned non-adaptive baseline during early training and matches or surpasses its final performance in equal error rate. We further show that the adaptive scheme inherits key properties from its non-adaptive counterpart, including improved out-of-distribution robustness over the dense baselines.
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All authors Ahmad Aloradi, Tim Roith, Emanuël A. P. Habets, Daniel Tenbrinck
Machine Learning
Enhancing Federated Quadruplet Learning: Stochastic Client Selection and Embedding Stability Analysis
Ozgu Goksu and Nicolas Pugeault
Federated Learning (FL) enables decentralised model training across distributed clients without requiring data centralisation. However, the generalisation performance of the global model is usually degraded by data heterogeneity across clients, particularly under limited data availability and class imbalance. To address this challenge, we propose FedQuad, a novel method that explicitly enforces minimising intra-class representations while enabling inter-class splits across clients. By jointly minimising distances between positive pairs and maximising distances between negative pairs, the proposed approach mitigates representation misalignment introduced during model aggregation. We evaluate our method on CIFAR-10, CIFAR-100, and Tiny-ImageNet under diverse non-IID settings and varying numbers of clients, demonstrating consistent improvements over existing baselines. Additionally, we provide a comprehensive analysis of metric learning-based approaches in both centralised and
federated environments, highlighting their effectiveness in alleviating representation collapse under heterogeneous data distributions.
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Machine Learning · Cross-listed from stat.ML
Implicit Target Shift in Online Learning: Characterization and Correction
Ziyan Li and Naoki Hiratani
Online learning from a stream of data is a defining feature of intelligence, yet modern machine learning systems often struggle in this setting, especially under distributional shift. To understand its basic properties, we study the relationship between online and offline learning in the context of kernel regression by deriving a closed-form expression for the function learned by online kernel regression. We reveal that online kernel regression is equivalent to offline regression with shifted, inaccurate target outputs. Conversely, we show that by compensating for this implicit target shift in the teaching signal through target correction, online kernel-based learning can provably learn the same predictor as its offline counterpart. We derive both a closed-form expression for this target correction and an iterative form that can be applied sequentially. Applying this framework to continual image classification tasks on domain-incremental Split CIFAR-10 and CORe50, we show that online
stochastic gradient descent with iteratively corrected targets outperforms learning with the true targets. This work therefore provides a basic framework for analyzing and improving online learning in non-stationary environments from the perspective of implicit target shift.
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Machine Learning
Black-box model classification under the discriminative factorization
Hayden Helm, Merrick Ohata and Carey Priebe
Access to modern generative systems is often restricted to querying an API (the “black-box” setting) and many properties of the system are unknown to the user at inference time. Recent work has shown that low-dimensional representations of models based on the relationship of their embedded responses to a set of queries are useful for inferring model-level properties. However, the quality of these representations is highly sensitive to the query set. We introduce the discriminative factorization to distinguish between high- and low-quality query sets in the context of black-box model-level classification. Under this framework, the probability of chance-level classification is bounded by a term that decays exponentially in the query budget. On three
auditing tasks, estimated factorization parameters predict the empirical performance decay rate. We conclude by showing that query sets selected using the estimated factorization reproduce the empirical ordering of oracle query sets.
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