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Social Aspects · Accountability, Transparency, and Interpretability

Ariel Fargion, Lahav Dabah, Tom Tirer

Conformal Prediction (CP) has emerged as a powerful statistical framework for reliable classification, which generates a prediction set, guaranteed to include the true label with a pre-specified probability. The performance of CP methods is typically assessed by their average prediction set size. In setups where the classes can be partitioned into semantic groups, e.g., based on shared downstream actions or more interpretable coarse labels, users can benefit from prediction sets that are not only small but also contain a limited number of groups. This paper begins by addressing this problem and ultimately offers a widely applicable tool for boosting any CP method on any dataset. First, given a class partition, we propose augmenting the CP score function with a term that penalizes predictions with "out-of-group" errors. We theoretically analyze this strategy and prove its advantages for group-related metrics. Surprisingly, we show mathematically that, for common class partitions, it can also reduce the average set size of any CP score function. Our analysis reveals the class similarity factors behind this improvement and motivates us to propose a model-specific variant, which does not require any human semantic partition and can further reduce the prediction set size. Finally, we present an extensive empirical study, encompassing prominent CP methods, multiple models, and several datasets, which demonstrates that our class-similarity-based approach consistently enhances CP methods.

Deep Learning · Other Representation Learning

Moritz Hehl, Max von Renesse, Melanie Weber

Deep neural networks learn feature representations via complex geometric transformations of the input data manifold. Despite the models' empirical success across domains, our understanding of neural feature representations is still incomplete. In this work we investigate neural feature geometry through the lens of discrete geometry. Since the input data manifold is typically unobserved, we approximate it using geometric graphs that encode local similarity structure. We provide theoretical results on the evolution of these graphs during training, showing that nonlinear activations play a crucial role in shaping feature geometry in feedforward neural networks. Moreover, we discover that the geometric transformations resemble a discrete Ricci flow on these graphs, suggesting that neural feature geometry evolves analogous to Ricci flow. This connection is supported by experiments on over 20,000 feedforward neural networks trained on binary classification tasks across both synthetic and real-world datasets. We observe that the emergence of class separability corresponds to the emergence of community structure in the associated graph representations, which is known to relate to discrete Ricci flow dynamics. Building on these insights, we introduce a novel framework for locally evaluating geometric transformations through comparison with discrete Ricci flow dynamics. Our experimental results further suggest connections between the evolution of feature geometry, and training time and network depth.

General Machine Learning · Representation Learning

Li Ju, Mayank Nautiyal, Andreas Hellander, Ekta Vats, Prashant Singh

Vision-Language Models (VLMs) are typically deterministic in nature and lack intrinsic mechanisms to quantify epistemic uncertainty, which reflects the model’s lack of knowledge or ignorance of its own representations. We theoretically motivate negative log-density of an embedding as a proxy for the epistemic uncertainty, where low-density regions signify model ignorance. The proposed method REPVLM computes the probability density on the hyperspherical manifold of the VLM embeddings using Riemannian Flow Matching. We empirically demonstrate that REPVLM achieves near-perfect correlation between uncertainty and prediction error, significantly outperforming existing baselines. Beyond classification, we also demonstrate that the model also provides a scalable metric for out-of-distribution detection and automated data curation.

Deep Learning · Graph Neural Networks

Francesco Ferrini, Veronica Lachi, Antonio Longa, Bruno Lepri, Akiyoshi Matono, Andrea Passerini, Xin Liu, Manfred Jaeger

Handling missing node features is a key challenge for deploying Graph Neural Networks (GNNs) in real-world domains such as healthcare and sensor networks. Existing studies mostly address relatively benign scenarios, namely benchmark datasets with (a) high-dimensional but sparse node features and (b) incomplete data generated under Missing Completely At Random (MCAR) mechanisms. For (a), we theoretically prove that high sparsity substantially limits the information loss caused by missingness, making all models appear robust and preventing a meaningful comparison of their performance. To overcome this limitation, we introduce one synthetic and three real-world datasets with dense, semantically meaningful features. For (b), we move beyond MCAR and design evaluation protocols with more realistic missingness mechanisms. Moreover, we provide a theoretical background to state explicit assumptions on the missingness process and analyze their implications for different methods. Building on this analysis, we propose GNNmim, a simple yet effective baseline for node classification with incomplete feature data. Experiments show that GNNmim is competitive with respect to specialized architectures across diverse datasets and missingness regimes.

Deep Learning · Sequential Models, Time series

Junhuang Huang, Linshan Hou, Jianting Ning, Yanjun Zhang, Zhongyun Hua, Leo Yu Zhang

Continual Learning (CL) continually performs parameter updates, posing a significant challenge to backdoor persistence. In this paper, we reveal that the most advanced attack relies on an implicit assumption that task-critical neurons remain stable across task learning; however, it does not hold in class-incremental learning (CIL). This exposes a critical research gap: the backdoor persistence in CIL is still an open question. Inspired by the function stability despite neuron instability, we discover that the CIL models preserve task knowledge in shallow, structurally invariant subspaces. Motivated by the findings, we propose PBTO, the first persistent and targeted backdoor attack in CIL. PBTO trains a surrogate model on proxy tasks to obtain the parameter trajectory. Then, it optimizes a universal trigger that ensures misclassification to the target label across all model states and anchors trigger embeddings in shallow layers. Experimental results verify that PBTO maintains effectiveness even after learning multiple tasks, while existing methods degrade to below 10\%.

Theory · Learning Theory

Lorne Applebaum, Travis Dick, Claudio Gentile, Haim Kaplan, Tomer Koren

Motivated by problems in online advertising, we address the task of Learning from Label Proportions (LLP). We introduce a novel and versatile low-variance debiasing methodology to learn from aggregate label information, significantly advancing the state of the art in LLP. Our debiasing approach exhibits remarkable flexibility, seamlessly accommodating a broad spectrum of practically relevant loss functions across both binary and multi-class classification settings. By carefully combining our estimators with standard techniques, we improve sample complexity guarantees for a large class of losses of practical relevance. We also empirically validate the efficacy of our proposed approach across a diverse array of benchmark datasets, demonstrating compelling empirical advantages over standard baselines.

Valia Efthymiou, Ekaterina Fedorova, Chara Podimata

Strategic classification examines how decision rules interact with agents who strategically adapt their features. Most existing models focus on maximizing predictive performance, assuming agents best respond to the learned classifier. However, real decision-making systems are rarely optimized solely for accuracy: ethical, economic, and institutional considerations often make some feature changes more desirable than others. At the same time, principals may wish to incentivize these changes fairly across heterogeneous agents. While prior work has studied causal structure between features, notions of desirability, and information disparities in isolation, this work initiates a unified treatment of these components within a single framework. We frame the problem as a constrained optimization problem that captures the trade-offs between optimality, desirability, and fairness. We provide theoretical guarantees on the principal's optimality loss constrained to a particular desirability fairness tolerance for multiple broad classes of fairness measures. Finally, through experiments on real datasets, we show the explicit tradeoff between maximizing accuracy and fairness in desirability effort.

Deep Learning · Graph Neural Networks

Nikolaos Nakis, Chrysoula Kosma, Panagiotis Promponas, Michail Chatzianastasis, Giannis Nikolentzos

Representation learning is central to graph machine learning, powering tasks such as link prediction and node classification. However, most graph embeddings are hard to interpret, offering limited insight into how learned features relate to graph structure. Many networks naturally admit a role-mixture view, where nodes are best described as mixtures over latent archetypal factors. Motivated by this structure, we propose a compositional graph embedding framework grounded in Aitchison geometry, the canonical geometry for comparing mixtures. Nodes are represented as simplex-valued compositions and embedded via isometric log-ratio (ILR) coordinates, which preserve Aitchison distances while enabling unconstrained optimization in Euclidean space. This yields intrinsically interpretable embeddings whose geometry reflects relative trade-offs among archetypes and supports coherent behavior under component restriction; we consider both fixed and learnable ILR bases. Across node classification and link prediction, our method achieves competitive performance with strong baselines while providing explainability by construction rather than post hoc. Finally, subcompositional coherence enables principled component restriction: removing and renormalizing subsets preserves a well-defined geometry, which we exploit via subcompositional dimensionality removal to probe how archetype groups influence representations and predictions.

Applications · Time Series

Zexin Yuan, Qinliang Su, Junxi Xiao

Irregular time series arise ubiquitously in real-world systems, where observations are sparse, asynchronous, and governed by underlying continuous-time dynamics. Existing continuous–discrete state-space models typically rely on path-based variational inference, which is computationally expensive or constrained by restrictive posterior assumptions. We propose SDEVI, a novel framework that performs variational inference directly on the joint distribution over discrete-time observations, while guaranteeing consistency with an underlying continuous process governed by a Stochastic Differential Equation(SDE). SDEVI employs a variational posterior induced by linear time-varying SDEs as a scalable inference backbone. To enable intricate dynamics modeling for real-world data, we introduce non-linear-SDE-induced variational inference and generalize our framework to the complex domain. Extensive experiments across healthcare, physics, climate, and IoT benchmarks demonstrate state-of-the-art performance on interpolation, extrapolation, regression, and classification tasks.

Applications · Computer Vision

Shangze Li, Yifan Xu, Jingmiao Liang, Yongfei Zhang, Yuzhuo Ma, Yingbo Qu

While Vision Transformers (ViTs) offer strong global modeling, their quadratic computational cost limits utility in latency-sensitive applications like person re-identification (ReID). Existing compression strategies, such as token pruning or generic merging, typically rely on coarse-grained criteria tailored for image classification. In fine-grained retrieval, these approaches often discard or smooth out subtle but discriminative local details. To resolve this, we propose SRE-Merge, a training-free framework designed for discriminative token compression. SRE-Merge injects spatial priors into the merging process through three mechanisms: (i) Spatial-Entropy Saliency Assessment (SES-Assess), which quantifies token importance as Spatial-Entropic Mass (SE-Mass) by coupling spatial structure with local attention entropy; (ii) Hybrid Context-Affinity Matching (HCA-Match), which guides precise pair selection by combining feature similarity with mass-derived context; and (iii) Energy-Preserving Weighted Fusion (EPW-Fuse), which incorporates SE-Mass weighting to counteract feature variance reduction. Extensive experiments on standard benchmarks show that SRE-Merge reduces GFLOPs of the base ViT model by about 24\% while maintaining state-of-the-art accuracy, establishing a superior accuracy-efficiency trade-off.

Deep Learning · Robustness

Aymen Bouguerra, Daniel Vasquez, Alexandra Gomez-Villa, Chokri Mraidha, Fabio Arnez

Vision-Language Models (VLMs) such as CLIP have revolutionized zero-shot classification and safety-critical tasks, including Out-of-Distribution (OOD) detection. However, their high computational cost hinders efficient real-world deployment. While quantization is a standard solution for efficiency, its broader impact on reliability metrics beyond simple Top-1 accuracy remains critically under-explored. In this study, we conduct a large-scale evaluation of VLM quantization across a comprehensive experimental suite of over 700k evaluation runs with varying configurations. We find that, contrary to the assumption that quantization's noise degrades performance, it can simultaneously improve accuracy, calibration, OOD detection, and robustness to noise, though not to covariate shift or spurious correlations. We leverage these counterintuitive findings to characterize the mechanics of quantization beyond simple regularization: we show that quantization dampens high-rank spectral components, compelling the model to rely more heavily on robust, low-rank features. Ultimately, this spectral filtering effect drives the observed improvements in generalization and noise tolerance, establishing a pathway to deploy faster, more reliable VLMs by utilizing quantization beyond its conventional role.

Theory · Online Learning and Bandits

Shinsaku Sakaue, Han Bao, Yuzhou Cao

Online structured prediction, including online classification as a special case, is the task of sequentially predicting labels from input features. In this setting, the *surrogate regret*—the cumulative excess of the actual target loss (e.g., 0–1 loss) over the surrogate loss (e.g., logistic loss) incurred by the best fixed estimator—has gained attention because it admits a finite bound independent of the time horizon $T$. However, such guarantees break down in *non-stationary* environments, where every fixed estimator may incur surrogate loss that grows linearly with $T$. To address this limitation, we obtain an upper bound of $F_T + O(1 + P_T)$ on the cumulative target loss, where $F_T$ is the cumulative surrogate loss of any comparator sequence and $P_T$ is its *path length*. This bound depends on $T$ only through $F_T$ and $P_T$, thus offering stronger guarantees under non-stationarity. Our core idea is to combine the dynamic regret analysis of online gradient descent (OGD) with the *exploit-the-surrogate-gap* technique. This viewpoint sheds light on the usefulness of a Polyak-style learning rate for OGD, which systematically yields target-loss bounds and performs well empirically. We then extend our approach to broader settings beyond prior work via the *convolutional Fenchel–Young loss*. Finally, a lower bound shows that the dependence on $F_T$ and $P_T$ is tight.

Applications · Health / Medicine

Darin Tsui, Kunal Talreja, Daniel Saeedi, Amirali Aghazadeh

Protein language models (pLMs) have emerged as powerful predictors of protein structure and function. However, the computational circuits underlying their predictions remain poorly understood. Recent mechanistic interpretability methods decompose pLM representations into interpretable features, but they treat each layer independently and thus fail to capture cross-layer computation, limiting their ability to approximate the full model. We introduce ProtoMech, a framework for discovering computational circuits in pLMs using cross-layer transcoders that learn sparse latent representations jointly across layers to capture the model’s full computational circuitry. Applied to the pLM ESM2, ProtoMech recovers 82–89\% of the original performance on protein family classification and function prediction tasks. ProtoMech then identifies compressed circuits that use <1\% of the latent space while retaining up to 79\% of model accuracy, revealing correspondence with structural and functional motifs, including binding, signaling, and stability. Steering along these circuits enables high-fitness protein design, surpassing baseline methods in more than 70\% of cases. These results establish ProtoMech as a principled framework for protein circuit tracing.

Deep Learning · Graph Neural Networks

Jun Yin, Peng Huo, Bangguo Zhu, Hao Yan, Xuchen Wang, Shirui Pan, Chengqi Zhang

In recent advances, to enable a fully data-driven learning paradigm on relational databases (RDB), relational deep learning (RDL) is proposed to structure the RDB as a heterogeneous entity graph and adopt the graph neural network (GNN) as the predictive model. However, existing RDL methods neglect the imbalance problem of relational data in RDBs and risk under-representing the minority entities, leading to an unusable model in practice. In this work, we investigate, for the first time, class imbalance problem in RDB entity classification and design the relation-centric minority synthetic over-sampling GNN (**Rel-MOSS**), in order to fill a critical void in the current literature. Specifically, to mitigate the issue of minority-related information being submerged by majority counterparts, we design the relation-wise gating controller to modulate neighborhood messages from each individual relation type. Based on the relational-gated representations, we further propose the relation-guided minority synthesizer for over-sampling, which integrates the entity relational signatures to maintain relational consistency. Extensive experiments on 12 entity classification datasets provide compelling evidence for the superiority of Rel-MOSS, yielding an average improvement of up to 2.46% and 4.00% in terms of *Balanced Accuracy* and *G-Mean*, compared with SOTA RDL methods and classic methods for handling class imbalance.

Deep Learning · Sequential Models, Time series

Matteo Pinna, Giacomo Lagomarsini, Andrea Ceni, Claudio Gallicchio

Reservoir Computing (RC) has established itself as an efficient paradigm for temporal processing. However, its scalability remains severely constrained by (i) the necessity of processing temporal data sequentially and (ii) the prohibitive memory footprint of high-dimensional reservoirs. In this work, we revisit RC through the lens of structured operators and state space modeling to address these limitations, introducing Parallel Echo State Network (ParalESN). ParalESN enables the construction of high-dimensional and efficient reservoirs based on diagonal linear recurrence in the complex space, enabling parallel processing of temporal data. We provide a theoretical analysis demonstrating that ParalESN preserves the Echo State Property and the universality guarantees of traditional Echo State Networks while admitting an equivalent representation of arbitrary linear reservoirs in the complex diagonal form. Empirically, ParalESN matches the predictive accuracy of traditional RC on time series benchmarks, while delivering substantial computational savings. On 1-D pixel-level classification tasks, ParalESN achieves competitive accuracy with fully trainable neural networks while reducing computational costs and energy consumption by orders of magnitude. Overall, ParalESN offers a promising, scalable, and principled pathway for integrating RC within the deep learning landscape.

Optimization · Stochastic

Tianjin Huang, Zhangyang “Atlas” Wang, Haotian Hu, Zhenyu Zhang, Gaojie Jin, Xiang Li, Li Shen, Jiaxing Shang, Tianlong Chen, Ke Li 等

Training instability in modern deep learning systems is frequently triggered by rare but extreme gradient-norm spikes, which can induce oversized parameter updates, corrupt optimizer state, and lead to slow recovery or divergence. Widely used safeguards such as gradient clipping mitigate these failures but require threshold tuning and indiscriminately truncate large updates. We propose **GradientStabilizer**, a lightweight, drop-in gradient transform that *preserves the instantaneous gradient direction* while replacing the update magnitude with a statistically stabilized estimate derived from running gradient-norm statistics. We prove that the resulting stabilized magnitude is uniformly bounded on spike steps, independent of the spike size, and show how this boundedness controls optimizer state evolution in adaptive methods. Across LLM pre-training (FP16), quantization-aware pre-training (FP4), ImageNet classification, reinforcement learning, and time-series forecasting, **GradientStabilizer** consistently improves training stability, widens stable learning-rate regions, and reduces divergence relative to clipping-based baselines, even substantially reducing Adam’s sensitivity to weight-decay strength.

Deep Learning · Graph Neural Networks

Neelam Akula, Surbhi Kumar, Murat Kantarcioglu, Baris Coskunuzer

Many real-world graphs support multiple predictive tasks over the same underlying structure, creating an opportunity to reuse supervision across node classification (NC) and link prediction (LP). However, existing evaluations often rely on incompatible splits, observed-graph assumptions, and negative sampling rules, making conclusions about same-graph cross-task transfer unreliable. We formalize same-graph NC–LP transfer and propose a leakage-free protocol that fixes node and edge splits, uses a shared message-passing graph that excludes evaluated edges, and employs fixed negatives for LP. Across three backbones (GCN, GraphSAGE, GPS), we find transfer is strongly directional and predictable: NC$\to$LP is consistently beneficial on homophilic graphs, while LP$\to$NC is fragile and can even degrade accuracy under naive representation reuse. LP$\to$NC becomes reliably positive mainly in a structure-dominant regime where LP is easy but NC is unsaturated, suggesting LP acts as structural pretraining. Finally, we introduce CoTask Score (CTS) to summarize joint NC+LP utility when a shared encoder must serve both tasks, and show that simple dataset statistics, especially homophily, can guide mechanism choice and help avoid negative transfer.

Deep Learning · Everything Else

Akash Amalan, Georgios Smaragdakis, Tom Viering

Malware detection remains largely reactive: machine learning models trained on known samples degrade as threats evolve. Understanding evolutionary relationships among malware families can inform proactive defense, but traditional reverse engineering can take months to years to uncover such lineage relationships. We propose MalTree, a framework that applies bioinformatics-inspired phylogenetic techniques (UPGMA and Neighbor-Joining) at scale to model malware evolution automatically using structural, behavioral, and image-based features. We introduce temporal validation using VirusTotal timestamps to assess whether inferred trees reflect actual evolutionary order. MalTree achieves 87% temporal consistency, indicating that inferred evolutionary relationships closely align with real-world emergence timelines. Our analysis shows that some families mutate over 10 times faster than others, suggesting that detection strategies should be tailored to family-specific evolutionary tempos. Case studies, including the Mirai botnet, confirm that inferred relationships from our phylogenetic tree align with documented threat intelligence. Our framework provides a foundation for shifting malware analysis from sample-by-sample classification toward lineage-aware evolutionary modeling.

Deep Learning · Graph Neural Networks

Bisheng Tang, Xiaojun Chen

Federated Graph Learning (FGL) enables collaborative training across distributed clients without sharing raw graph data. However, its performance is severely hindered by graph-specific heterogeneity arising from divergent node feature distributions and disparate graph structures. Existing FGL methods primarily focus on aligning or personalizing node features but largely overlook the role of structural knowledge, leading to aggregation-induced representation drift during message passing. We observe that structural heterogeneity often originates from feature-driven connection biases shaped by local data collection practices or user preferences. To address this, we propose \textbf{Fed-Kalter}, a novel FGL framework that integrates Kalman filtering principles into graph neural networks. Fed-Kalter introduces Kalter-Conv, a graph convolution grounded in a Kalman framework with learnable dynamics, which treats structural embeddings as latent states and feature-augmented neighborhoods as noisy observations, thereby filtering feature-induced structural noise in a layer-wise manner. Only structural parameters are aggregated globally, enabling effective cross-client knowledge transfer while preserving local personalization. Extensive experiments on 16 graph classification datasets spanning 4 domains demonstrate that Fed-Kalter consistently outperforms state-of-the-art FGL methods. Further ablation and hyperparameter studies confirm its robustness, efficiency, and effectiveness in mitigating structural heterogeneity.

Deep Learning · Large Language Models

Felix Parker, Nimeesha Chan, Chi Zhang, Kimia Ghobadi

Time series data is fundamental to decision-making across many domains including healthcare, finance, power systems, and logistics. However, analyzing this data correctly often requires incorporating unstructured contextual information, answering domain-specific questions, and generating natural language explanations – capabilities that traditional time series models lack. While Large Language Models (LLMs) excel at contextual reasoning and knowledge integration, they struggle with numerical time series due to inefficient text-based representations and limited exposure to numerical data during pretraining. We address this gap by augmenting an LLM with specialized time series perception through a patch-based encoder-decoder architecture. We train this Time Series-augmented LLM (TsLLM) on a large corpus of over 20 billion tokens of interleaved time series and text spanning diverse tasks: forecasting with contextual information, question-answering, anomaly detection, classification, report generation, and more, all unified as next token prediction. This training enables TsLLM to leverage both its language understanding and newly acquired temporal reasoning capabilities. While not designed to surpass specialized models on traditional benchmarks, TsLLM demonstrates strong performance on tasks requiring the integration of time series analysis with natural language – capabilities that existing approaches cannot provide. It also exhibits strong zero-shot and few-shot performance, showing it can adapt to new data without additional training.