Authors: Feng Zhao, Kangzheng Liu, Teng Peng, Yu Yang, Guandong Xu
Abstract: Accurate representation of multimodal knowledge is crucial for event forecasting in real-world scenarios. However, existing studies have largely focused on static settings, overlooking the dynamic acquisition and fusion of multimodal knowledge. 1) At the knowledge acquisition level, how to learn time-sensitive information of different modalities, especially the dynamic structural modality. Existing dynamic learning methods are often limited to shallow structures across heterogeneous spaces or simple unispaces, making it difficult to capture deep relation-aware geometric features. 2) At the knowledge fusion level, how to learn evolving multimodal fusion features. Existing knowledge fusion methods based on static coattention struggle to capture the varying historical contributions of different modalities to future events. To this end, we propose DyMRL, a Dynamic Multispace Representation Learning approach to efficiently acquire and fuse multimodal temporal knowledge. 1) For the former issue, DyMRL integrates time-specific structural features from Euclidean, hyperbolic, and complex spaces into a relational message-passing framework to learn deep representations, reflecting human intelligences in associative thinking, high-order abstracting, and logical reasoning. Pretrained models endow DyMRL with time-sensitive visual and linguistic intelligences. 2) For the latter concern, DyMRL incorporates advanced dual fusion-evolution attention mechanisms that assign dynamic learning emphases equally to different modalities at different timestamps in a symmetric manner. To evaluate DyMRL's event forecasting performance through leveraging its learned multimodal temporal knowledge in history, we construct four multimodal temporal knowledge graph benchmarks. Extensive experiments demonstrate that DyMRL outperforms state-of-the-art dynamic unimodal and static multimodal baseline methods.
Authors: Michelangelo Domina, Joseph William Abbott, Paolo Pegolo, Filippo Bigi, Michele Ceriotti
Abstract: The requirement of generating predictions that exactly fulfill the fundamental symmetry of the corresponding physical quantities has profoundly shaped the development of machine-learning models for physical simulations. In many cases, models are built using constrained mathematical forms that ensure that symmetries are enforced exactly. However, unconstrained models that do not obey rotational symmetries are often found to have competitive performance, and to be able to \emph{learn} to a high level of accuracy an approximate equivariant behavior with a simple data augmentation strategy. In this paper, we introduce rigorous metrics to measure the symmetry content of the learned representations in such models, and assess the accuracy by which the outputs fulfill the equivariant condition. We apply these metrics to two unconstrained, transformer-based models operating on decorated point clouds (a graph neural network for atomistic simulations and a PointNet-style architecture for particle physics) to investigate how symmetry information is processed across architectural layers and is learned during training. Based on these insights, we establish a rigorous framework for diagnosing spectral failure modes in ML models. Enabled by this analysis, we demonstrate that one can achieve superior stability and accuracy by strategically injecting the minimum required inductive biases, preserving the high expressivity and scalability of unconstrained architectures while guaranteeing physical fidelity.
Authors: Marc-Antoine Allard, Arnaud Teinturier, Victor Xing, Gautier Viaud
Abstract: Recent advances in large language models (LLMs) have enabled the development of autonomous agents capable of complex reasoning and multi-step problem solving. However, these agents struggle to adapt to specialized environments and do not leverage past interactions, approaching each new task from scratch regardless of their accumulated experience. We introduce Experiential Reflective Learning (ERL), a simple self-improvement framework that enables rapid environment adaptation through experiential learning. ERL reflects on task trajectories and outcomes to generate heuristics, capturing actionable lessons that transfer across tasks. At test time, relevant heuristics are retrieved based on the current task and injected into the agent's context to guide execution. On the Gaia2 benchmark, ERL improves success rate by 7.8% over a ReAct baseline, with large gains in task completion reliability, and outperforms prior experiential learning methods. Through systematic ablations, we find that selective retrieval is essential and that heuristics provide more transferable abstractions than few-shot trajectory prompting. These results demonstrate that reflecting on single-attempt experiences to extract transferable heuristics enables effective agent self-improvement.
Authors: Lucas Gerken Starepravo, Georgios Fourtakas, Steven Lind, Ajay B. Harish, Tianning Tang, Jack R. C. King
Abstract: Mesh-free numerical methods provide flexible discretisations for complex geometries; however, classical meshless discrete differential operators typically trade low computational cost for limited accuracy or high accuracy for substantial per-stencil computation. We introduce a parametrised framework for learning mesh-free discrete differential operators using a graph neural network trained via polynomial moment constraints derived from truncated Taylor expansions. The model maps local stencils relative positions directly to discrete operator weights. The current work demonstrates that neural networks can learn classical polynomial consistency while retaining robustness to irregular neighbourhood geometry. The learned operators depend only on local geometry, are resolution-agnostic, and can be reused across particle configurations and governing equations. We evaluate the framework using standard numerical analysis diagnostics, showing improved accuracy over Smoothed Particle Hydrodynamics, and a favourable accuracy-cost trade-off relative to a representative high-order consistent mesh-free method in the moderate-accuracy regime. Applicability is demonstrated by solving the weakly compressible Navier-Stokes equations using the learned operators.
Authors: Debadutta Patra, Ayush Bardhan Tripathy, Soumya Ranjan Sahu, Sucheta Panda
Abstract: Digital twin technology, when combined with physics-informed machine learning with simulation results of Aspen, offers transformative capabilities for industrial process monitoring, control, and optimization. In this work, the proposed model presents a Physics-Informed Neural Network (PINN) digital twin framework for the dynamic, tray-wise modeling of binary distillation columns operating under transient conditions. The architecture of the proposed model embeds fundamental thermodynamic constraints, including vapor-liquid equilibrium (VLE) described by modified Raoult's law, tray-level mass and energy balances, and the McCabe-Thiele graphical methodology directly into the neural network loss function via physics residual terms. The model is trained and evaluated on a high-fidelity synthetic dataset of 961 timestamped measurements spanning 8 hours of transient operation, generated in Aspen HYSYS for a binary HX/TX distillation system comprising 16 sensor streams. An adaptive loss-weighting scheme balances the data fidelity and physics consistency objectives during training. Compared to five data-driven baselines (LSTM, vanilla MLP, GRU, Transformer, DeepONet), the proposed PINN achieves an RMSE of 0.00143 for HX mole fraction prediction (R^2 = 0.9887), representing a 44.6% reduction over the best data-only baseline, while strictly satisfying thermodynamic constraints. Tray-wise temperature and composition profiles predicted under transient perturbations demonstrate that the digital twin accurately captures column dynamics including feed tray responses, reflux ratio variations, and pressure transients. These results establish the proposed PINN digital twin as a robust foundation for real-time soft sensing, model-predictive control, and anomaly detection in industrial distillation processes.
Authors: Fabio Ferreira, Lucca Wobbe, Arjun Krishnakumar, Frank Hutter, Arber Zela
Abstract: The autoresearch repository enables an LLM agent to search for optimal hyperparameter configurations on an unconstrained search space by editing the training code directly. Given a fixed compute budget and constraints, we use \emph{autoresearch} as a testbed to compare classical hyperparameter optimization (HPO) algorithms against LLM-based methods on tuning the hyperparameters of a small language model. Within a fixed hyperparameter search space, classical HPO methods such as CMA-ES and TPE consistently outperform LLM-based agents. However, an LLM agent that directly edits training source code in an unconstrained search space narrows the gap to classical methods substantially despite using only a self-hosted open-weight 27B model. Methods that avoid out-of-memory failures outperform those with higher search diversity, suggesting that reliability matters more than exploration breadth. While small and mid-sized LLMs struggle to track optimization state across trials, classical methods lack domain knowledge. To bridge this gap, we introduce Centaur, a hybrid that shares CMA-ES's internal state, including mean vector, step-size, and covariance matrix, with an LLM. Centaur achieves the best result in our experiments, with its 0.8B variant outperforming the 27B variant, suggesting that a cheap LLM suffices when paired with a strong classical optimizer. The 0.8B model is insufficient for unconstrained code editing but sufficient for hybrid optimization, while scaling to 27B provides no advantage for fixed search space methods with the open-weight models tested. Code is available at https://github.com/ferreirafabio/autoresearch-automl.
Authors: Kenechi Omeke, Michael Mollel, Lei Zhang, Qammer H. Abbasi, Muhammad Ali Imran
Abstract: Anomaly detection is a core service in the Internet of Underwater Things, yet training accurate distributed models underwater is difficult because acoustic links are low-bandwidth, energy-intensive, and often unable to support direct sensor-to-surface communication. Standard flat federated learning therefore faces two coupled limitations in underwater deployments: expensive long-range transmissions and reduced participation when only a subset of sensors can reach the gateway. This paper proposes an energy-efficient hierarchical federated learning framework for underwater anomaly detection based on three components: feasibility-aware sensor-to-fog association, compressed model-update transmission, and selective cooperative aggregation among fog nodes. The proposed three-tier architecture localises most communication within short-range clusters while activating fog-to-fog exchange only when smaller clusters can benefit from nearby larger neighbours. A physics-grounded underwater acoustic model is used to evaluate detection quality, communication energy, and network participation jointly. In large synthetic deployments, only about 48% of sensors can directly reach the gateway in the 200-sensor case, whereas hierarchical learning preserves full participation through feasible fog paths. Selective cooperation matches the detection accuracy of always-on inter-fog exchange while reducing its energy by 31-33%, and compressed uploads reduce total energy by 71-95% in matched sensitivity tests. Experiments on three real benchmarks further show that low-overhead hierarchical methods remain competitive in detection quality, while flat federated learning defines the minimum-energy operating point. These results provide practical design guidance for underwater deployments operating under severe acoustic communication constraints.
Authors: Kaan Durmaz, Jan Schuchardt, Sebastian Schmidt, Stephan G\"unnemann
Abstract: Random cropping is one of the most common data augmentation techniques in computer vision, yet the role of its inherent randomness in training differentially private machine learning models has thus far gone unexplored. We observe that when sensitive content in an image is spatially localized, such as a face or license plate, random cropping can probabilistically exclude that content from the model's input. This introduces a third source of stochasticity in differentially private training with stochastic gradient descent, in addition to gradient noise and minibatch sampling. This additional randomness amplifies differential privacy without requiring changes to model architecture or training procedure. We formalize this effect by introducing a patch-level neighboring relation for vision data and deriving tight privacy bounds for differentially private stochastic gradient descent (DP-SGD) when combined with random cropping. Our analysis quantifies the patch inclusion probability and shows how it composes with minibatch sampling to yield a lower effective sampling rate. Empirically, we validate that patch-level amplification improves the privacy-utility trade-off across multiple segmentation architectures and datasets. Our results demonstrate that aligning privacy accounting with domain structure and additional existing sources of randomness can yield stronger guarantees at no additional cost.
Authors: Cheng Jiayang, Xin Liu, Zhihan Zhang, Haoyang Wen, Zixuan Zhang, Qingyu Yin, Shiyang Li, Priyanka Nigam, Bing Yin, Chao Zhang, Yangqiu Song
Abstract: Multi-step tool orchestration, where LLMs must invoke multiple dependent APIs in the correct order while propagating intermediate outputs, remains challenging. State-of-the-art models frequently fail on full sequence execution, with parameter value errors accounting for a significant portion of failures. Training models to handle such workflows faces two obstacles: existing environments focus on simple per-turn function calls with simulated data, and binary rewards provide no signal for partial correctness. We present a framework addressing both challenges. First, we construct a reinforcement learning environment backed by a large-scale cache of real API responses, enabling a data synthesis pipeline that samples valid multi-step orchestration traces with controllable complexity and significantly higher generation efficiency than unconstrained methods. Second, we propose a graduated reward design that decomposes correctness into atomic validity (individual function call correctness at increasing granularity) and orchestration (correct tool sequencing with dependency respect). On ComplexFuncBench, our approach demonstrates substantial improvements in turn accuracy. Ablation studies confirm both reward components are essential: using either alone significantly degrades performance.
Authors: Sounak Dutta, Fin Amin, Sushil Panda, Jonathan Rabe, Yuejiang Wen, Paul Franzon
Abstract: Analog design often slows down because even small changes to device sizes or biases require expensive simulation cycles, and high-quality solutions typically occupy only a narrow part of a very large search space. While existing optimizers reduce some of this burden, they largely operate without the kind of judgment designers use when deciding where to search next. This paper presents an actor-critic optimization framework (ACOF) for analog sizing that brings that form of guidance into the loop. Rather than treating optimization as a purely black-box search problem, ACOF separates the roles of proposal and evaluation: an actor suggests promising regions of the design space, while a critic reviews those choices, enforces design legality, and redirects the search when progress is hampered. This structure preserves compatibility with standard simulator-based flows while making the search process more deliberate, stable, and interpretable. Across our test circuits, ACOF improves the top-10 figure of merit by an average of 38.9% over the strongest competing baseline and reduces regret by an average of 24.7%, with peak gains of 70.5% in FoM and 42.2% lower regret on individual circuits. By combining iterative reasoning with simulation-driven search, the framework offers a more transparent path toward automated analog sizing across challenging design spaces.
Authors: Nathan Bailey
Abstract: Weather data, comprising multiple variables, poses significant challenges due to its high dimensionality and multimodal nature. Creating low-dimensional embeddings requires compressing this data into a compact, shared latent space. This compression is required to improve the efficiency and performance of downstream tasks, such as forecasting or extreme-weather detection. Self-supervised learning, particularly contrastive learning, offers a way to generate low-dimensional, robust embeddings from unlabelled data, enabling downstream tasks when labelled data is scarce. Despite initial exploration of contrastive learning in weather data, particularly with the ERA5 dataset, the current literature does not extensively examine its benefits relative to alternative compression methods, notably autoencoders. Moreover, current work on contrastive learning does not investigate how these models can incorporate sparse data, which is more common in real-world data collection. It is critical to explore and understand how contrastive learning contributes to creating more robust embeddings for sparse weather data, thereby improving performance on downstream tasks. Our work extensively explores contrastive learning on the ERA5 dataset, aligning sparse samples with complete ones via a contrastive loss term to create SPARse-data augmented conTRAstive spatiotemporal embeddings (SPARTA). We introduce a temporally aware batch sampling strategy and a cycle-consistency loss to improve the structure of the latent space. Furthermore, we propose a novel graph neural network fusion technique to inject domain-specific physical knowledge. Ultimately, our results demonstrate that contrastive learning is a feasible and advantageous compression method for sparse geoscience data, thereby enhancing performance in downstream tasks.
Authors: Yuda Bi, Chenyu Zhang, Qiheng Wang, Vince D Calhoun
Abstract: Grokking -- the delayed onset of generalization after early memorization -- is often described with phase-transition language, but that claim has lacked falsifiable finite-size inputs. Here we supply those inputs by treating the group order $p$ of $\mathbb{Z}_p$ as an admissible extensive variable and a held-out spectral head-tail contrast as a representation-level order parameter, then apply a condensed-matter-style diagnostic chain to coarse-grid sweeps and a dense near-critical addition audit. Binder-like crossings reveal a shared finite-size boundary, and susceptibility comparison strongly disfavors a smooth-crossover interpretation ($\Delta\mathrm{AIC}=16.8$ in the near-critical audit). Phase-transition language in grokking can therefore be tested as a quantitative finite-size claim rather than invoked as analogy alone, although the transition order remains unresolved at present.
Authors: Manglam Kartik, Neel Tushar Shah
Abstract: Standard vision models treat objects as independent points in Euclidean space, unable to capture hierarchical structure like parts within wholes. We introduce Worldline Slot Attention, which models objects as persistent trajectories through spacetime worldlines, where each object has multiple slots at different hierarchy levels sharing the same spatial position but differing in temporal coordinates. This architecture consistently fails without geometric structure: Euclidean worldlines achieve 0.078 level accuracy, below random chance (0.33), while Lorentzian worldlines achieve 0.479-0.661 across three datasets: a 6x improvement replicated over 20+ independent runs. Lorentzian geometry also outperforms hyperbolic embeddings showing visual hierarchies require causal structure (temporal dependency) rather than tree structure (radial branching). Our results demonstrate that hierarchical object discovery requires geometric structure encoding asymmetric causality, an inductive bias absent from Euclidean space but natural to Lorentzian light cones, achieved with only 11K parameters. The code is available at: https://github.com/iclrsubmissiongram/loco.
Authors: Jungtaek Kim, Thomas Zeng, Ziqian Lin, Minjae Lee, Chungpa Lee, Jy-yong Sohn, Hyung Il Koo, Kangwook Lee
Abstract: Effective problem solving with Large Language Models (LLMs) can be enhanced when they are paired with external search algorithms. By viewing the space of diverse ideas and their follow-up possibilities as a tree structure, the search algorithm can navigate such a search space and guide the LLM toward better solutions more efficiently. While the search algorithm enables an effective balance between exploitation and exploration of a tree-structured space, the need for an external component can complicate the overall problem-solving process. We therefore pose the following question: Can LLMs or their underlying Transformer architectures approximate a search algorithm? To answer this question, we first introduce a simplified framework in which tree extensions and feedback signals are externally specified, allowing for controlled evaluation of search capabilities. We call this setting unknown tree search with bandit feedback. Within this setting, we show that Transformers are theoretically expressive enough to implement distinct search strategies and can be trained from scratch to approximate those strategies. Our Transformer models exhibit the possibility of generalizing to unseen conditions such as longer horizons or deeper trees. Furthermore, we demonstrate that continued task-focused training unlocks the complete capabilities of a pretrained LLM, by fine-tuning the LLM on search trajectories.
Authors: Yaqi Guo, Fabian Braun, Bastiaan Ketelaar, Stephanie Tan, Richard Norte, Siddhant Kumar
Abstract: While backpropagation and automatic differentiation have driven deep learning's success, the physical limits of chip manufacturing and rising environmental costs of deep learning motivate alternative learning paradigms such as physical neural networks. However, most existing physical neural networks still rely on digital computing for training, largely because backpropagation and automatic differentiation are difficult to realize in physical systems. We introduce FFzero, a forward-only learning framework enabling stable neural network training without backpropagation or automatic differentiation. FFzero combines layer-wise local learning, prototype-based representations, and directional-derivative-based optimization through forward evaluations only. We show that local learning is effective under forward-only optimization, where backpropagation fails. FFzero generalizes to multilayer perceptron and convolutional neural networks across classification and regression. Using a simulated photonic neural network as an example, we demonstrate that FFzero provides a viable path toward backpropagation-free in-situ physical learning.
Authors: Yongda Fan, John Wu, Andrea Fitzpatrick, Naveen Baskaran, Jimeng Sun, Adam Cross
Abstract: Clinical decisions are high-stakes and require explicit justification, making model interpretability essential for auditing deep clinical models prior to deployment. As the ecosystem of model architectures and explainability methods expands, critical questions remain: Do architectural features like attention improve explainability? Do interpretability approaches generalize across clinical tasks? While prior benchmarking efforts exist, they often lack extensibility and reproducibility, and critically, fail to systematically examine how interpretability varies across the interplay of clinical tasks and model architectures. To address these gaps, we present a comprehensive benchmark evaluating interpretability methods across diverse clinical prediction tasks and model architectures. Our analysis reveals that: (1) attention when leveraged properly is a highly efficient approach for faithfully interpreting model predictions; (2) black-box interpreters like KernelSHAP and LIME are computationally infeasible for time-series clinical prediction tasks; and (3) several interpretability approaches are too unreliable to be trustworthy. From our findings, we discuss several guidelines on improving interpretability within clinical predictive pipelines. To support reproducibility and extensibility, we provide our implementations via PyHealth, a well-documented open-source framework: https://github.com/sunlabuiuc/PyHealth.
Authors: Francesco Ruscelli
Abstract: We propose a general framework to extend Flow Matching to homogeneous spaces, i.e. quotients of Lie groups. Our approach reformulates the problem as a flow matching task on the underlying Lie group by lifting the data distributions. This strategy avoids the potentially complicated geometry of homogeneous spaces by working directly on Lie groups, which in turn enables us reduce the problem to a Euclidean flow matching task on Lie algebras. In contrast to Riemannian Flow Matching, our method eliminates the need to define and compute premetrics or geodesics, resulting in a simpler, faster, and fully intrinsic framework.
Authors: Isha Puri, Mehul Damani, Idan Shenfeld, Marzyeh Ghassemi, Jacob Andreas, Yoon Kim
Abstract: Given a question, a language model (LM) implicitly encodes a distribution over possible answers. In practice, post-training procedures for LMs often collapse this distribution onto a single dominant mode. While this is generally not a problem for benchmark-style evaluations that assume one correct answer, many real-world tasks inherently involve multiple valid answers or irreducible uncertainty. Examples include medical diagnosis, ambiguous question answering, and settings with incomplete information. In these cases, we would like LMs to generate multiple plausible hypotheses, ideally with confidence estimates for each one, and without computationally intensive repeated sampling to generate non-modal answers. This paper describes a multi-answer reinforcement learning approach for training LMs to perform distributional reasoning over multiple answers during inference. We modify the RL objective to enable models to explicitly generate multiple candidate answers in a single forward pass, internalizing aspects of inference-time search into the model's generative process. Across question-answering, medical diagnostic, and coding benchmarks, we observe improved diversity, coverage, and set-level calibration scores compared to single answer trained baselines. Models trained with our approach require fewer tokens to generate multiple answers than competing approaches. On coding tasks, they are also substantially more accurate. These results position multi-answer RL as a principled and compute-efficient alternative to inference-time scaling procedures such as best-of-k. Code and more information can be found at https://multi-answer-rl.github.io/.
Authors: Kalle Kujanp\"a\"a, Yuying Zhu, Kristina Klinkner, Shervin Malmasi
Abstract: We investigate machine learning approaches for optimizing real-time staffing decisions in semi-automated warehouse sortation systems. Operational decision-making can be supported at different levels of abstraction, with different trade-offs. We evaluate two approaches, each in a matching simulation environment. First, we train custom Transformer-based policies using offline reinforcement learning on detailed historical state representations, achieving a 2.4% throughput improvement over historical baselines in learned simulators. In high-volume warehouse operations, improvements of this size translate to significant savings. Second, we explore LLMs operating on abstracted, human-readable state descriptions. These are a natural fit for decisions that warehouse managers make using high-level operational summaries. We systematically compare prompting techniques, automatic prompt optimization, and fine-tuning strategies. While prompting alone proves insufficient, supervised fine-tuning combined with Direct Preference Optimization on simulator-generated preferences achieves performance that matches or slightly exceeds historical baselines in a hand-crafted simulator. Our findings demonstrate that both approaches offer viable paths toward AI-assisted operational decision-making. Offline RL excels with task-specific architectures. LLMs support human-readable inputs and can be combined with an iterative feedback loop that can incorporate manager preferences.
Authors: Yassien Shaalan
Abstract: Deploying neural networks on microcontrollers is constrained by kilobytes of flash and SRAM, where 1x1 pointwise (PW) mixers often dominate memory even after INT8 quantization across vision, audio, and wearable sensing. We present HYPER-TINYPW, a compression-as-generation approach that replaces most stored PW weights with generated weights: a shared micro-MLP synthesizes PW kernels once at load time from tiny per-layer codes, caches them, and executes them with standard integer operators. This preserves commodity MCU runtimes and adds only a one-off synthesis cost; steady-state latency and energy match INT8 separable CNN baselines. Enforcing a shared latent basis across layers removes cross-layer redundancy, while keeping PW1 in INT8 stabilizes early, morphology-sensitive mixing. We contribute (i) TinyML-faithful packed-byte accounting covering generator, heads/factorization, codes, kept PW1, and backbone; (ii) a unified evaluation with validation-tuned t* and bootstrap confidence intervals; and (iii) a deployability analysis covering integer-only inference and boot versus lazy synthesis. On three ECG benchmarks (Apnea-ECG, PTB-XL, MIT-BIH), HYPER-TINYPW shifts the macro-F1 versus flash Pareto frontier: at about 225 kB it matches a roughly 1.4 MB CNN while being 6.31x smaller (84.15% fewer bytes), retaining at least 95% of large-model macro-F1. Under 32-64 kB budgets it sustains balanced detection where compact baselines degrade. The mechanism applies broadly to other 1D biosignals, on-device speech, and embedded sensing tasks where per-layer redundancy dominates, indicating a wider role for compression-as-generation in resource-constrained ML systems. Beyond ECG, HYPER-TINYPW transfers to TinyML audio: on Speech Commands it reaches 96.2% test accuracy (98.2% best validation), supporting broader applicability to embedded sensing workloads where repeated linear mixers dominate memory.
Authors: Ruizhong Miao, Yuying Wang, Rongguang Wang, Chenyang Li, Tao Sheng, Sujith Ravi, Dan Roth
Abstract: Semantic search in retrieval-augmented generation (RAG) systems is often insufficient for complex information needs, particularly when relevant evidence is scattered across multiple sources. Prior approaches to this problem include agentic retrieval strategies, which expand the semantic search space by generating additional queries. However, these methods do not fully leverage the organizational structure of the data and instead rely on iterative exploration, which can lead to inefficient retrieval. Another class of approaches employs knowledge graphs to model non-semantic relationships through graph edges. Although effective in capturing richer proximities, such methods incur significant maintenance costs and are often incompatible with the vector stores used in most production systems. To address these limitations, we propose GraphER, a graph-based enrichment and reranking method that captures multiple forms of proximity beyond semantic similarity. GraphER independently enriches data objects during offline indexing and performs graph-based reranking over candidate objects at query time. This design does not require a knowledge graph, allowing GraphER to integrate seamlessly with standard vector stores. In addition, GraphER is retriever-agnostic and introduces negligible latency overhead. Experiments on multiple retrieval benchmarks demonstrate the effectiveness of the proposed approach.
Authors: Sungho Moon, Seunghun Lee, Jiwan Seo, Sunghoon Im
Abstract: We propose Context-aware Video-text Alignment (CVA), a novel framework to address a significant challenge in video temporal grounding: achieving temporally sensitive video-text alignment that remains robust to irrelevant background context. Our framework is built on three key components. First, we propose Query-aware Context Diversification (QCD), a new data augmentation strategy that ensures only semantically unrelated content is mixed in. It builds a video-text similarity-based pool of replacement clips to simulate diverse contexts while preventing the ``false negative" caused by query-agnostic mixing. Second, we introduce the Context-invariant Boundary Discrimination (CBD) loss, a contrastive loss that enforces semantic consistency at challenging temporal boundaries, making their representations robust to contextual shifts and hard negatives. Third, we introduce the Context-enhanced Transformer Encoder (CTE), a hierarchical architecture that combines windowed self-attention and bidirectional cross-attention with learnable queries to capture multi-scale temporal context. Through the synergy of these data-centric and architectural enhancements, CVA achieves state-of-the-art performance on major VTG benchmarks, including QVHighlights and Charades-STA. Notably, our method achieves a significant improvement of approximately 5 points in Recall@1 (R1) scores over state-of-the-art methods, highlighting its effectiveness in mitigating false negatives.
Authors: Shalima Binta Manir, Anamika Paul Rupa
Abstract: Grokking the delayed transition from memorization to generalization in neural networks remains poorly understood, in part because prior empirical studies confound the roles of architecture, optimization, and regularization. We present a controlled study that systematically disentangles these factors on modular addition (mod 97), with matched and carefully tuned training regimes across models. Our central finding is that grokking dynamics are not primarily determined by architecture, but by interactions between optimization stability and regularization. Specifically, we show: (1) \textbf{depth has a non-monotonic effect}, with depth-4 MLPs consistently failing to grok while depth-8 residual networks recover generalization, demonstrating that depth requires architectural stabilization; (2) \textbf{the apparent gap between Transformers and MLPs largely disappears} (1.11$\times$ delay) under matched hyperparameters, indicating that previously reported differences are largely due to optimizer and regularization confounds; (3) \textbf{activation function effects are regime-dependent}, with GELU up to 4.3$\times$ faster than ReLU only when regularization permits memorization; and (4) \textbf{weight decay is the dominant control parameter}, exhibiting a narrow ``Goldilocks'' regime in which grokking occurs, while too little or too much prevents generalization. Across 3--5 seeds per configuration, these results provide a unified empirical account of grokking as an interaction-driven phenomenon. Our findings challenge architecture-centric interpretations and clarify how optimization and regularization jointly govern delayed generalization.
Authors: Haishan Ye
Abstract: We consider the problem of Online Convex Optimization (OCO) with two-point bandit feedback in an adversarial environment. In this setting, a player attempts to minimize a sequence of adversarially generated convex loss functions, while only observing the value of each function at two points. While it is well-known that two-point feedback allows for gradient estimation, achieving tight high-probability regret bounds for strongly convex functions still remained open as highlighted by \citet{agarwal2010optimal}. The primary challenge lies in the heavy-tailed nature of bandit gradient estimators, which makes standard concentration analysis difficult. In this paper, we resolve this open challenge by providing the first high-probability regret bound of $O(d(\log T + \log(1/\delta))/\mu)$ for $\mu$-strongly convex losses. Our result is minimax optimal with respect to both the time horizon $T$ and the dimension $d$.
Authors: Steffen Lukas
Abstract: Foundation models excel in stable environments, yet often fail where reliability matters most: medicine, finance, and policy. This Fidelity Paradox is not just a data problem; it is structural. In domains where rules change over time, extra model capacity amplifies noise rather than capturing signal. We introduce Epistemic Compression: the principle that robustness emerges from matching model complexity to the shelf life of the data, not from scaling parameters. Unlike classical regularization, which penalizes weights post hoc, Epistemic Compression enforces parsimony through architecture: the model structure itself is designed to reduce overfitting by making it architecturally costly to represent variance that exceeds the evidence in the data. We operationalize this with a Regime Index that separates Shifting Regime (unstable, data-poor; simplicity wins) from Stable Regime (invariant, data-rich; complexity viable). In an exploratory synthesis of 15 high-stakes domains, this index was concordant with the empirically superior modeling strategy in 86.7% of cases (13/15). High-stakes AI demands a shift from scaling for its own sake to principled parsimony.
Authors: Yicheng Zou, Dongsheng Zhu, Lin Zhu, Tong Zhu, Yunhua Zhou, Peiheng Zhou, Xinyu Zhou, Dongzhan Zhou, Zhiwang Zhou, Yuhao Zhou, Bowen Zhou, Zhanping Zhong, Zhijie Zhong, Haiteng Zhao, Penghao Zhao, Xiaomeng Zhao, Zhiyuan Zhao, Yechen Zhang, Jin Zhang, Wenwei Zhang, Hongjie Zhang, Zhuo Zhang, Wenlong Zhang, Bo Zhang, Chao Zhang, Chen Zhang, Yuhang Zang, Fei Yuan, Jiakang Yuan, Jiashuo Yu, Jinhui Yin, Haochen Ye, Qian Yao, Bowen Yang, Danni Yang, Kaichen Yang, Ziang Yan, Jun Xu, Yicheng Xu, Wanghan Xu, Xuenan Xu, Chao Xu, Ruiliang Xu, Shuhao Xing, Long Xing, Xinchen Xie, Ling-I Wu, Zijian Wu, Zhenyu Wu, Lijun Wu, Yue Wu, Jianyu Wu, Wen Wu, Fan Wu, Xilin Wei, Qi Wei, Bingli Wang, Rui Wang, Ziyi Wang, Zun Wang, Yi Wang, Haomin Wang, Yizhou Wang, Lintao Wang, Yiheng Wang, Longjiang Wang, Bin Wang, Jian Tong, Zhongbo Tian, Huanze Tang, Chen Tang, Shixiang Tang, Yu Sun, Qiushi Sun, Xuerui Su, Qisheng Su, Chenlin Su, Demin Song, Jin Shi, Fukai Shang, Yuchen Ren, Pengli Ren, Xiaoye Qu, Yuan Qu, Jiantao Qiu, Yu Qiao, Runyu Peng, Tianshuo Peng, Jiahui Peng, Qizhi Pei, Zhuoshi Pan, Linke Ouyang, Wenchang Ning, Yichuan Ma, Zerun Ma, Ningsheng Ma, Runyuan Ma, Chengqi Lyu, Haijun Lv, Han Lv, Lindong Lu, Kuikun Liu, Jiangning Liu, Yuhong Liu, Kai Liu, Hongwei Liu, Zhoumianze Liu, Mengjie Liu, Ziyu Liu, Wenran Liu, Yang Liu, Liwei Liu, Kaiwen Liu, Junyao Lin, Junming Lin, Tianyang Lin, Dahua Lin, Jianze Liang, Linyang Li, Peiji Li, Zonglin Li, Zehao Li, Pengze Li, Guoyan Li, Lingkai Kong, Linglin Jing, Zhenjiang Jin, Feifei Jiang, Qian Jiang, Junhao Huang, Zixian Huang, Haian Huang, Zhouqi Hua, Han Hu, Linfeng Hou, Yinan He, Conghui He, Tianyao He, Xu Guo, Qipeng Guo, Aijia Guo, Yuzhe Gu, Lixin Gu, Jingyang Gong, Qiming Ge, Jiaye Ge, Songyang Gao, Jianfei Gao, Xinyu Fang, Caihua fan, Yue Fan, Yanhui Duan, Zichen Ding, Shengyuan Ding, Xuanlang Dai, Erfei Cui, Ganqu Cui, Pei Chu, Tao Chu, Guangran Cheng, Yu Cheng, Kai Chen, Yongkang Chen, Chiyu Chen, Guanzhou Chen, Qiaosheng Chen, Sitao Chen, Xin Chen, Haojiong Chen, Yicheng Chen, Weihan Cao, Yuhang Cao, Qinglong Cao, Lei Bai
Abstract: We introduce Intern-S1-Pro, the first one-trillion-parameter scientific multimodal foundation model. Scaling to this unprecedented size, the model delivers a comprehensive enhancement across both general and scientific domains. Beyond stronger reasoning and image-text understanding capabilities, its intelligence is augmented with advanced agent capabilities. Simultaneously, its scientific expertise has been vastly expanded to master over 100 specialized tasks across critical science fields, including chemistry, materials, life sciences, and earth sciences. Achieving this massive scale is made possible by the robust infrastructure support of XTuner and LMDeploy, which facilitates highly efficient Reinforcement Learning (RL) training at the 1-trillion parameter level while ensuring strict precision consistency between training and inference. By seamlessly integrating these advancements, Intern-S1-Pro further fortifies the fusion of general and specialized intelligence, working as a Specializable Generalist, demonstrating its position in the top tier of open-source models for general capabilities, while outperforming proprietary models in the depth of specialized scientific tasks.
Authors: Jordan LeDoux
Abstract: In a controlled experiment on modular arithmetic ($p = 9973$), varying only example ordering while holding all else constant, two fixed-ordering strategies achieve 99.5\% test accuracy by epochs 487 and 659 respectively from a training set comprising 0.3\% of the input space, well below established sample complexity lower bounds for this task under IID ordering. The IID baseline achieves 0.30\% after 5{,}000 epochs from identical data. An adversarially structured ordering suppresses learning entirely. The generalizing model reliably constructs a Fourier representation whose fundamental frequency is the Fourier dual of the ordering structure, encoding information present in no individual training example, with the same fundamental emerging across all seeds tested regardless of initialization or training set composition. We discuss implications for training efficiency, the reinterpretation of grokking, and the safety risks of a channel that evades all content-level auditing.
Authors: Xinyu Wang, Fei Dou, Jinbo Bi, Minghu Song
Abstract: Linearized string representations serve as the foundation of scalable autoregressive molecular generation; however, they introduce a fundamental modality mismatch where a single molecular graph maps to multiple distinct sequences. This ambiguity leads to \textit{trajectory divergence}, where the latent representations of structurally equivalent partial graphs drift apart due to differences in linearization history. To resolve this without abandoning the efficient string formulation, we propose Structure-Invariant Generative Molecular Alignment (SIGMA). Rather than altering the linear representation, SIGMA enables the model to strictly recognize geometric symmetries via a token-level contrastive objective, which explicitly aligns the latent states of prefixes that share identical suffixes. Furthermore, we introduce Isomorphic Beam Search (IsoBeam) to eliminate isomorphic redundancy during inference by dynamically pruning equivalent paths. Empirical evaluations on standard benchmarks demonstrate that SIGMA bridges the gap between sequence scalability and graph fidelity, yielding superior sample efficiency and structural diversity in multi-parameter optimization compared to strong baselines.
Authors: Syed Rayhan Masud, SK Muktadir Hossain, Md. Ridoy Sarkar, Mohammad Sakib Mahmood, Md. Kishor Morol, Rakib Hossain Sajib
Abstract: Agriculture is increasingly challenged by climate change, soil degradation, and resource depletion, and hence requires advanced data-driven crop classification and recommendation solutions. This work presents an explainable ensemble learning paradigm that fuses optimized feature pyramids, deep networks, self-attention mechanisms, and residual networks for bolstering crop suitability predictions based on soil characteristics (e.g., pH, nitrogen, potassium) and climatic conditions (e.g., temperature, rainfall). With a dataset comprising 3,867 instances and 29 features from the Ethiopian Agricultural Transformation Agency and NASA, the paradigm leverages preprocessing methods such as label encoding, outlier removal using IQR, normalization through StandardScaler, and SMOTE for balancing classes. A range of machine learning models such as Logistic Regression, K-Nearest Neighbors, Support Vector Machines, Decision Trees, Random Forest, Gradient Boosting, and a new Relative Error Support Vector Machine are compared, with hyperparameter tuning through Grid Search and cross-validation. The suggested "Final Ensemble" meta-ensemble design outperforms with 98.80% accuracy, precision, recall, and F1-score, compared to individual models such as K-Nearest Neighbors (95.56% accuracy). Explainable AI methods, such as SHAP and permutation importance, offer actionable insights, highlighting critical features such as soil pH, nitrogen, and zinc. The paradigm addresses the gap between intricate ML models and actionable agricultural decision-making, fostering sustainability and trust in AI-powered recommendations
Authors: Mohammad A. Farmani, Hoshin V. Gupta, Ali Behrangi, Muhammad Jawad, Sadaf Moghisi, Guo-Yue Niu
Abstract: Machine learning models can achieve high predictive accuracy in hydrological applications but often lack physical interpretability. The Mass-Conserving Perceptron (MCP) provides a physics-aware artificial intelligence (AI) framework that enforces conservation principles while allowing hydrological process relationships to be learned from data. In this study, we investigate how progressively embedding physically meaningful representations of hydrological processes within a single MCP storage unit improves predictive skill and interpretability in rainfall-runoff modeling. Starting from a minimal MCP formulation, we sequentially introduce bounded soil storage, state-dependent conductivity, variable porosity, infiltration capacity, surface ponding, vertical drainage, and nonlinear water-table dynamics. The resulting hierarchy of process-aware MCP models is evaluated across 15 catchments spanning five hydroclimatic regions of the continental United States using daily streamflow prediction as the target. Results show that progressively augmenting the internal physical structure of the MCP unit generally improves predictive performance. The influence of these process representations is strongly hydroclimate dependent: vertical drainage substantially improves model skill in arid and snow-dominated basins but reduces performance in rainfall-dominated regions, while surface ponding has comparatively small effects. The best-performing MCP configurations approach the predictive skill of a Long Short-Term Memory benchmark while maintaining explicit physical interpretability. These results demonstrate that embedding hydrological process constraints within AI architectures provides a promising pathway toward interpretable and process-aware rainfall-runoff modeling.
Authors: Diyar Altinses, Andreas Schwung
Abstract: Modern multimodal systems deployed in industrial and safety-critical environments must remain reliable under partial sensor failures, signal degradation, or cross-modal inconsistencies. This work introduces a mathematically grounded framework for fault-tolerant multimodal representation learning that unifies self-supervised anomaly detection and error correction within a single architecture. Building upon a theoretical analysis of perturbation propagation, we derive Lipschitz- and Jacobian-based criteria that determine whether a neural operator amplifies or attenuates localized faults. Guided by this theory, we propose a two-stage self-supervised training scheme: pre-training a multimodal convolutional autoencoder on clean data to preserve localized anomaly signals in the latent space, and expanding it with a learnable compute block composed of dense layers for correction and contrastive objectives for anomaly identification. Furthermore, we introduce layer-specific Lipschitz modulation and gradient clipping as principled mechanisms to control sensitivity across detection and correction modules. Experimental results on multimodal fault datasets demonstrate that the proposed approach improves both anomaly detection accuracy and reconstruction under sensor corruption. Overall, this framework bridges the gap between analytical robustness guarantees and practical fault-tolerant multimodal learning.
Authors: Debangshu Banerjee, Changming Xu, Gagandeep Singh
Abstract: Recent advances have shown the effectiveness of self-evolving LLM agents on tasks such as program repair and scientific discovery. In this paradigm, a planner LLM synthesizes an agent program that invokes parametric models, including LLMs, which are then tuned per task to improve performance. However, existing self-evolving agent frameworks provide no formal guarantees of safety or correctness. Because such programs are often executed autonomously on unseen inputs, this lack of guarantees raises reliability and security concerns. We formulate agentic code generation as a constrained learning problem, combining hard formal specifications with soft objectives capturing task utility. We introduce Formally Guarded Generative Models (FGGM), which allow the planner LLM to specify a formal output contract for each generative model call using first-order logic. Each FGGM call wraps the underlying model in a rejection sampler with a verified fallback, ensuring every returned output satisfies the contract for any input and parameter setting. Building on FGGM, we present SEVerA (Self-Evolving Verified Agents), a three-stage framework: Search synthesizes candidate parametric programs containing FGGM calls; Verification proves correctness with respect to hard constraints for all parameter values, reducing the problem to unconstrained learning; and Learning applies scalable gradient-based optimization, including GRPO-style fine-tuning, to improve the soft objective while preserving correctness. We evaluate SEVerA on Dafny program verification, symbolic math synthesis, and policy-compliant agentic tool use ($\tau^2$-bench). Across tasks, SEVerA achieves zero constraint violations while improving performance over unconstrained and SOTA baselines, showing that formal behavioral constraints not only guarantee correctness but also steer synthesis toward higher-quality agents.
Authors: Jianfeng Wang, Amine M'Charrak, Luk Koska, Xiangtao Wang, Daniel Petriceanu, Mykyta Smyrnov, Ruizhi Wang, Michael Bumbar, Luca Pinchetti, Thomas Lukasiewicz
Abstract: Recent vision and multimodal foundation backbones, such as Transformer families and state-space models like Mamba, have achieved remarkable progress, enabling unified modeling across images, text, and beyond. Despite their empirical success, these architectures remain far from the computational principles of the human brain, often demanding enormous amounts of training data while offering limited interpretability. In this work, we propose the Vision Hopfield Memory Network (V-HMN), a brain-inspired foundation backbone that integrates hierarchical memory mechanisms with iterative refinement updates. Specifically, V-HMN incorporates local Hopfield modules that provide associative memory dynamics at the image patch level, global Hopfield modules that function as episodic memory for contextual modulation, and a predictive-coding-inspired refinement rule for iterative error correction. By organizing these memory-based modules hierarchically, V-HMN captures both local and global dynamics in a unified framework. Memory retrieval exposes the relationship between inputs and stored patterns, making decisions more interpretable, while the reuse of stored patterns improves data efficiency. This brain-inspired design therefore enhances interpretability and data efficiency beyond existing self-attention- or state-space-based approaches. We conducted extensive experiments on public computer vision benchmarks, and V-HMN achieved competitive results against widely adopted backbone architectures, while offering better interpretability, higher data efficiency, and stronger biological plausibility. These findings highlight the potential of V-HMN to serve as a next-generation vision foundation model, while also providing a generalizable blueprint for multimodal backbones in domains such as text and audio, thereby bridging brain-inspired computation with large-scale machine learning.
Authors: Jiahao Wu, Ning Lu, Shengcai Liu, Kun Wang, Yanting Yang, Li Qing, Ke Tang
Abstract: Reinforcement learning (RL) has become essential for post-training large language models (LLMs) in reasoning tasks. While scaling rollouts can stabilize training and enhance performance, the computational overhead is a critical issue. In algorithms like GRPO, multiple rollouts per prompt incur prohibitive costs, as a large portion of prompts provide negligible gradients and are thus of low utility. To address this problem, we investigate how to select high-utility prompts before the rollout phase. Our experimental analysis reveals that sample utility is non-uniform and evolving: the strongest learning signals concentrate at the ``learning edge", the intersection of intermediate difficulty and high uncertainty, which shifts as training proceeds. Motivated by this, we propose HIVE (History-Informed and online-VErified prompt selection), a dual-stage framework for data-efficient RL. HIVE utilizes historical reward trajectories for coarse selection and employs prompt entropy as a real-time proxy to prune instances with stale utility. By evaluating HIVE across multiple math reasoning benchmarks and models, we show that HIVE yields significant rollout efficiency without compromising performance.
Authors: Adam Jakobsen, Sushant Gautam, Hugo Lewi Hammer, Susanne Olofsdotter, Miriam S Johanson, P{\aa}l Halvorsen, Vajira Thambawita
Abstract: AI systems in healthcare research have shown potential to increase patient throughput and assist clinicians, yet progress is constrained by limited access to real patient data. To address this issue, we present a zero-shot, knowledge-guided framework for psychiatric tabular data in which large language models (LLMs) are steered via Retrieval-Augmented Generation using the Diagnostic and Statistical Manual of Mental Disorders (DSM-5) and the International Classification of Diseases (ICD-10). We conducted experiments using different combinations of knowledge bases to generate privacy-preserving synthetic data. The resulting models were benchmarked against two state-of-the-art deep learning models for synthetic tabular data generation, namely CTGAN and TVAE, both of which rely on real data and therefore entail potential privacy risks. Evaluation was performed on six anxiety-related disorders: specific phobia, social anxiety disorder, agoraphobia, generalized anxiety disorder, separation anxiety disorder, and panic disorder. CTGAN typically achieves the best marginals and multivariate structure, while the knowledge-augmented LLM is competitive on pairwise structure and attains the lowest pairwise error in separation anxiety and social anxiety. An ablation study shows that clinical retrieval reliably improves univariate and pairwise fidelity over a no-retrieval LLM. Privacy analyses indicate that the real data-free LLM yields modest overlaps and a low average linkage risk comparable to CTGAN, whereas TVAE exhibits extensive duplication despite a low k-map score. Overall, grounding an LLM in clinical knowledge enables high-quality, privacy-preserving synthetic psychiatric data when real datasets are unavailable or cannot be shared.
Authors: Chenglong Song, Mazharul Islam, Lin Wang, Bing Chen, Bo Yang
Abstract: Conditional density estimation (CDE) is a fundamental task in machine learning that aims to model the full conditional law $\mathbb{P}(\mathbf{y} \mid \mathbf{x})$, beyond mere point prediction (e.g., mean, mode). A core challenge is free-form density estimation, capturing distributions that exhibit multimodality, asymmetry, or topological complexity without restrictive assumptions. However, prevailing methods typically estimate the probability density function (PDF) directly, which is mathematically ill-posed: differentiating the empirical distribution amplifies random fluctuations inherent in finite datasets, necessitating strong inductive biases that limit expressivity and fail when violated. We propose a CDF-first framework that circumvents this issue by estimating the cumulative distribution function (CDF), a stable and well-posed target, and then recovering the PDF via differentiation of the learned smooth CDF. Parameterizing the CDF with a Smooth Min-Max (SMM) network, our framework guarantees valid PDFs by construction, enables tractable approximate likelihood training, and preserves complex distributional shapes. For multivariate outputs, we use an autoregressive decomposition with SMM factors. Experiments demonstrate our approach outperforms state-of-the-art density estimators on a range of univariate and multivariate tasks.
Authors: Tan-Hau Nguyen, Thu-Le Tran, Kien Trung Nguyen
Abstract: Robust Support Vector Machines (R-SVMs) address feature noise by adopting a worst-case robust formulation that explicitly incorporates uncertainty sets into training. While this robustness improves reliability, it also leads to increased computational cost. In this work, we develop safe sample screening rules for R-SVMs that reduce the training complexity without affecting the optimal solution. To the best of our knowledge, this is the first study to apply safe screening techniques to worst-case robust models in supervised machine learning. Our approach safely identifies training samples whose uncertainty sets are guaranteed to lie entirely on either side of the margin hyperplane, thereby reducing the problem size and accelerating optimization. Owing to the nonstandard structure of R-SVMs, the proposed screening rules are derived from the Lagrangian duality rather than the Fenchel-Rockafellar duality commonly used in recent methods. Based on this analysis, we first establish an ideal screening rule, and then derive a practical rule by adapting GAP-based safe regions to the robust setting. Experiments demonstrate that the proposed method significantly reduces training time while preserving classification accuracy.
Authors: Hironori Ohigashi, Shinichiro Hamada
Abstract: Combinatorial optimization problems like the Traveling Salesman Problem are critical in industry yet NP-hard. Neural Combinatorial Optimization has shown promise, but its reliance on online reinforcement learning (RL) hampers deployment and underutilizes decades of algorithmic knowledge. We address these limitations by applying the offline RL framework, Decision Transformer, to learn superior strategies directly from datasets of heuristic solutions; it aims to not only to imitate but to synthesize and outperform them. Concretely, we (i) integrate a Pointer Network to handle the instance-dependent, variable action space of node selection, and (ii) employ expectile regression for optimistic conditioning of Return-to-Go, which is crucial for instances with widely varying optimal values. Experiments show that our method consistently produces higher-quality tours than the four classical heuristics it is trained on, demonstrating the potential of offline RL to unlock and exceed the performance embedded in existing domain knowledge.
Authors: Hector Borobia, Elies Segu\'i-Mas, Guillermina Tormo-Carb\'o
Abstract: Weight pruning is a standard technique for compressing large language models, yet its effect on learned internal representations remains poorly understood. We present the first systematic study of how unstructured pruning reshapes the feature geometry of language models, using Sparse Autoencoders (SAEs) as interpretability probes. Across three model families (Gemma 3 1B, Gemma 2 2B, Llama 3.2 1B), two pruning methods (magnitude and Wanda), and six sparsity levels (0--60%), we investigate five research questions spanning seed stability, feature survival, SAE transferability, feature fragility, and causal relevance. Our most striking finding is that rare SAE features--those with low firing rates--survive pruning far better than frequent ones, with within-condition Spearman correlations of rho = -1.0 in 11 of 17 experimental conditions. This counter-intuitive result suggests that pruning acts as implicit feature selection, preferentially destroying high-frequency generic features while preserving specialized rare ones. We further show that Wanda pruning preserves feature structure up to 3.7x better than magnitude pruning, that pre-trained SAEs remain viable on Wanda-pruned models up to 50% sparsity, and that geometric feature survival does not predict causal importance--a dissociation with implications for interpretability under compression.
Authors: Shuoling Liu, Zhiquan Tan, Kun Yi, Hui Wu, Yihan Li, Jiangpeng Yan, Liyuan Chen, Kai Chen, Qiang Yang
Abstract: Although deep research agents (DRAs) have emerged as a promising paradigm for complex information synthesis, their evaluation remains constrained by ad hoc empirical benchmarks. These heuristic approaches do not rigorously model agent behavior or adequately stress-test long-horizon synthesis and ambiguity resolution. To bridge this gap, we formalize DRA behavior through the lens of category theory, modeling deep research workflow as a composition of structure-preserving maps (functors). Grounded in this theoretical framework, we introduce a novel mechanism-aware benchmark with 296 questions designed to stress-test agents along four interpretable axes: traversing sequential connectivity chains, verifying intersections within V-structure pullbacks, imposing topological ordering on retrieved substructures, and performing ontological falsification via the Yoneda Probe. Our rigorous evaluation of 11 leading models establishes a persistently low baseline, with the state-of-the-art achieving only a 19.9\% average accuracy, exposing the difficulty of formal structural stress-testing. Furthermore, our findings reveal a stark dichotomy in the current AI capabilities. While advanced deep research pipelines successfully redefine dynamic topological re-ordering and exhibit robust ontological verification -- matching pure reasoning models in falsifying hallucinated premises -- they almost universally collapse on multi-hop structural synthesis. Crucially, massive performance variance across tasks exposes a lingering reliance on brittle heuristics rather than a systemic understanding. Ultimately, this work demonstrates that while top-tier autonomous agents can now organically unify search and reasoning, achieving a generalized mastery over complex structural information remains a formidable open challenge.\footnote{Our implementation will be available at https://github.com/tzq1999/CDR.
Authors: Bangchen Yin, Jian Ouyang, Zhen Fan, Kailai Lin, Hanshi Hu, Dingshun Lv, Weiluo Ren, Hai Xiao, Ji Chen, Changsu Cao
Abstract: Local curvature of potential energy surfaces is critical for predicting certain experimental observables of molecules and materials from first principles, yet it remains far beyond reach for complex systems. In this work, we introduce a Hessian-informed Machine Learning Interatomic Potential (Hi-MLIP) that captures such curvature reliably, thereby enabling accurate analysis of associated thermodynamic and kinetic phenomena. To make Hessian supervision practically viable, we develop a highly efficient training protocol, termed Hessian INformed Training (HINT), achieving two to four orders of magnitude reduction for the requirement of expensive Hessian labels. HINT integrates critical techniques, including Hessian pre-training, configuration sampling, curriculum learning and stochastic projection Hessian loss. Enabled by HINT, Hi-MLIP significantly improves transition-state search and brings Gibbs free-energy predictions close to chemical accuracy especially in data-scarce regimes. Our framework also enables accurate treatment of strongly anharmonic hydrides, reproducing phonon renormalization and superconducting critical temperatures in close agreement with experiment while bypassing the computational bottleneck of anharmonic calculations. These results establish a practical route to enhancing curvature awareness of machine learning interatomic potentials, bridging simulation and experimental observables across a wide range of systems.
Authors: Selim An, Il hong Suh, Yeseong Kim
Abstract: Quantization techniques such as BitsAndBytes, AWQ, and GPTQ are widely used as a standard method in deploying large language models but often degrades accuracy when using low-bit representations, e.g., 4 bits. Low-rank correction methods (e.g., LQER, QERA, ASER) has been proposed to mitigate this issue, however, they restore all layers and insert error-correction modules into every decoder block, which increases latency and memory overhead. To address this limitation, we propose GlowQ, a group-shared low-rank approximation for quantized LLMs that caches a single shared right factor per input-sharing group and restores only the groups or layers that yield the highest accuracy benefit. GlowQ computes the high-precision projection once per input-sharing group and reuses it across its modules, reducing parameter and memory overhead, and retaining the expressivity of layer-specific corrections. We also propose a selective variant, GlowQ-S, that applies the cached shared module only where it provides the largest benefit. Compared with strong baselines, our approach reduces TTFB by (5.6%) and increases throughput by (9.6%) on average, while reducing perplexity on WikiText-2 by (0.17%) and increasing downstream accuracy by 0.42 percentage points. The selective model GlowQ-S further reduces latency, cutting TTFB by (23.4%) and increasing throughput by (37.4%), while maintaining accuracy within 0.2 percentage points on average.
Authors: Jiajun Hu, Nuria Armengol Urpi, Jin Cheng, Stelian Coros
Abstract: Zero-shot reinforcement learning (RL) algorithms aim to learn a family of policies from a reward-free dataset, and recover optimal policies for any reward function directly at test time. Naturally, the quality of the pretraining dataset determines the performance of the recovered policies across tasks. However, pre-collecting a relevant, diverse dataset without prior knowledge of the downstream tasks of interest remains a challenge. In this work, we study $\textit{online}$ zero-shot RL for quadrupedal control on real robotic systems, building upon the Forward-Backward (FB) algorithm. We observe that undirected exploration yields low-diversity data, leading to poor downstream performance and rendering policies impractical for direct hardware deployment. Therefore, we introduce FB-MEBE, an online zero-shot RL algorithm that combines an unsupervised behavior exploration strategy with a regularization critic. FB-MEBE promotes exploration by maximizing the entropy of the achieved behavior distribution. Additionally, a regularization critic shapes the recovered policies toward more natural and physically plausible behaviors. We empirically demonstrate that FB-MEBE achieves and improved performance compared to other exploration strategies in a range of simulated downstream tasks, and that it renders natural policies that can be seamlessly deployed to hardware without further finetuning. Videos and code available on our website.
Authors: Shahbaz Alvi, Italo Epicoco, Jose Maria Costa Saura
Abstract: A growing body of literature has focused on predicting wildfire occurrence using machine learning methods, capitalizing on high-resolution data and fire predictors that canonical process-based frameworks largely ignore. Standard evaluation metrics for an ML classifier, while important, provide a potentially limited measure of the model's operational performance for the Fire Danger Index (FDI) forecast. Furthermore, model evaluation is frequently conducted without adequately accounting for false positive rates, despite their critical relevance in operational contexts. In this paper, we revisit the daily FDI model evaluation paradigm and propose a novel method for evaluating a forest fire forecasting model that is aligned with real-world decision-making. Furthermore, we systematically assess performance in accurately predicting fire activity and the false positives (false alarms). We further demonstrate that an ensemble of ML models improves both fire identification and reduces false positives.
Authors: Benjamin Redden, Hui Wang, Shuyan Li
Abstract: Understanding directed temporal interactions in multivariate time series is essential for interpreting complex dynamical systems and the predictive models trained on them. We present Causal-INSIGHT, a model-agnostic, post-hoc interpretation framework for extracting model-implied (predictor-dependent), directed, time-lagged influence structure from trained temporal predictors. Rather than inferring causal structure at the level of the data-generating process, Causal-INSIGHT analyzes how a fixed, pre-trained predictor responds to systematic, intervention-inspired input clamping applied at inference time. From these responses, we construct directed temporal influence signals that reflect the dependencies the predictor relies on for prediction, and introduce Qbic, a sparsity-aware graph selection criterion that balances predictive fidelity and structural complexity without requiring ground-truth graph labels. Experiments across synthetic, simulated, and realistic benchmarks show that Causal-INSIGHT generalizes across diverse backbone architectures, maintains competitive structural accuracy, and yields significant improvements in temporal delay localization when applied to existing predictors.
Authors: Manuel Milling, Andreas Triantafyllopoulos, Alexander Gebhard, Simon Rampp, Bj\"orn W. Schuller
Abstract: Transfer learning is a crucial concept within deep learning that allows artificial neural networks to benefit from a large pre-training data basis when confronted with a task of limited data. Despite its ubiquitous use and clear benefits, there are still many open questions regarding the inner workings of transfer learning and, in particular, regarding the understanding of when and how well it works. To that extent, we perform a rigorous study focusing on audio-to-audio transfer learning, in which we pre-train various model states on (ontology-based) subsets of AudioSet and fine-tune them on three computer audition tasks, namely acoustic scene recognition, bird activity recognition, and speech command recognition. We report that increasing the number of samples and classes in the pre-training data both have a positive impact on transfer learning. This is, however, generally surpassed by similarity between pre-training and the downstream task, which can lead the model to learn comparable features.
Authors: Moazzam Umer Gondal, Hamad ul Qudous, Asma Ahmad Farhan, Sultan Alamri
Abstract: Accurate short-term air-quality forecasting is essential for public health protection and urban management, yet many recent forecasting frameworks rely on complex, data-intensive, and computationally demanding models. This study investigates whether lightweight and interpretable forecasting approaches can provide competitive performance for hourly PM2.5 prediction in Beijing, China. Using multi-year pollutant and meteorological time-series data, we developed a leakage-aware forecasting workflow that combined chronological data partitioning, preprocessing, feature selection, and exogenous-driver modeling under the Perfect Prognosis setting. Three forecasting families were evaluated: SARIMAX, Facebook Prophet, and NeuralProphet. To assess practical deployment behavior, the models were tested under two adaptive regimes: weekly walk-forward refitting and frozen forecasting with online residual correction. Results showed clear differences in both predictive accuracy and computational efficiency. Under walk-forward refitting, Facebook Prophet achieved the strongest completed performance, with an MAE of $37.61$ and an RMSE of $50.10$, while also requiring substantially less execution time than NeuralProphet. In the frozen-model regime, online residual correction improved Facebook Prophet and SARIMAX, with corrected SARIMAX yielding the lowest overall error (MAE $32.50$; RMSE $46.85$). NeuralProphet remained less accurate and less stable across both regimes, and residual correction did not improve its forecasts. Notably, corrected Facebook Prophet reached nearly the same error as its walk-forward counterpart while reducing runtime from $15$ min $21.91$ sec to $46.60$ sec. These findings show that lightweight additive forecasting strategies can remain highly competitive for urban air-quality prediction, offering a practical balance between accuracy, interpretability, ...
Authors: Wenzhuo Qian, Hailiang Zhao, Ziqi Wang, Zhipeng Gao, Jiayi Chen, Zhiwei Ling, Shuiguang Deng
Abstract: Automated incident management is critical for microservice reliability. While recent unified frameworks leverage multimodal data for joint optimization, they unrealistically assume perfect data completeness. In practice, network fluctuations and agent failures frequently cause missing modalities. Existing approaches relying on static placeholders introduce imputation noise that masks anomalies and degrades performance. To address this, we propose ARMOR, a robust self-supervised framework designed for missing modality scenarios. ARMOR features: (i) a modality-specific asymmetric encoder that isolates distribution disparities among metrics, logs, and traces; and (ii) a missing-aware gated fusion mechanism utilizing learnable placeholders and dynamic bias compensation to prevent cross-modal interference from incomplete inputs. By employing self-supervised auto-regression with mask-guided reconstruction, ARMOR jointly optimizes anomaly detection (AD), failure triage (FT), and root cause localization (RCL). AD and RCL require no fault labels, while FT relies solely on failure-type annotations for the downstream classifier. Extensive experiments demonstrate that ARMOR achieves state-of-the-art performance under complete data conditions and maintains robust diagnostic accuracy even with severe modality loss.
Authors: Neha K. Nair, Aaron D'Souza
Abstract: Saccharomyces cerevisiae is a cornerstone organism in industrial biotechnology, valued for its genetic tractability and robust fermentative capacity. Accurately predicting biomass flux across diverse environmental and genetic perturbations remains a significant challenge for rational strain design. We present a computational framework combining the Yeast9 genome-scale metabolic model with machine learning and optimization to predict, interpret, and enhance biomass flux. Flux balance analysis generated 2,000 flux profiles by varying glucose, oxygen, and ammonium uptake rates. Random Forest and XGBoost regressors achieved R2 of 0.99989 and 0.9990, respectively. A variational autoencoder revealed four distinct metabolic clusters, and SHAP analysis identified glycolysis, the TCA cycle, and lipid biosynthesis as key biomass determinants. In silico overexpression achieved a biomass flux of 0.979 gDW/hr, while Bayesian optimization of nutrient constraints produced a 12-fold increase (0.0858 to 1.041 gDW/hr). A generative adversarial network proposed stoichiometrically feasible novel flux configurations. This framework demonstrates how genome-scale simulation, interpretable ML, and generative modeling can advance yeast metabolic engineering.
Authors: Yuqian Fu, Haohuan Huang, Kaiwen Jiang, Yuanheng Zhu, Dongbin Zhao
Abstract: On-policy distillation (OPD) is appealing for large language model (LLM) post-training because it evaluates teacher feedback on student-generated rollouts rather than fixed teacher traces. In long-horizon settings, however, the common sampled-token variant is fragile: it reduces distribution matching to a one-token signal and becomes increasingly unreliable as rollouts drift away from prefixes the teacher commonly visits. We revisit OPD from the estimator and implementation sides. Theoretically, token-level OPD is biased relative to sequence-level reverse-KL, but it has a much tighter worst-case variance bound; our toy study shows the same tradeoff empirically, with stronger future-reward coupling producing higher gradient variance and less stable learning. Empirically, we identify three failure modes of sampled-token OPD: an imbalanced one-token signal, unreliable teacher guidance on student-generated prefixes, and distortions caused by tokenizer or special-token mismatch. We address these issues with teacher top-K local support matching, implemented as truncated reverse-KL with top-p rollout sampling and special-token masking. Across single-task math reasoning and multi-task agentic-plus-math training, this objective yields more stable optimization and better downstream performance than sampled-token OPD.
Authors: Kewei Zhu, Yanze Xin, Jinwei Hu, Xiaoyuan Cheng, Yiming Yang, Sibo Cheng
Abstract: Predicting high-dimensional dynamical systems with irregular time steps presents significant challenges for current data-driven algorithms. These irregularities arise from missing data, sparse observations, or adaptive computational techniques, reducing prediction accuracy. To address these limitations, we propose a novel method: a Physics-Spatiotemporal Masked Autoencoder. This method integrates convolutional autoencoders for spatial feature extraction with masked autoencoders optimised for irregular time series, leveraging attention mechanisms to reconstruct the entire physical sequence in a single prediction pass. The model avoids the need for data imputation while preserving physical integrity of the system. Here, 'physics' refers to high-dimensional fields generated by underlying dynamical systems, rather than the enforcement of explicit physical constraints or PDE residuals. We evaluate this approach on multiple simulated datasets and real-world ocean temperature data. The results demonstrate that our method achieves significant improvements in prediction accuracy, robustness to nonlinearities, and computational efficiency over traditional convolutional and recurrent network methods. The model shows potential for capturing complex spatiotemporal patterns without requiring domain-specific knowledge, with applications in climate modelling, fluid dynamics, ocean forecasting, environmental monitoring, and scientific computing.
Authors: Liping Yi, Zhiming Zhao, Qinghua Hu
Abstract: Social learning highlights that learning agents improve not in isolation, but through interaction and structured knowledge exchange with others. When introduced into machine learning, this principle gives rise to social machine learning (SML), where multiple agents collaboratively learn by sharing abstracted knowledge. Federated learning (FL) provides a natural collaboration substrate for this paradigm, yet existing heterogeneous FL approaches often rely on sharing model parameters or intermediate representations, which may expose sensitive information and incur additional overhead. In this work, we propose SoHip (Social Hippocampus Memory Learning), a memory-centric social machine learning framework that enables collaboration among heterogeneous agents via memory sharing rather than model sharing. SoHip abstracts each agent's individual short-term memory from local representations, consolidates it into individual long-term memory through a hippocampus-inspired mechanism, and fuses it with collectively aggregated long-term memory to enhance local prediction. Throughout the process, raw data and local models remain on-device, while only lightweight memory are exchanged. We provide theoretical analysis on convergence and privacy preservation properties. Experiments on two benchmark datasets with seven baselines demonstrate that SoHip consistently outperforms existing methods, achieving up to 8.78% accuracy improvements.
Authors: Armand de Villeroch\'e, Rem-Sophia Mouradi, Vincent Le Guen, Sibo Cheng, Marc Bocquet, Alban Farchi, Patrick Armand, Patrick Massin
Abstract: Air flow modeling at a local scale is essential for applications such as pollutant dispersion modeling or wind farm modeling. To circumvent costly Computational Fluid Dynamics (CFD) computations, deep learning surrogate models have recently emerged as promising alternatives. However, in the context of urban air flow, deep learning models struggle to adapt to the high variations of the urban geometry and to large mesh sizes. To tackle these challenges, we introduce Anchored Branched Steady-state WInd Flow Transformer (AB-SWIFT), a transformer-based model with an internal branched structure uniquely designed for atmospheric flow modeling. We train our model on a specially designed database of atmospheric simulations around randomised urban geometries and with a mixture of unstable, neutral, and stable atmospheric stratifications. Our model reaches the best accuracy on all predicted fields compared to state-of-the-art transformers and graph-based models. Our code and data is available at https://github.com/cerea-daml/abswift.
Authors: John Ayotunde, Qinghua Xu, Guancheng Wang, Lionel C. Briand
Abstract: Safety monitoring is essential for Cyber-Physical Systems (CPSs). However, unsafe events are rare in real-world CPS operations, creating an extreme class imbalance that degrades safety predictors. Standard rebalancing techniques perform poorly on time-series CPS telemetry, either generating unrealistic synthetic samples or overfitting on the minority class. Meanwhile, behavioral uncertainty in CPS operations, defined as the degree of doubt or uncertainty in CPS decisions , is often correlated with safety outcomes but unexplored in safety monitoring. To that end, we propose U-Balance, a supervised approach that leverages behavioral uncertainty to rebalance imbalanced datasets prior to training a safety predictor. U-Balance first trains a GatedMLP-based uncertainty predictor that summarizes each telemetry window into distributional kinematic features and outputs an uncertainty score. It then applies an uncertainty-guided label rebalancing (uLNR) mechanism that probabilistically relabels \textit{safe}-labeled windows with unusually high uncertainty as \textit{unsafe}, thereby enriching the minority class with informative boundary samples without synthesizing new data. Finally, a safety predictor is trained on the rebalanced dataset for safety monitoring. We evaluate U-Balance on a large-scale UAV benchmark with a 46:1 safe-to-unsafe ratio. Results confirm a moderate but significant correlation between behavioral uncertainty and safety. We then identify uLNR as the most effective strategy to exploit uncertainty information, compared to direct early and late fusion. U-Balance achieves a 0.806 F1 score, outperforming the strongest baseline by 14.3 percentage points, while maintaining competitive inference efficiency. Ablation studies confirm that both the GatedMLP-based uncertainty predictor and the uLNR mechanism contribute significantly to U-Balance's effectiveness.
Authors: Diego Jimenez-Oviedo, Ruben Vera-Rodriguez, Ruben Tolosana, Juan Carlos Ruiz-Garcia, Jaime Herreros-Rodriguez
Abstract: Early detection of atypical cognitive-motor development is critical for timely intervention, yet traditional assessments rely heavily on subjective, static evaluations. The integration of digital devices offers an opportunity for continuous, objective monitoring through digital biomarkers. In this work, we propose an AI-driven longitudinal framework to model developmental trajectories in children aged 18 months to 8 years. Using a dataset of tablet-based interactions collected over multiple academic years, we analyzed six cognitive-motor tasks (e.g., fine motor control, reaction time). We applied dimensionality reduction (t-SNE) and unsupervised clustering (K-Means++) to identify distinct developmental phenotypes and tracked individual transitions between these profiles over time. Our analysis reveals three distinct profiles: low, medium, and high performance. Crucially, longitudinal tracking highlights a high stability in the low-performance cluster (>90% retention in early years), suggesting that early deficits tend to persist without intervention. Conversely, higher-performance clusters show greater variability, potentially reflecting engagement factors. This study validates the use of unsupervised learning on touchscreen data to uncover heterogeneous developmental paths. The identified profiles serve as scalable, data-driven proxies for cognitive growth, offering a foundation for early screening tools and personalized pediatric interventions.
Authors: Shashank Subramanian, Alexander Kiefer, Arnur Nigmetov, Amir Gholami, Dmitriy Morozov, Michael W. Mahoney
Abstract: Neural scaling laws, which in some domains can predict the performance of large neural networks as a function of model, data, and compute scale, are the cornerstone of building foundation models in Natural Language Processing and Computer Vision. We study neural scaling in Scientific Machine Learning, focusing on models for weather forecasting. To analyze scaling behavior in as simple a setting as possible, we adopt a minimal, scalable, general-purpose Swin Transformer architecture, and we use continual training with constant learning rates and periodic cooldowns as an efficient training strategy. We show that models trained in this minimalist way follow predictable scaling trends and even outperform standard cosine learning rate schedules. Cooldown phases can be re-purposed to improve downstream performance, e.g., enabling accurate multi-step rollouts over longer forecast horizons as well as sharper predictions through spectral loss adjustments. We also systematically explore a wide range of model and dataset sizes under various compute budgets to construct IsoFLOP curves, and we identify compute-optimal training regimes. Extrapolating these trends to larger scales highlights potential performance limits, demonstrating that neural scaling can serve as an important diagnostic for efficient resource allocation. We open-source our code for reproducibility.
Authors: Xueji Zhao, Likai Pei, Jianbo Liu, Kai Ni, Ningyuan Cao
Abstract: Trustworthy artificial intelligence increasingly relies on probabilistic computation to achieve robustness, interpretability, security and privacy. In practical systems, such workloads interleave deterministic data access with repeated stochastic sampling across models, data paths and system functions, shifting performance bottlenecks from arithmetic units to memory systems that must deliver both data and randomness. Here we present a unified data-access perspective in which deterministic access is treated as a limiting case of stochastic sampling, enabling both modes to be analyzed within a common framework. This view reveals that increasing stochastic demand reduces effective data-access efficiency and can drive systems into entropy-limited operation. Based on this insight, we define memory-level evaluation criteria, including unified operation, distribution programmability, efficiency, robustness to hardware non-idealities and parallel compatibility. Using these criteria, we analyze limitations of conventional architectures and examine emerging probabilistic compute-in-memory approaches that integrate sampling with memory access, outlining pathways toward scalable hardware for trustworthy AI.
Authors: Man-Ling Sung, Jan Silovsky, Man-Hung Siu, Herbert Gish, Chinnu Pittapally
Abstract: Transfer learning and knowledge distillation has recently gained a lot of attention in the deep learning community. One transfer approach, the student-teacher learning, has been shown to successfully create ``small'' student neural networks that mimic the performance of a much bigger and more complex ``teacher'' networks. In this paper, we investigate an extension to this approach and transfer from a non-neural-based machine learning pipeline as teacher to a neural network (NN) student, which would allow for joint optimization of the various pipeline components and a single unified inference engine for multiple ML tasks. In particular, we explore replacing the random forest classifier by transfer learning to a student NN. We experimented with various NN topologies on 100 OpenML tasks in which random forest has been one of the best solutions. Our results show that for the majority of the tasks, the student NN can indeed mimic the teacher if one can select the right NN hyper-parameters. We also investigated the use of random forest for selecting the right NN hyper-parameters.
Authors: Qijun Liao, Jue Yang
Abstract: This paper proposes a unified control framework based on Response-Aware Risk-Constrained Control Barrier Function for dynamic safety boundary control of vehicles. Addressing the problem of physical model parameter mismatch, the framework constructs an uncertainty propagation model that fuses nominal dynamics priors with direct vehicle body responses. Utilizing simplified single-track dynamics to provide a baseline direction for control gradients and covering model deviations through statistical analysis of body response signals, the framework eliminates the dependence on accurate online estimation of road surface adhesion coefficients. By introducing Conditional Value at Risk (CVaR) theory, the framework reformulates traditional deterministic safety constraints into probabilistic constraints on the tail risk of barrier function derivatives. Combined with a Bayesian online learning mechanism based on inverse Wishart priors, it identifies environmental noise covariance in real-time, adaptively tuning safety margins to reduce performance loss under prior parameter mismatch. Finally, based on Control Lyapunov Function (CLF), a unified Second-Order Cone Programming (SOCP) controller is constructed. Theoretical analysis establishes convergence of Sequential Convex Programming to local Karush-Kuhn-Tucker points and provides per-step probabilistic safety bounds. High-fidelity dynamics simulations demonstrate that under extreme conditions, the method not only eliminates the output divergence phenomenon of traditional methods but also achieves Pareto improvement in both safety and tracking performance. For the chosen risk level, the per-step safety violation probability is theoretically bounded by approximately 2%, validated through high-fidelity simulations showing zero boundary violations across all tested scenarios.
Authors: Wandemberg Gibaut, Alexandre Osorio, Amparo Munoz, Sildolfo F. G. Neto, Fabio Grassiotto
Abstract: The study explores a hybrid centralized-federated approach for Human Activity Recognition (HAR) using a Transformer-based architecture. With the increasing ubiquity of edge devices, such as smartphones and wearables, a significant amount of private data from wearable and inertial sensors is generated, facilitating discreet monitoring of human activities, including resting, sleeping, and walking. This research focuses on deploying HAR technologies using mobile sensor data and leveraging Federated Learning within the Flower framework to evaluate the training of a federated model derived from a centralized baseline. The experimental results demonstrate the effectiveness of the proposed hybrid approach in improving the accuracy and robustness of HAR models while preserving data privacy in a non-IID data scenario. The federated learning setup demonstrated comparable performance to centralized models, highlighting the potential of federated learning to strike a balance between data privacy and model performance in real-world applications.
Authors: Arlen Dean, Zijin Zhang, Stefanus Jasin, Yuqing Liu
Abstract: Deploying multiple large language models (LLMs) in parallel to classify an unknown ground-truth label is a common practice, yet the problem of optimally allocating queries across heterogeneous models remains poorly understood. In this paper, we formulate a robust, offline query-planning problem that minimizes total query cost subject to statewise error constraints which guarantee reliability for every possible ground-truth label. We first establish that this problem is NP-hard via a reduction from the minimum-weight set cover problem. To overcome this intractability, we develop a surrogate by combining a union bound decomposition of the multi-class error into pairwise comparisons with Chernoff-type concentration bounds. The resulting surrogate admits a closed-form, multiplicatively separable expression in the query counts and is guaranteed to be feasibility-preserving. We further show that the surrogate is asymptotically tight at the optimization level: the ratio of surrogate-optimal cost to true optimal cost converges to one as error tolerances shrink, with an explicit rate of $O\left(\log\log(1/\alpha_{\min}) / \log(1/\alpha_{\min})\right)$. Finally, we design an asymptotic fully polynomial-time approximation scheme (AFPTAS) that returns a surrogate-feasible query plan within a $(1+\varepsilon)$ factor of the surrogate optimum.
Authors: Mohyeu Hussain, David Koblah, Reiner Dizon-Paradis, Domenic Forte
Abstract: Analog-mixed-signal (AMS) circuits are highly non-linear and operate on continuous real-world signals, making them far more difficult to model with data-driven AI than digital blocks. To close the gap between structured design data (device dimensions, bias voltages, etc.) and real-world performance, we propose a causal-inference framework that first discovers a directed-acyclic graph (DAG) from SPICE simulation data and then quantifies parameter impact through Average Treatment Effect (ATE) estimation. The approach yields human-interpretable rankings of design knobs and explicit 'what-if' predictions, enabling designers to understand trade-offs in sizing and topology. We evaluate the pipeline on three operational-amplifier families (OTA, telescopic, and folded-cascode) implemented in TSMC 65nm and benchmark it against a baseline neural-network (NN) regressor. Across all circuits the causal model reproduces simulation-based ATEs with an average absolute error of less than 25%, whereas the neural network deviates by more than 80% and frequently predicts the wrong sign. These results demonstrate that causal AI provides both higher accuracy and explainability, paving the way for more efficient, trustworthy AMS design automation.
Authors: Yuichiro Iwashita, Ahtisham Fazeel Abbasi, Muhammad Nabeel Asim, Andreas Dengel
Abstract: Single-cell RNA sequencing (scRNA-seq) is inherently affected by sparsity caused by dropout events, in which expressed genes are recorded as zeros due to technical limitations. These artifacts distort gene expression distributions and can compromise downstream analyses. Numerous imputation methods have been proposed to address this, and these methods encompass a wide range of approaches from traditional statistical models to recently developed deep learning (DL)-based methods. However, their comparative performance remains unclear, as existing benchmarking studies typically evaluate only a limited subset of methods, datasets, and downstream analytical tasks. Here, we present a comprehensive benchmark of 15 scRNA-seq imputation methods spanning 7 methodological categories, including traditional and modern DL-based methods. These methods are evaluated across 30 datasets sourced from 10 experimental protocols and assessed in terms of 6 downstream analytical tasks. Our results show that traditional imputation methods, such as model-based, smoothing-based, and low-rank matrix-based methods, generally outperform DL-based methods, such as diffusion-based, GAN-based, GNN-based, and autoencoder-based methods. In addition, strong performance in numerical gene expression recovery does not necessarily translate into improved biological interpretability in downstream analyses. Furthermore, the performance of imputation methods varies substantially across datasets, protocols, and downstream analytical tasks, and no single method consistently outperforms others across all evaluation scenarios. Together, our results provide practical guidance for selecting imputation methods tailored to specific analytical objectives and highlight the importance of task-specific evaluation when assessing imputation performance in scRNA-seq data analysis.
Authors: Matteo Salvatori, Filippo Vannella, Sebastian Macaluso, Stylianos E. Trevlakis, Carlos Segura Perales, Jos\'e Suarez-Varela, Alexandros-Apostolos A. Boulogeorgos, Ioannis Arapakis
Abstract: HandOver (HO) control in cellular networks is governed by a set of HO control parameters that are traditionally configured through rule-based heuristics. A key parameter for HO optimization is the Cell Individual Offset (CIO), defined for each pair of neighboring cells and used to bias HO triggering decisions. At network scale, tuning CIOs becomes a tightly coupled problem: small changes can redirect mobility flows across multiple neighbors, and static rules often degrade under non-stationary traffic and mobility. We exploit the pairwise structure of CIOs by formulating HO optimization as a Decentralized Partially Observable Markov Decision Process (Dec-POMDP) on the network's dual graph. In this representation, each agent controls a neighbor-pair CIO and observes Key Performance Indicators (KPIs) aggregated over its local dual-graph neighborhood, enabling scalable decentralized decisions while preserving graph locality. Building on this formulation, we propose TD3-D-MA, a discrete Multi-Agent Reinforcement Learning (MARL) variant of the TD3 algorithm with a shared-parameter Graph Neural Network (GNN) actor operating on the dual graph and region-wise double critics for training, improving credit assignment in dense deployments. We evaluate TD3-D-MA in an ns-3 system-level simulator configured with real-world network operator parameters across heterogeneous traffic regimes and network topologies. Results show that TD3-D-MA improves network throughput over standard HO heuristics and centralized RL baselines, and generalizes robustly under topology and traffic shifts.
Authors: Shwai He, Guoheng Sun, Haichao Zhang, Yun Fu, Ang Li
Abstract: Network pruning, which removes less important parameters or architectures, is often expected to improve efficiency while preserving performance. However, this expectation does not consistently hold across language tasks: pruned models can perform well on non-generative tasks but frequently fail in generative settings. To understand this discrepancy, we analyze network pruning from a representation-hierarchy perspective, decomposing the internal computation of language models into three sequential spaces: embedding (hidden representations), logit (pre-softmax outputs), and probability (post-softmax distributions). We find that representations in the embedding and logit spaces are largely robust to pruning-induced perturbations. However, the nonlinear transformation from logits to probabilities amplifies these deviations, which accumulate across time steps and lead to substantial degradation during generation. In contrast, the stability of the categorical-token probability subspace, together with the robustness of the embedding space, supports the effectiveness of pruning for non-generative tasks such as retrieval and multiple-choice selection. Our analysis disentangles the effects of pruning across tasks and provides practical guidance for its application. Code is available at https://github.com/CASE-Lab-UMD/Pruning-on-Representations
URLs: https://github.com/CASE-Lab-UMD/Pruning-on-Representations
Authors: Vasilis Belis, Joseph Bowles, Rishabh Gupta, Evan Peters, Maria Schuld
Abstract: This article presents an argument for why quantum computers could unlock new methods for machine learning. We argue that spectral methods, in particular those that learn, regularise, or otherwise manipulate the Fourier spectrum of a machine learning model, are often natural for quantum computers. For example, if a generative machine learning model is represented by a quantum state, the Quantum Fourier Transform allows us to manipulate the Fourier spectrum of the state using the entire toolbox of quantum routines, an operation that is usually prohibitive for classical models. At the same time, spectral methods are surprisingly fundamental to machine learning: A spectral bias has recently been hypothesised to be the core principle behind the success of deep learning; support vector machines have been known for decades to regularise in Fourier space, and convolutional neural nets build filters in the Fourier space of images. Could, then, quantum computing open fundamentally different, much more direct and resource-efficient ways to design the spectral properties of a model? We discuss this potential in detail here, hoping to stimulate a direction in quantum machine learning research that puts the question of ``why quantum?'' first.
Authors: Tian Bai, Ying Jin
Abstract: In deploying artificial intelligence (AI) models, selective prediction offers the option to abstain from making a prediction when uncertain about model quality. To fulfill its promise, it is crucial to enforce strict and precise error control over cases where the model is trusted. We propose Selective Conformal Risk control with E-values (SCoRE), a new framework for deriving such decisions for any trained model and any user-defined, bounded and continuously-valued risk. SCoRE offers two types of guarantees on the risk among ``positive'' cases in which the system opts to trust the model. Built upon conformal inference and hypothesis testing ideas, SCoRE first constructs a class of (generalized) e-values, which are non-negative random variables whose product with the unknown risk has expectation no greater than one. Such a property is ensured by data exchangeability without requiring any modeling assumptions. Passing these e-values on to hypothesis testing procedures, we yield the binary trust decisions with finite-sample error control. SCoRE avoids the need of uniform concentration, and can be readily extended to settings with distribution shifts. We evaluate the proposed methods with simulations and demonstrate their efficacy through applications to error management in drug discovery, health risk prediction, and large language models.
Authors: Easton Huch, Michael Keane
Abstract: Discrete choice models are fundamental tools in management science, economics, and marketing for understanding and predicting decision-making. Logit-based models are dominant in applied work, largely due to their convenient closed-form expressions for choice probabilities. However, these models entail restrictive assumptions on the stochastic utility component, constraining our ability to capture realistic and theoretically grounded choice behavior$-$most notably, substitution patterns. In this work, we propose an amortized inference approach using a neural network emulator to approximate choice probabilities for general error distributions, including those with correlated errors. Our proposal includes a specialized neural network architecture and accompanying training procedures designed to respect the invariance properties of discrete choice models. We provide group-theoretic foundations for the architecture, including a proof of universal approximation given a minimal set of invariant features. Once trained, the emulator enables rapid likelihood evaluation and gradient computation. We use Sobolev training, augmenting the likelihood loss with a gradient-matching penalty so that the emulator learns both choice probabilities and their derivatives. We show that emulator-based maximum likelihood estimators are consistent and asymptotically normal under mild approximation conditions, and we provide sandwich standard errors that remain valid even with imperfect likelihood approximation. Simulations show significant gains over the GHK simulator in accuracy and speed.
Authors: Shengli Zhou, Minghang Zheng, Feng Zheng, Yang Liu
Abstract: Spatial reasoning focuses on locating target objects based on spatial relations in 3D scenes, which plays a crucial role in developing intelligent embodied agents. Due to the limited availability of 3D scene-language paired data, it is challenging to train models with strong reasoning ability from scratch. Previous approaches have attempted to inject 3D scene representations into the input space of Large Language Models (LLMs) and leverage the pretrained comprehension and reasoning abilities for spatial reasoning. However, models encoding absolute positions struggle to extract spatial relations from prematurely fused features, while methods explicitly encoding all spatial relations (which is quadratic in the number of objects) as input tokens suffer from poor scalability. To address these limitations, we propose QuatRoPE, a novel positional embedding method with an input length that is linear to the number of objects, and explicitly calculates pairwise spatial relations through the dot product in attention layers. QuatRoPE's holistic vector encoding of 3D coordinates guarantees a high degree of spatial consistency, maintaining fidelity to the scene's geometric integrity. Additionally, we introduce the Isolated Gated RoPE Extension (IGRE), which effectively limits QuatRoPE's influence to object-related tokens, thereby minimizing interference with the LLM's existing positional embeddings and maintaining the LLM's original capabilities. Extensive experiments demonstrate the effectiveness of our approaches. The code and data are available at https://github.com/oceanflowlab/QuatRoPE.
Authors: Zaid Abulawi (Department of Nuclear Engineering, Texas A&M University, Nuclear Science and Engineering Division, Argonne National Laboratory), Zavier Ndum Ndum (Department of Nuclear Engineering, Texas A&M University, Nuclear Science and Engineering Division, Argonne National Laboratory), Eric Cervi (Nuclear Science and Engineering Division, Argonne National Laboratory), Rui Hu (Nuclear Science and Engineering Division, Argonne National Laboratory), Yang Liu (Department of Nuclear Engineering, Texas A&M University)
Abstract: In the design and safety analysis of advanced reactor systems, constructing input files for system-level thermal-hydraulics codes such as the System Analysis Module (SAM) remains a labor-intensive task. Analysts must extract and reconcile design data from heterogeneous engineering documents and manually translate it into solver-specific syntax. In this paper, we present AutoSAM, an agentic framework that automates SAM input file generation. The framework combines a large language model agent with retrieval-augmented generation over the solver's user guide and theory manual, together with specialized tools for analyzing PDFs, images, spreadsheets, and text files. AutoSAM ingests unstructured engineering documents, including system diagrams, design reports, and data tables, extracts simulation-relevant parameters into a human-auditable intermediate representation, and synthesizes validated, solver-compatible input decks. Its multimodal retrieval pipeline integrates scientific text extraction, vision-based figure interpretation, semantic embedding, and query answering. We evaluate AutoSAM on four case studies of increasing complexity: a single-pipe steady-state model, a solid-fuel channel with temperature reactivity feedback, the Advanced Burner Test Reactor core, and the Molten Salt Reactor Experiment primary loop. Across all cases, the agent produces runnable SAM models consistent with expected thermal-hydraulic behavior while explicitly identifying missing data and labeling assumed values. The framework achieves 100% utilization of structured inputs, about 88% extraction from PDF text, and 100% completeness in vision-based geometric extraction. These results demonstrate a practical path toward prompt-driven reactor modeling, in which analysts provide system descriptions and supporting documentation while the agent translates them into transparent, and executable, SAM simulations.
Authors: Daniel Benniah John
Abstract: Efficient task scheduling in large-scale distributed systems presents significant challenges due to dynamic workloads, heterogeneous resources, and competing quality-of-service requirements. Traditional centralized approaches face scalability limitations and single points of failure, while classical heuristics lack adaptability to changing conditions. This paper proposes a decentralized multi-agent deep reinforcement learning (DRL-MADRL) framework for task scheduling in heterogeneous distributed systems. We formulate the problem as a Decentralized Partially Observable Markov Decision Process (Dec-POMDP) and develop a lightweight actor-critic architecture implemented using only NumPy, enabling deployment on resource-constrained edge devices without heavyweight machine learning frameworks. Using workload characteristics derived from the publicly available Google Cluster Trace dataset, we evaluate our approach on a 100-node heterogeneous system processing 1,000 tasks per episode over 30 experimental runs. Experimental results demonstrate 15.6% improvement in average task completion time (30.8s vs 36.5s for random baseline), 15.2% energy efficiency gain (745.2 kWh vs 878.3 kWh), and 82.3% SLA satisfaction compared to 75.5% for baselines, with all improvements statistically significant (p < 0.001). The lightweight implementation requires only NumPy, Matplotlib, and SciPy. Complete source code and experimental data are provided for full reproducibility at https://github.com/danielbenniah/marl-distributed-scheduling.
URLs: https://github.com/danielbenniah/marl-distributed-scheduling.
Authors: Adeela Bashir, Zhao Song, Ndidi Bianca Ogbo, Nataliya Balabanova, Martin Smit, Chin-wing Leung, Paolo Bova, Manuel Chica Serrano, Dhanushka Dissanayake, Manh Hong Duong, Elias Fernandez Domingos, Nikita Huber-Kralj, Marcus Krellner, Andrew Powell, Stefan Sarkadi, Fernando P. Santos, Zia Ush Shamszaman, Chaimaa Tarzi, Paolo Turrini, Grace Ibukunoluwa Ufeoshi, Victor A. Vargas-Perez, Alessandro Di Stefano, Simon T. Powers, The Anh Han
Abstract: AI safety is an increasingly urgent concern as the capabilities and adoption of AI systems grow. Existing evolutionary models of AI governance have primarily examined incentives for safe development and effective regulation, typically representing users' trust as a one-shot adoption choice rather than as a dynamic, evolving process shaped by repeated interactions. We instead model trust as reduced monitoring in a repeated, asymmetric interaction between users and AI developers, where checking AI behaviour is costly. Using evolutionary game theory, we study how user trust strategies and developer choices between safe (compliant) and unsafe (non-compliant) AI co-evolve under different levels of monitoring cost and institutional regimes. We complement the infinite-population replicator analysis with stochastic finite-population dynamics and reinforcement learning (Q-learning) simulations. Across these approaches, we find three robust long-run regimes: no adoption with unsafe development, unsafe but widely adopted systems, and safe systems that are widely adopted. Only the last is desirable, and it arises when penalties for unsafe behaviour exceed the extra cost of safety and users can still afford to monitor at least occasionally. Our results formally support governance proposals that emphasise transparency, low-cost monitoring, and meaningful sanctions, and they show that neither regulation alone nor blind user trust is sufficient to prevent evolutionary drift towards unsafe or low-adoption outcomes.
Authors: Pronob Kumar Barman, Tera L. Reynolds. James Foulds
Abstract: Online Health Communities connect patients for peer support, but users face a discovery challenge when they have minimal prior interactions to guide personalization. We study recommendation under extreme interaction sparsity in a survey driven setting where each user provides a 16 dimensional intake vector and each support group has a structured feature profile. We extend Neural Collaborative Filtering architectures, including Matrix Factorization, Multi Layer Perceptron, and NeuMF, with an auxiliary pseudo label objective derived from survey group feature alignment using cosine similarity mapped to [0, 1]. The resulting Pseudo Label NCF learns dual embedding spaces: main embeddings for ranking and pseudo label embeddings for semantic alignment. We evaluate on a dataset of 165 users and 498 support groups using a leave one out protocol that reflects cold start conditions. All pseudo label variants improve ranking performance: MLP improves HR@5 from 2.65% to 5.30%, NeuMF from 4.46% to 5.18%, and MF from 4.58% to 5.42%. Pseudo label embedding spaces also show higher cosine silhouette scores than baseline embeddings, with MF improving from 0.0394 to 0.0684 and NeuMF from 0.0263 to 0.0653. We further observe a negative correlation between embedding separability and ranking accuracy, indicating a trade off between interpretability and performance. These results show that survey derived pseudo labels improve recommendation under extreme sparsity while producing interpretable task specific embedding spaces.
Authors: Vivienne Pelletier, Vedant Bhat, Daniel J. Rivera, Steven A. Wilson, Christopher L. Muhich
Abstract: Machine-learned interatomic potentials (MLIPs), particularly graph neural network (GNN)-based models, offer a promising route to achieving near-density functional theory (DFT) accuracy at significantly reduced computational cost. However, their practical deployment is often limited by the large volumes of expensive quantum mechanical training data required. In this work, we introduce a transfer learning framework, Transfer-PaiNN (T-PaiNN), that substantially improves the data efficiency of GNN-MLIPs by leveraging inexpensive classical force field data. The approach consists of pretraining a PaiNN MLIP architecture on large-scale datasets generated from classical molecular simulations, followed by fine-tuning (dubbed autotuning) using a comparatively small DFT dataset. We demonstrate the effectiveness of autotuning T-PaiNN on both gas-phase molecular systems (QM9 dataset) and condensed-phase liquid water. Across all cases, T-PaiNN significantly outperforms models trained solely on DFT data, achieving order-of-magnitude reductions in mean absolute error while accelerating training convergence. For example, using the QM9 data set, error reductions of up to 25 times are observed in low-data regimes, while liquid water simulations show improved predictions of energies, forces, and experimentally relevant properties such as density and diffusion. These gains arise from the model's ability to learn general features of the potential energy surface from extensive classical sampling, which are subsequently refined to quantum accuracy. Overall, this work establishes transfer learning from classical force fields as a practical and computationally efficient strategy for developing high-accuracy, data-efficient GNN interatomic potentials, enabling broader application of MLIPs to complex chemical systems.
Authors: Sicheng Zhou, Kai Zhang
Abstract: Conditional independence is central to modern statistics, but beyond special parametric families it rarely admits an exact covariance characterization. We introduce the binary expansion group intersection network (BEGIN), a distribution-free graphical representation for multivariate binary data and bit-encoded multinomial variables. For arbitrary binary random vectors and bit representations of multinomial variables, we prove that conditional independence is equivalent to a sparse linear representation of conditional expectations, to a block factorization of the corresponding interaction covariance matrix, and to block diagonality of an associated generalized Schur complement. The resulting graph is indexed by the intersection of multiplicative groups of binary interactions, yielding an analogue of Gaussian graphical modeling beyond the Gaussian setting. This viewpoint treats data bits as atoms and local BEGIN molecules as building blocks for large Markov random fields. We also show how dyadic bit representations allow BEGIN to approximate conditional independence for general random vectors under mild regularity conditions. A key technical device is the Hadamard prism, a linear map that links interaction covariances to group structure.
Authors: Ishan Kumarasinghe, Dasuni Kawya, Madhura Edirisooriya, Isuri Devindi, Isuru Nawinne, Vajira Thambawita
Abstract: Synthetic cardiac MRI (CMRI) generation has emerged as a promising strategy to overcome the scarcity of annotated medical imaging data. Recent advances in GANs, VAEs, diffusion probabilistic models, and flow-matching techniques aim to generate anatomically accurate images while addressing challenges such as limited labeled datasets, vendor variability, and risks of privacy leakage through model memorization. Maskconditioned generation improves structural fidelity by guiding synthesis with segmentation maps, while diffusion and flowmatching models offer strong boundary preservation and efficient deterministic transformations. Cross-domain generalization is further supported through vendor-style conditioning and preprocessing steps like intensity normalization. To ensure privacy, studies increasingly incorporate membership inference attacks, nearest-neighbor analyses, and differential privacy mechanisms. Utility evaluations commonly measure downstream segmentation performance, with evidence showing that anatomically constrained synthetic data can enhance accuracy and robustness across multi-vendor settings. This review aims to compare existing CMRI generation approaches through the lenses of fidelity, utility, and privacy, highlighting current limitations and the need for integrated, evaluation-driven frameworks for reliable clinical workflows.
Authors: Mohammed Nowshad Ruhani Chowdhury, Mohammed Nowaz Rabbani Chowdhury, Sakari Lukkarinen
Abstract: Clinical documentation is a critical factor for patient safety, diagnosis, and continuity of care. The administrative burden of EHRs is a significant factor in physician burnout. This is a critical issue for low-resource languages, including Finnish. This study aims to investigate the effectiveness of a domain-aligned natural language processing (NLP); large language model for medical transcription in Finnish by fine-tuning LLaMA 3.1-8B on a small validated corpus of simulated clinical conversations by students at Metropolia University of Applied Sciences. The fine-tuning process for medical transcription used a controlled preprocessing and optimization approach. The fine-tuning effectiveness was evaluated by sevenfold cross-validation. The evaluation metrics for fine-tuned LLaMA 3.1-8B were BLEU = 0.1214, ROUGE-L = 0.4982, and BERTScore F1 = 0.8230. The results showed a low n-gram overlap but a strong semantic similarity with reference transcripts. This study indicate that fine-tuning can be an effective approach for translation of medical discourse in spoken Finnish and support the feasibility of fine-tuning a privacy-oriented domain-specific large language model for clinical documentation in Finnish. Beside that provide directions for future work.
Authors: Abu Noman Md Sakib, Merjulah Roby, Zijie Zhang, Satish Muluk, Mark K. Eskandari, Ender A. Finol
Abstract: Computed tomography image segmentation of complex abdominal aortic aneurysms (AAA) often fails because the models assign internal focus to irrelevant structures or do not focus on thin, low-contrast targets. Where the model looks is the primary training signal, and thus we propose an Explainable AI (XAI) guided encoder shaping framework. Our method computes a dense, attribution-based encoder focus map ("XAI field") from the final encoder block and uses it in two complementary ways: (i) we align the predicted probability mass to the XAI field to promote agreement between focus and output; and (ii) we route the field into a lightweight refinement pathway and a confidence prior that modulates logits at inference, suppressing distractors while preserving subtle structures. The objective terms serve only as control signals; the contribution is the integration of attribution guidance into representation and decoding. We evaluate clinically validated challenging cases curated for failure-prone scenarios. Compared to a base SAM setup, our implementation yields substantial improvements. The observed gains suggest that explicitly optimizing encoder focus via XAI guidance is a practical and effective principle for reliable segmentation in complex scenarios.
Authors: Deen Dayal Mohan, Hossein Souri, Vitali Petsiuk, Juhong Min, Gopal Sharma, Luowei Zhou, Suren Kumar
Abstract: Until recently, the success of large-scale vision-language models (VLMs) has primarily relied on billion-sample datasets, posing a significant barrier to progress. Latest works have begun to close this gap by improving supervision quality, but each addresses only a subset of the weaknesses in contrastive pretraining. We present GoldiCLIP, a framework built on a Goldilocks principle of finding the right balance of supervision signals. Our multifaceted training framework synergistically combines three key innovations: (1) a text-conditioned self-distillation method to align both text-agnostic and text-conditioned features; (2) an encoder integrated decoder with Visual Question Answering (VQA) objective that enables the encoder to generalize beyond the caption-like queries; and (3) an uncertainty-based weighting mechanism that automatically balances all heterogeneous losses. Trained on just 30 million images, 300x less data than leading methods, GoldiCLIP achieves state-of-the-art among data-efficient approaches, improving over the best comparable baseline by 2.2 points on MSCOCO retrieval, 2.0 on fine-grained retrieval, and 5.9 on question-based retrieval, while remaining competitive with billion-scale models. Project page: https://petsi.uk/goldiclip.
Authors: Katarina Trojachanec Dineva, Stefan Andonov, Ilinka Ivanoska, Ivan Kitanovski, Sasho Gramatikov, Tamara Kostova, Monika Simjanoska Misheva, Kostadin Mishev
Abstract: Recent advances in multimodal large language models enable new possibilities for image-based decision support. However, their reliability and operational trade-offs in neuroimaging remain insufficiently understood. We present a comprehensive benchmarking study of vision-enabled large language models for 2D neuroimaging using curated MRI and CT datasets covering multiple sclerosis, stroke, brain tumors, other abnormalities, and normal controls. Models are required to generate multiple outputs simultaneously, including diagnosis, diagnosis subtype, imaging modality, specialized sequence, and anatomical plane. Performance is evaluated across four directions: discriminative classification with abstention, calibration, structured-output validity, and computational efficiency. A multi-phase framework ensures fair comparison while controlling for selection bias. Across twenty frontier multimodal models, the results show that technical imaging attributes such as modality and plane are nearly solved, whereas diagnostic reasoning, especially subtype prediction, remains challenging. Tumor classification emerges as the most reliable task, stroke is moderately solvable, while multiple sclerosis and rare abnormalities remain difficult. Few-shot prompting improves performance for several models but increases token usage, latency, and cost. Gemini-2.5-Pro and GPT-5-Chat achieve the strongest overall diagnostic performance, while Gemini-2.5-Flash offers the best efficiency-performance trade-off. Among open-weight architectures, MedGemma-1.5-4B demonstrates the most promising results, as under few-shot prompting, it approaches the zero-shot performance of several proprietary models, while maintaining perfect structured output. These findings provide practical insights into performance, reliability, and efficiency trade-offs, supporting standardized evaluation of multimodal LLMs in neuroimaging.
Authors: Lukas Kratochvila, Jakub Stefansky, Simon Bilik, Robert Rous, Tomas Zemcik, Michal Wolny, Frantisek Rusnak, Ondrej Cech, Karel Horak
Abstract: Fire safety consists of a complex pipeline, and it is a very important topic of concern. One of its frontal parts are the smoke detectors, which are supposed to provide an alarm prior to a massive fire appears. As they are often difficult to reach due to high ceilings or problematic locations, an automatic inspection system would be very beneficial as it could allow faster revisions, prevent workers from dangerous work in heights, and make the whole process cheaper. In this study, we present the smoke detector recognition part of the automatic inspection system, which could easily be integrated to the drone system. As part of our research, we compare two popular convolutional-based object detectors YOLOv11 and SSD widely used on embedded devices together with the state-of-the-art transformer-based RT-DETRv2 with the backbones of different sizes. Due to a complicated way of collecting a sufficient amount of data for training in the real-world environment, we also compare several training strategies using the real and semi-synthetic data together with various augmentation methods. To achieve a robust testing, all models were evaluated on two test datasets with an expected and difficult appearance of the smoke detectors including motion blur, small resolution, or not complete objects. The best performing detector is the YOLOv11n, which reaches the average mAP@0.5 score of 0.884. Our code, pretrained models and dataset are publicly available.
Authors: Zhenyi Wang, Siyu Luan
Abstract: As machine learning (ML) systems expand in both scale and functionality, the security landscape has become increasingly complex, with a proliferation of attacks and defenses. However, existing studies largely treat these threats in isolation, lacking a coherent framework to expose their shared principles and interdependencies. This fragmented view hinders systematic understanding and limits the design of comprehensive defenses. Crucially, the two foundational assets of ML -- \textbf{data} and \textbf{models} -- are no longer independent; vulnerabilities in one directly compromise the other. The absence of a holistic framework leaves open questions about how these bidirectional risks propagate across the ML pipeline. To address this critical gap, we propose a \emph{unified closed-loop threat taxonomy} that explicitly frames model-data interactions along four directional axes. Our framework offers a principled lens for analyzing and defending foundation models. The resulting four classes of security threats represent distinct but interrelated categories of attacks: (1) Data$\rightarrow$Data (D$\rightarrow$D): including \emph{data decryption attacks and watermark removal attacks}; (2) Data$\rightarrow$Model (D$\rightarrow$M): including \emph{poisoning, harmful fine-tuning attacks, and jailbreak attacks}; (3) Model$\rightarrow$Data (M$\rightarrow$D): including \emph{model inversion, membership inference attacks, and training data extraction attacks}; (4) Model$\rightarrow$Model (M$\rightarrow$M): including \emph{model extraction attacks}. Our unified framework elucidates the underlying connections among these security threats and establishes a foundation for developing scalable, transferable, and cross-modal security strategies, particularly within the landscape of foundation models.
Authors: A. Feder Cooper, Mark A. Lemley, Christopher De Sa, Lea Duesterwald, Allison Casasola, Jamie Hayes, Katherine Lee, Daniel E. Ho, Percy Liang
Abstract: Recent work shows that standard greedy-decoding extraction methods for quantifying memorization in LLMs miss how extraction risk varies across sequences. Probabilistic extraction -- computing the probability of generating a target suffix given a prefix under a decoding scheme -- addresses this, but is tractable only for verbatim memorization, missing near-verbatim instances that pose similar privacy and copyright risks. Quantifying near-verbatim extraction risk is expensive: the set of near-verbatim suffixes is combinatorially large, and reliable Monte Carlo (MC) estimation can require ~100,000 samples per sequence. To mitigate this cost, we introduce decoding-constrained beam search, which yields deterministic lower bounds on near-verbatim extraction risk at a cost comparable to ~20 MC samples per sequence. Across experiments, our approach surfaces information invisible to verbatim methods: many more extractable sequences, substantially larger per-sequence extraction mass, and patterns in how near-verbatim extraction risk manifests across model sizes and types of text.
Authors: Moshood A. Fakorede, Krishna Upadhyay, A. B. Siddique, Umar Farooq
Abstract: Large language models (LLMs) have shown strong performance on automated software engineering tasks, yet existing benchmarks focus primarily on general-purpose libraries or web applications, leaving mobile application development largely unexplored despite its strict platform constraints, framework-driven lifecycles, and complex platform API interactions. We introduce MobileDev-Bench, a benchmark comprising 384 real-world issue-resolution tasks collected from 18 production mobile applications spanning Android Native (Java/Kotlin), React Native (TypeScript), and Flutter (Dart). Each task pairs an authentic developer-reported issue with executable test patches, enabling fully automated validation of model-generated fixes within mobile build environments. The benchmark exhibits substantial patch complexity: fixes modify 12.5 files and 324.9 lines on average, and 35.7% of instances require coordinated changes across multiple artifact types, such as source and manifest files. Evaluation of four state-of-the-art code-capable LLMs, GPT- 5.2, Claude Sonnet 4.5, Gemini Flash 2.5, and Qwen3-Coder, yields low end-to-end resolution rates of 3.39%-5.21%, revealing significant performance gaps compared to prior benchmarks. Further analysis reveals systematic failure modes, with fault localization across multi-file and multi-artifact changes emerging as the primary bottleneck.
Authors: Jiang Liu, John Martabano Landy, Yao Xuan, Swamy Muddu, Nhat Le, Munaf Sahaf, Luc Kien Hang, Rupinder Khandpour, Kevin De Angeli, Chang Yang, Shouyuan Chen, Shiblee Sadik, Ani Agrawal, Djordje Gligorijevic, Jingzheng Qin, Peggy Yao, Alireza Vahdatpour
Abstract: Modern computational advertising platforms typically rely on recommendation systems to predict user responses, such as click-through rates, conversion rates, and other optimization events. To support a wide variety of product surfaces and advertiser goals, these platforms frequently maintain an extensive ecosystem of machine learning (ML) models. However, operating at this scale creates significant development and efficiency challenges. Substantial engineering effort is required to regularly refresh ML models and propagate new techniques, which results in long latencies when deploying ML innovations across the ecosystem. We present a large-scale empirical study comparing model performance, efficiency, and ML technique propagation between a standardized model-building approach and independent per-model optimization in recommendation systems. To facilitate this standardization, we propose the Standard Model Template (SMT) -- a framework that generates high-performance models adaptable to diverse data distributions and optimization events. By utilizing standardized, composable ML model components, SMT reduces technique propagation complexity from $O(n \cdot 2^k)$ to $O(n + k)$ where $n$ is the number of models and $k$ the number of techniques. Evaluating an extensive suite of models over four global development cycles within Meta's production ads ranking ecosystem, our results demonstrate: (1) a 0.63% average improvement in cross-entropy at neutral serving capacity, (2) a 92% reduction in per-model iteration engineering time, and (3) a $6.3\times$ increase in technique-model pair adoption throughput. These findings challenge the conventional wisdom that diverse optimization goals inherently require diversified ML model design.
Authors: Ruicheng Ao, Jiashuo Jiang, David Simchi-Levi
Abstract: Firms that price perishable resources -- airline seats, hotel rooms, seasonal inventory -- now routinely use demand predictions, but these predictions vary widely in quality. Under hard capacity constraints, acting on an inaccurate prediction can irreversibly deplete inventory needed for future periods. We study how prediction uncertainty propagates into dynamic pricing decisions with linear demand, stochastic noise, and finite capacity. A certified demand forecast with known error bound~$\epsilon^0$ specifies where the system should operate: it shifts regret from $O(\sqrt{T})$ to $O(\log T)$ when $\epsilon^0 \lesssim T^{-1/4}$, and we prove this threshold is tight. A misspecified surrogate model -- biased but correlated with true demand -- cannot set prices directly but reduces learning variance by a factor of $(1-\rho^2)$ through control variates. The two mechanisms compose: the forecast determines the regret regime; the surrogate tightens estimation within it. All algorithms rest on a boundary attraction mechanism that stabilizes pricing near degenerate capacity boundaries without requiring non-degeneracy assumptions. Experiments confirm the phase transition threshold, the variance reduction from surrogates, and robustness across problem instances.
Authors: Peng Wei, Wesley Shu
Abstract: Knowledge distillation, model extraction, and behavior transfer have become central concerns in frontier AI. The main risk is not merely copying, but the possibility that useful capability can be transferred more cheaply than the governance structure that originally accompanied it. This paper presents a public, trade-secret-safe theoretical framework for reducing that asymmetry at the architectural level. The core claim is that distillation becomes less valuable as a shortcut when high-level capability is coupled to internal stability constraints that shape state transitions over time. To formalize this idea, the paper introduces a constraint-coupled reasoning framework with four elements: bounded transition burden, path-load accumulation, dynamically evolving feasible regions, and a capability-stability coupling condition. The paper is intentionally public-safe: it omits proprietary implementation details, training recipes, thresholds, hidden-state instrumentation, deployment procedures, and confidential system design choices. The contribution is therefore theoretical rather than operational. It offers a falsifiable architectural thesis, a clear threat model, and a set of experimentally testable hypotheses for future work on distillation resistance, alignment, and model governance.
Authors: Chenxu Yu, Wenqi Fang
Abstract: As a representative continuous-depth neural network approach, stochastic differential equation (SDE)-based Bayesian neural networks (BNNs) have attracted considerable attention due to their solid theoretical foundations and strong potential for real-world applications. However, their reliance on numerical SDE solvers inevitably incurs a large number of function evaluations (NFEs), resulting in high computational cost and occasional convergence instability. To address these challenges, we propose a Nesterov-accelerated gradient (NAG) enhanced SDE-BNN model. By integrating NAG into the SDE-BNN framework along with an NFE-dependent residual skip connection, our method accelerates convergence and substantially reduces NFEs during both training and testing. Extensive empirical results show that our model consistently outperforms conventional SDE-BNNs across various tasks, including image classification and sequence modeling, achieving lower NFEs and improved predictive accuracy.
Authors: Huyen Ngoc Tran, Dung Trung Tran, Hong Nguyen, Xuan Vu Phan, Nam-Phong Nguyen
Abstract: Precipitation forecasting remains a persistent challenge in tropical regions like Vietnam, where complex topography and convective instability often limit the accuracy of Numerical Weather Prediction (NWP) models. While data-driven post-processing is widely used to mitigate these biases, most existing frameworks rely on point-wise objective functions, which suffer from the ``double penalty'' effect under minor temporal misalignments. In this work, we propose the Matrix Profile-guided Mixture of Experts (MP-MoE), a framework that integrates conventional intensity loss with a structural-aware Matrix Profile objective. By leveraging subsequence-level similarity rather than point-wise errors, the proposed loss facilitates more reliable expert selection and mitigates excessive penalization caused by phase shifts. We evaluate MP-MoE on rainfall datasets from two major river basins in Vietnam across multiple horizons, including 1-hour intensity and accumulated rainfall over 12, 24, and 48 hours. Experimental results demonstrate that MP-MoE outperforms raw NWP and baseline learning methods in terms of Mean Critical Success Index (CSI-M) for heavy rainfall events, while significantly reducing Dynamic Time Warping (DTW) values. These findings highlight the framework's efficacy in capturing peak rainfall intensities and preserving the morphological integrity of storm events.
Authors: Nathaniel Gorski, Shusen Liu, Bei Wang
Abstract: Recent agentic systems demonstrate that large language models can generate scientific visualizations from natural language. However, reliability remains a major limitation: systems may execute invalid operations, introduce subtle but consequential errors, or fail to request missing information when inputs are underspecified. These issues are amplified in real-world workflows, which often exceed the complexity of standard benchmarks. Ensuring reliability in autonomous visualization pipelines therefore remains an open challenge. We present TopoPilot, a reliable and extensible agentic framework for automating complex scientific visualization workflows. TopoPilot incorporates systematic guardrails and verification mechanisms to ensure reliable operation. While we focus on topological data analysis and visualization as a primary use case, the framework is designed to generalize across visualization domains. TopoPilot adopts a reliability-centered two-agent architecture. An orchestrator agent translates user prompts into workflows composed of atomic backend actions, while a verifier agent evaluates these workflows prior to execution, enforcing structural validity and semantic consistency. This separation of interpretation and verification reduces code-generation errors and enforces correctness guarantees. A modular architecture further improves robustness by isolating components and enabling seamless integration of new descriptors and domain-specific workflows without modifying the core system. To systematically address reliability, we introduce a taxonomy of failure modes and implement targeted safeguards for each class. In evaluations simulating 1,000 multi-turn conversations across 100 prompts, including adversarial and infeasible requests, TopoPilot achieves a success rate exceeding 99%, compared to under 50% for baselines without comprehensive guardrails and checks.
Authors: Fumiyasu Makinoshima, Yuya Yamaguchi, Eigo Segawa, Koichiro Niinuma, Sean Qian
Abstract: Traffic digital twins, which inform policymakers of effective interventions based on large-scale, high-fidelity computational models calibrated to real-world traffic, hold promise for addressing societal challenges in our rapidly urbanizing world. However, conventional fine-grained traffic simulations are non-differentiable and typically rely on inefficient gradient-free optimization, making calibration for real-world applications computationally infeasible. Here we present a differentiable agent-based traffic simulator that enables ultra-fast model calibration, traffic nowcasting, and control on large-scale networks. We develop several differentiable computing techniques for simulating individual vehicle movements, including stochastic decision-making and inter-agent interactions, while ensuring that entire simulation trajectories remain end-to-end differentiable for efficient gradient-based optimization. On the large-scale Chicago road network, with over 10,000 calibration parameters, our model simulates more than one million vehicles at 173 times real-time speed. This ultra-fast simulation, together with efficient gradient-based optimization, enables us to complete model calibration using the previous 30 minutes of traffic data in 455 s, provide a one-hour-ahead traffic nowcast in 21 s, and solve the resulting traffic control problem in 728 s. This yields a full calibration--nowcast--control loop in under 20 minutes, leaving about 40 minutes of lead time for implementing interventions. Our work thus provides a practical computational basis for realizing traffic digital twins.
Authors: Yinjian Wang, Wei Li, Yuanyuan Gui, James E. Fowler, Gemine Vivone
Abstract: Robust principal component analysis (RPCA) seeks a low-rank component and a sparse component from their summation. Yet, in many applications of interest, the sparse foreground actually replaces, or occludes, elements from the low-rank background. To address this mismatch, a new framework is proposed in which the sparse component is identified indirectly through determining its support. This approach, called robust principal component completion (RPCC), is solved via variational Bayesian inference applied to a fully probabilistic Bayesian sparse tensor factorization. Convergence to a hard classifier for the support is shown, thereby eliminating the post-hoc thresholding required of most prior RPCA-driven approaches. Experimental results reveal that the proposed approach delivers near-optimal estimates on synthetic data as well as robust foreground-extraction and anomaly-detection performance on real color video and hyperspectral datasets, respectively. Source implementation and Appendices are available at https://github.com/WongYinJ/BCP-RPCC.
Authors: Josep Lumbreras, Ruo Cheng Huang, Yanglin Hu, Marco Fanizza, Mile Gu
Abstract: In reinforcement learning, an agent interacts sequentially with an environment to maximize a reward, receiving only partial, probabilistic feedback. This creates a fundamental exploration-exploitation trade-off: the agent must explore to learn the hidden dynamics while exploiting this knowledge to maximize its target objective. While extensively studied classically, applying this framework to quantum systems requires dealing with hidden quantum states that evolve via unknown dynamics. We formalize this problem via a framework where the environment maintains a hidden quantum memory evolving via unknown quantum channels, and the agent intervenes sequentially using quantum instruments. For this setting, we adapt an optimistic maximum-likelihood estimation algorithm. We extend the analysis to continuous action spaces, allowing us to model general positive operator-valued measures (POVMs). By controlling the propagation of estimation errors through quantum channels and instruments, we prove that the cumulative regret of our strategy scales as $\widetilde{\mathcal{O}}(\sqrt{K})$ over $K$ episodes. Furthermore, via a reduction to the multi-armed quantum bandit problem, we establish information-theoretic lower bounds demonstrating that this sublinear scaling is strictly optimal up to polylogarithmic factors. As a physical application, we consider state-agnostic work extraction. When extracting free energy from a sequence of non-i.i.d. quantum states correlated by a hidden memory, any lack of knowledge about the source leads to thermodynamic dissipation. In our setting, the mathematical regret exactly quantifies this cumulative dissipation. Using our adaptive algorithm, the agent uses past energy outcomes to improve its extraction protocol on the fly, achieving sublinear cumulative dissipation, and, consequently, an asymptotically zero dissipation rate.
Authors: Sahibzada Adil Shahzad, Ammarah Hashmi, Junichi Yamagishi, Yusuke Yasuda, Yu Tsao, Chia-Wen Lin, Yan-Tsung Peng, Hsin-Min Wang
Abstract: Multimodal deepfakes can exhibit subtle visual artifacts and cross-modal inconsistencies, which remain challenging to detect, especially when detectors are trained primarily on curated synthetic forgeries. Such synthetic dependence can introduce dataset and generator bias, limiting scalability and robustness to unseen manipulations. We propose SAVe, a self-supervised audio-visual deepfake detection framework that learns entirely on authentic videos. SAVe generates on-the-fly, identity-preserving, region-aware self-blended pseudo-manipulations to emulate tampering artifacts, enabling the model to learn complementary visual cues across multiple facial granularities. To capture cross-modal evidence, SAVe also models lip-speech synchronization via an audio-visual alignment component that detects temporal misalignment patterns characteristic of audio-visual forgeries. Experiments on FakeAVCeleb and AV-LipSync-TIMIT demonstrate competitive in-domain performance and strong cross-dataset generalization, highlighting self-supervised learning as a scalable paradigm for multimodal deepfake detection.
Authors: Ansel Blume, Burak Uzkent, Shalini Chaudhuri, Garin Kessler
Abstract: Direct preference optimization (DPO) is an effective technique to train language models to generate preferred over dispreferred responses. However, this binary "winner-takes-all" approach is suboptimal for vision-language models whose response quality is highly dependent on visual content. In particular, a response may still be faithful to the visual inputs even if it is less preferable than an alternative. The standard Bradley-Terry DPO formulation lacks this nuance, upweighting winning responses without sufficient regard for whether the "losing" response still maintains high visual fidelity. In this work, we investigate ranking optimization as an alternative that more precisely situates responses' faithfulness to visual inputs. We focus on video-text alignment using detailed video captions, proposing a method to generate challenging, totally ordered caption chains at scale through repeated caption degradation. Our results show ranking optimization outperforms binary DPO for long-form content generation and assessment, and importantly, we find that these approaches require finetuning of the vision encoder to be effective, challenging the view of DPO as purely a language-reweighting process.
Authors: Jeremy H. M. Wong, Nancy F. Chen
Abstract: In speech evaluation, an Automatic Speech Recognition (ASR) model often computes time boundaries and phoneme posteriors for input features. However, limited data for ASR training hinders expansion of speech evaluation to low-resource languages. Open-source weakly-supervised models are capable of ASR over many languages, but they are frame-asynchronous and not phonemic, hindering feature extraction for speech evaluation. This paper proposes to overcome incompatibilities for feature extraction with weakly-supervised models, easing expansion of speech evaluation to low-resource languages. Phoneme posteriors are computed by mapping ASR hypotheses to a phoneme confusion network. Word instead of phoneme-level speaking rate and duration are used. Phoneme and frame-level features are combined using a cross-attention architecture, obviating phoneme time alignment. This performs comparably with standard frame-synchronous features on English speechocean762 and low-resource Tamil datasets.
Authors: Danlu Chen, Ka Sing He, Jiahe Tian, Chenghao Xiao, Zhaofeng Wu, Taylor Berg-Kirkpatrick, Freda Shi
Abstract: The landscape of extremely low-resource machine translation (MT) is characterized by perplexing variability in reported performance, often making results across different language pairs difficult to contextualize. For researchers focused on specific language groups -- such as ancient languages -- it is nearly impossible to determine if breakthroughs reported in other contexts (e.g., native African or American languages) result from superior methodologies or are merely artifacts of benchmark collection. To address this problem, we introduce the FRED Difficulty Metrics, which include the Fertility Ratio (F), Retrieval Proxy (R), Pre-training Exposure (E), and Corpus Diversity (D) and serve as dataset-intrinsic metrics to contextualize reported scores. These metrics reveal that a significant portion of result variability is explained by train-test overlap and pre-training exposure rather than model capability. Additionally, we identify that some languages -- particularly extinct and non-Latin indigenous languages -- suffer from poor tokenization coverage (high token fertility), highlighting a fundamental limitation of transferring models from high-resource languages that lack a shared vocabulary. By providing these indices alongside performance scores, we enable more transparent evaluation of cross-lingual transfer and provide a more reliable foundation for the XLR MT community.
Authors: Arthur Charpentier (UQAM), Christophe Denis (SAMM), Romuald Elie (LAMA), Mohamed Hebiri (LAMA), Fran\c{c}ois HU (UdeM)
Abstract: Demographic parity (DP) is a widely used group fairness criterion requiring predictive distributions to be invariant across sensitive groups. While natural in classification, full distributional DP is often overly restrictive in regression and can lead to substantial accuracy loss. We propose a relaxation of DP tailored to regression, enforcing parity only at a finite set of quantile levels and/or score thresholds. Concretely, we introduce a novel (${\ell}$, Z)-fair predictor, which imposes groupwise CDF constraints of the form F f |S=s (z m ) = ${\ell}$ m for prescribed pairs (${\ell}$ m , z m ). For this setting, we derive closed-form characterizations of the optimal fair discretized predictor via a Lagrangian dual formulation and quantify the discretization cost, showing that the risk gap to the continuous optimum vanishes as the grid is refined. We further develop a model-agnostic post-processing algorithm based on two samples (labeled for learning a base regressor and unlabeled for calibration), and establish finite-sample guarantees on constraint violation and excess penalized risk. In addition, we introduce two alternative frameworks where we match group and marginal CDF values at selected score thresholds. In both settings, we provide closed-form solutions for the optimal fair discretized predictor. Experiments on synthetic and real datasets illustrate an interpretable fairness-accuracy trade-off, enabling targeted corrections at decision-relevant quantiles or thresholds while preserving predictive performance.
Authors: Sazzad Hossain, Saiful Islam, Muhammad Ibrahim, Md. Rasel Ahmed, Md Shuayb, Ahmedul Kabir
Abstract: Skin diseases are a major public health concern worldwide, and their detection is often challenging without access to dermatological expertise. In countries like Bangladesh, which is highly populated, the number of qualified skin specialists and diagnostic instruments is insufficient to meet the demand. Due to the lack of proper detection and treatment of skin diseases, that may lead to severe health consequences including death. Common properties of skin diseases are, changing the color, texture, and pattern of skin and in this era of artificial intelligence and machine learning, we are able to detect skin diseases by using image processing and computer vision techniques. In response to this challenge, we develop a publicly available dataset focused on common skin disease detection using machine learning techniques. We focus on five prevalent skin diseases in Bangladesh: Contact Dermatitis, Vitiligo, Eczema, Scabies, and Tinea Ringworm. The dataset consists of 1612 images (of which, 250 are distinct while others are augmented), collected directly from patients at the outpatient department of Faridpur Medical College, Faridpur, Bangladesh. The data comprises of 302, 381, 301, 316, and 312 images of Dermatitis, Eczema, Scabies, Tinea Ringworm, and Vitiligo, respectively. Although the data are collected regionally, the selected diseases are common across many countries especially in South Asia, making the dataset potentially valuable for global applications in machine learning-based dermatology. We also apply several machine learning and deep learning models on the dataset and report classification performance. We expect that this research would garner attention from machine learning and deep learning researchers and practitioners working in the field of automated disease diagnosis.
Authors: Yabin Zhang, Maya Varma, Yunhe Gao, Jean-Benoit Delbrouck, Jiaming Liu, Chong Wang, Curtis Langlotz
Abstract: Out-of-distribution (OOD) detection aims to identify samples that deviate from in-distribution (ID). One popular pipeline addresses this by introducing negative labels distant from ID classes and detecting OOD based on their distance to these labels. However, such labels may present poor activation on OOD samples, failing to capture the OOD characteristics. To address this, we propose \underline{T}est-time \underline{A}ctivated \underline{N}egative \underline{L}abels (TANL) by dynamically evaluating activation levels across the corpus dataset and mining candidate labels with high activation responses during the testing process. Specifically, TANL identifies high-confidence test images online and accumulates their assignment probabilities over the corpus to construct a label activation metric. Such a metric leverages historical test samples to adaptively align with the test distribution, enabling the selection of distribution-adaptive activated negative labels. By further exploring the activation information within the current testing batch, we introduce a more fine-grained, batch-adaptive variant. To fully utilize label activation knowledge, we propose an activation-aware score function that emphasizes negative labels with stronger activations, boosting performance and enhancing its robustness to the label number. Our TANL is training-free, test-efficient, and grounded in theoretical justification. Experiments on diverse backbones and wide task settings validate its effectiveness. Notably, on the large-scale ImageNet benchmark, TANL significantly reduces the FPR95 from 17.5\% to 9.8\%. Codes are available at \href{https://github.com/YBZh/OpenOOD-VLM}{YBZh/OpenOOD-VLM}.
Authors: Gregor Baer, Chao Zhang, Isel Grau, Pieter Van Gorp
Abstract: Explainable AI (XAI) methods are commonly evaluated with functional metrics such as correctness, which computationally estimate how accurately an explanation reflects the model's reasoning. Higher correctness is assumed to produce better human understanding, but this link has not been tested experimentally with controlled levels. We conducted a user study (N=200) that manipulated explanation correctness at four levels (100%, 85%, 70%, 55%) in a time series classification task where participants could not rely on domain knowledge or visual intuition and instead predicted the AI's decisions based on explanations (forward simulation). Correctness affected understanding, but not at every level: performance dropped at 70% and 55% correctness relative to fully correct explanations, while further degradation below 70% produced no additional loss. Rather than shifting performance uniformly, lower correctness decreased the proportion of participants who learned the decision pattern. At the same time, even fully correct explanations did not guarantee understanding, as only a subset of participants achieved high accuracy. Exploratory analyses showed that self-reported ratings correlated with demonstrated performance only when explanations were fully correct and participants had learned the pattern. These findings show that not all differences in functional correctness translate to differences in human understanding, underscoring the need to validate functional metrics against human outcomes.
Authors: Md Awsafur Rahman, Chandrakanth Gudavalli, Hardik Prajapati, B. S. Manjunath
Abstract: Trajectory anomaly detection underpins applications from fraud detection to urban mobility analysis. Dense GPS methods preserve fine-grained evidence such as abnormal speeds and short-duration events, but their quadratic cost makes multi-month analysis intractable; consequently, no existing approach detects anomalies over multi-month dense GPS trajectories. The field instead relies on scalable sparse stay-point methods that discard this evidence, forcing separate architectures for each regime and preventing knowledge transfer. We argue this bottleneck is unnecessary: human trajectories, dense or sparse, share a natural two-dimensional cyclic structure along within-day and across-day axes. We therefore propose TITAnD (Trajectory Image Transformer for Anomaly Detection), which reformulates trajectory anomaly detection as a vision problem by representing trajectories as a Hyperspectral Trajectory Image (HTI): a day x time-of-day grid whose channels encode spatial, semantic, temporal, and kinematic information from either modality, unifying both under a single representation. Under this formulation, agent-level detection reduces to image classification and temporal localization to semantic segmentation. To model this representation, we introduce the Cyclic Factorized Transformer (CFT), which factorizes attention along the two temporal axes, encoding the cyclic inductive bias of human routines, while reducing attention cost by orders of magnitude and enabling dense multi-month anomaly detection for the first time. Empirically, TITAnD achieves the best AUC-PR across sparse and dense benchmarks, surpassing vision models like UNet while being 11-75x faster than the Transformer with comparable memory, demonstrating that vision reformulation and structure-aware modeling are jointly essential. Code will be made public soon.
Authors: Younes Salmi, Hanna Bogucka
Abstract: This paper investigates the susceptibility to model integrity attacks that overload virtual machines assigned by the k-means algorithm used for resource provisioning in fog networks. The considered k-means algorithm runs two phases iteratively: offline clustering to form clusters of requested workload and online classification of new incoming requests into offline-created clusters. First, we consider an evasion attack against the classifier in the online phase. A threat actor launches an exploratory attack using query-based reverse engineering to discover the Machine Learning (ML) model (the clustering scheme). Then, a passive causative (evasion) attack is triggered in the offline phase. To defend the model, we suggest a proactive method using adversarial training to introduce attack robustness into the classifier. Our results show that our mitigation technique effectively maintains the stability of the resource provisioning system against attacks.
Authors: Chenjie Xie, Li You, Ruirong Chen, Gaoning He, Xiqi Gao
Abstract: Low-altitude communications can promote the integration of aerial and terrestrial wireless resources, expand network coverage, and enhance transmission quality, thereby empowering the development of sixth-generation (6G) mobile communications. As an enabler for low-altitude transmission, 3D channel fingerprints (3D-CF), also referred to as the 3D radio map or 3D channel knowledge map, are expected to enhance the understanding of communication environments and assist in the acquisition of channel state information (CSI), thereby avoiding repeated estimations and reducing computational complexity. In this paper, we propose a modularized multimodal framework to construct 3D-CF. Specifically, we first establish the 3D-CF model as a collection of CSI-tuples based on Rician fading channels, with each tuple comprising the low-altitude vehicle's (LAV) positions and its corresponding statistical CSI. In consideration of the heterogeneous structures of different prior data, we formulate the 3D-CF construction problem as a multimodal regression task, where the target channel information in the CSI-tuple can be estimated directly by its corresponding LAV positions, together with communication measurements and geographic environment maps. Then, a high-efficiency multimodal framework is proposed accordingly, which includes a correlation-based multimodal fusion (Corr-MMF) module, a multimodal representation (MMR) module, and a CSI regression (CSI-R) module. Numerical results show that our proposed framework can efficiently construct 3D-CF and achieve at least 27.5% higher accuracy than the state-of-the-art algorithms under different communication scenarios, demonstrating its competitive performance and excellent generalization ability. We also analyze the computational complexity and illustrate its superiority in terms of the inference time.
Authors: Jingyi Wang, Haowei Wang, Nai-Yuan Chiang, Juliane Mueller, Tucker Hartland, Cosmin G. Petra
Abstract: Efficient global optimization (EGO) is one of the most widely used noise-free Bayesian optimization algorithms.It comprises the Gaussian process (GP) surrogate model and expected improvement (EI) acquisition function. In practice, when EGO is applied, a scalar matrix of a small positive value (also called a nugget or jitter) is usually added to the covariance matrix of the deterministic GP to improve numerical stability. We refer to this EGO with a positive nugget as the practical EGO. Despite its wide adoption and empirical success, to date, cumulative regret bounds for practical EGO have yet to be established. In this paper, we present for the first time the cumulative regret upper bound of practical EGO. In particular, we show that practical EGO has sublinear cumulative regret bounds and thus is a no-regret algorithm for commonly used kernels including the squared exponential (SE) and Mat\'{e}rn kernels ($\nu>\frac{1}{2}$). Moreover, we analyze the effect of the nugget on the regret bound and discuss the theoretical implication on its choice. Numerical experiments are conducted to support and validate our findings.
Authors: Paul Shepherd, Tasos Dagiuklas, Bugra Alkan, Jonathan Rodriguez
Abstract: Distributed intelligence in industrial networks increasingly integrates sensing, communication, and computation across heterogeneous and resource constrained devices. Federated learning (FL) enables collaborative model training in such environments, but its reliability is affected by inconsistent client behaviour, noisy sensing conditions, and the presence of faulty or adversarial updates. Trust based mechanisms are commonly used to mitigate these effects, yet most remain statistical and heuristic, relying on fixed parameters or simple adaptive rules that struggle to accommodate changing operating conditions. This paper presents a lightweight agentic trust coordination approach for FL in sustainable and resilient industrial networks. The proposed Agentic Trust Control Layer operates as a server side control loop that observes trust related and system level signals, interprets their evolution over time, and applies targeted trust adjustments when instability is detected. The approach extends prior adaptive trust mechanisms by enabling context aware intervention decisions, rather than relying on fixed or purely reactive parameter updates. By explicitly separating observation, reasoning, and action, the proposed framework supports stable FL operation without modifying client side training or increasing communication overhead.
Authors: Tianlin Yang, Hailiang Du, Louis Aslett
Abstract: Probabilistic forecasting provides a principled framework for uncertainty quantification in dynamical systems by representing predictions as probability distributions rather than deterministic trajectories. However, existing forecasting approaches, whether physics-based or neural-network-based, remain fundamentally trajectory-oriented: predictive distributions are usually accessed through ensembles or sampling, rather than evolved directly as dynamical objects. A distribution-to-distribution (D2D) neural probabilistic forecasting framework is developed to operate directly on predictive distributions. The framework introduces a distributional encoding and decoding structure around a replaceable neural forecasting module, using kernel mean embeddings to represent input distributions and mixture density networks to parameterise output predictive distributions. This design enables recursive propagation of predictive uncertainty within a unified end-to-end neural architecture, with model training and evaluation carried out directly in terms of probabilistic forecast skill. The framework is demonstrated on the Lorenz63 chaotic dynamical system. Results show that the D2D model captures nontrivial distributional evolution under nonlinear dynamics, produces skillful probabilistic forecasts without explicit ensemble simulation, and remains competitive with, and in some cases outperforms, a simplified perfect model benchmark. These findings point to a new paradigm for probabilistic forecasting, in which predictive distributions are learned and evolved directly rather than reconstructed indirectly through ensemble-based uncertainty propagation.
Authors: Dimitris Stripelis, Patrick Foley, Mohammad Naseri, William Lindskog-M\"unzing, Chong Shen Ng, Daniel Janes Beutel, Nicholas D. Lane
Abstract: RAG typically assumes centralized access to documents, which breaks down when knowledge is distributed across private data silos. We propose a secure Federated RAG system built using Flower that performs local silo retrieval, while server-side aggregation and text generation run inside an attested, confidential compute environment, enabling confidential remote LLM inference even in the presence of honest-but-curious or compromised servers. We also propose a cascading inference approach that incorporates a non-confidential third-party model (e.g., Amazon Nova) as auxiliary context without weakening confidentiality.
Authors: P. Bern\'at Szab\'o, Zeno Sch\"atzle, Frank No\'e
Abstract: A faithful description of chemical processes requires exploring extended regions of the molecular potential energy surface (PES), which remains challenging for strongly correlated systems. Transferable deep-learning variational Monte Carlo (VMC) offers a promising route by efficiently solving the electronic Schr\"odinger equation jointly across molecular geometries at consistently high accuracy, yet its stochastic nature renders direct exploration of molecular configuration space nontrivial. Here, we present a framework for highly accurate ab initio exploration of PESs that combines transferable deep-learning VMC with a cost-effective estimation of energies, forces, and Hessians. By continuously sampling nuclear configurations during VMC optimization of electronic wave functions, we obtain transferable descriptions that achieve zero-shot chemical accuracy within chemically relevant distributions of molecular geometries. Throughout the subsequent characterization of molecular configuration space, the PES is evaluated only sparsely, with local approximations constructed by estimating VMC energies and forces at sampled geometries and aggregating the resulting noisy data using Gaussian process regression. Our method enables accurate and efficient exploration of complex PES landscapes, including structure relaxation, transition-state searches, and minimum-energy pathways, for both ground and excited states. This opens the door to studying bond breaking, formation, and large structural rearrangements in systems with pronounced multi-reference character.
Authors: Sagar Nagaraj Simha, Juliette Ortholand, Dave Dongelmans, Jessica D. Workum, Olivier W. M. Thijssens, Ameen Abu-Hanna, Giovanni Cin\`a
Abstract: In this applied paper, we address the difficult open problem of when to discharge patients from the Intensive Care Unit. This can be conceived as an optimal stopping scenario with three added challenges: 1) the evaluation of a stopping strategy from observational data is itself a complex causal inference problem, 2) the composite objective is to minimize the length of intervention and maximize the outcome, but the two cannot be collapsed to a single dimension, and 3) the recording of variables stops when the intervention is discontinued. Our contributions are two-fold. First, we generalize the implementation of the g-formula Python package, providing a framework to evaluate stopping strategies for problems with the aforementioned structure, including positivity and coverage checks. Second, with a fully open-source pipeline, we apply this approach to MIMIC-IV, a public ICU dataset, demonstrating the potential for strategies that improve upon current care.
Authors: Eyal Hadad, Mordechai Guri
Abstract: On-device Vision-Language Models (VLMs) promise data privacy via local execution. However, we show that the architectural shift toward Dynamic High-Resolution preprocessing (e.g., AnyRes) introduces an inherent algorithmic side-channel. Unlike static models, dynamic preprocessing decomposes images into a variable number of patches based on their aspect ratio, creating workload-dependent inputs. We demonstrate a dual-layer attack framework against local VLMs. In Tier 1, an unprivileged attacker can exploit significant execution-time variations using standard unprivileged OS metrics to reliably fingerprint the input's geometry. In Tier 2, by profiling Last-Level Cache (LLC) contention, the attacker can resolve semantic ambiguity within identical geometries, distinguishing between visually dense (e.g., medical X-rays) and sparse (e.g., text documents) content. By evaluating state-of-the-art models such as LLaVA-NeXT and Qwen2-VL, we show that combining these signals enables reliable inference of privacy-sensitive contexts. Finally, we analyze the security engineering trade-offs of mitigating this vulnerability, reveal substantial performance overhead with constant-work padding, and propose practical design recommendations for secure Edge AI deployments.
Authors: Houston Haynes
Abstract: A prevailing assumption in machine learning is that model correctness must be enforced after the fact. We observe that the properties determining whether an AI model is numerically stable, computationally correct, or consistent with a physical domain do not necessarily demand post hoc enforcement. They can be verified at design time, before training begins, at marginal computational cost, with particular relevance to models deployed in high-leverage decision support and scientifically constrained settings. These properties share a specific algebraic structure: they are expressible as constraints over finitely generated abelian groups $\mathbb{Z}^n$, where inference is decidable in polynomial time and the principal type is unique. A framework built on this observation composes three prior results (arXiv:2603.16437, arXiv:2603.17627, arXiv:2603.18104): a dimensional type system carrying arbitrary annotations as persistent codata through model elaboration; a program hypergraph that infers Clifford algebra grade and derives geometric product sparsity from type signatures alone; and an adaptive domain model architecture preserving both invariants through training via forward-mode coeffect analysis and exact posit accumulation. We believe this composition yields a novel information-theoretic result: Hindley-Milner unification over abelian groups computes the maximum a posteriori hypothesis under a computable restriction of Solomonoff's universal prior, placing the framework's type inference on the same formal ground as universal induction. We compare four contemporary approaches to AI reliability and show that each imposes overhead that can compound across deployments, layers, and inference requests. This framework eliminates that overhead by construction.
Authors: Giovanni Catania, Aur\'elien Decelle, Suhanee Korpe
Abstract: We introduce and solve a teacher-student formulation of the symmetric binary Perceptron, turning a traditionally storage-oriented model into a planted inference problem with a guaranteed solution at any sample density. We adapt the formulation of the symmetric Perceptron which traditionally considers either the u-shaped potential or the rectangular one, by including labels in both regions. With this formulation, we analyze both the Bayes-optimal regime at for noise-less examples and the effect of thermal noise under two different potential/classification rules. Using annealed and quenched free-entropy calculations in the high-dimensional limit, we map the phase diagram in the three control parameters, namely the sample density $\alpha$, the distance between the origin and one of the symmetric hyperplanes $\kappa$ and temperature $T$, and identify a robust scenario where learning is organized by a second-order instability that creates teacher-correlated suboptimal states, followed by a first-order transition to full alignment. We show how this structure depends on the choice of potential, the interplay between metastability of the suboptimal solution and its melting towards the planted configuration, which is relevant for Monte Carlo-based optimization algorithms.
Authors: Kakei Yamamoto, Martin J. Wainwright
Abstract: We study statistical estimation in a student--teacher setting, where predictions from a pre-trained teacher are used to guide a student model. A standard approach is to train the student to directly match the teacher's outputs, which we refer to as student soft matching (SM). This approach directly propagates any systematic bias or mis-specification present in the teacher, thereby degrading the student's predictions. We propose and analyze an alternative scheme, known as residual-as-teacher (RaT), in which the teacher is used to estimate residuals in the student's predictions. Our analysis shows how the student can thereby emulate a proximal gradient scheme for solving an oracle optimization problem, and this provably reduces the effect of teacher bias. For general student--teacher pairs, we establish non-asymptotic excess risk bounds for any RaT fixed point, along with convergence guarantees for the student-teacher iterative scheme. For kernel-based student--teacher pairs, we prove a sharp separation: the RaT method achieves the minimax-optimal rate, while the SM method incurs constant prediction error for any sample size. Experiments on both synthetic data and ImageNette classification under covariate shift corroborate our theoretical findings.
Authors: Jakob Paul Zimmermann, Gerrit Holzbach, David Lerch
Abstract: Object detectors deployed in safety-critical environments can fail silently, e.g. missing pedestrians, workers, or other safety-critical objects without emitting any warning. Traditional Out Of Distribution (OOD) detection methods focus on identifying unfamiliar inputs, but do not directly predict functional failures of the detector itself. We introduce Knowledge Guided Failure Prediction (KGFP), a representation-based monitoring framework that treats missed safety-critical detections as anomalies to be detected at runtime. KGFP measures semantic misalignment between internal object detector features and visual foundation model embeddings using a dual-encoder architecture with an angular distance metric. A key property is that when either the detector is operating outside its competence or the visual foundation model itself encounters novel inputs, the two embeddings diverge, producing a high-angle signal that reliably flags unsafe images. We compare our novel KGFS method to baseline OOD detection methods. On COCO person detection, applying KGFP as a selective-prediction gate raises person recall among accepted images from 64.3% to 84.5% at 5% False Positive Rate (FPR), and maintains strong performance across six COCO-O visual domains, outperforming OOD baselines by large margins. Our code, models, and features are published at https://gitlab.cc-asp.fraunhofer.de/iosb_public/KGFP.
Authors: Giampaolo Bovenzi, Domenico Ciuonzo, Jonatan Krolikowski, Antonio Montieri, Alfredo Nascita, Antonio Pescap\`e, Dario Rossi
Abstract: Accurate Network Traffic Classification (NTC) is increasingly constrained by limited labeled data and strict privacy requirements. While Network Traffic Generation (NTG) provides an effective means to mitigate data scarcity, conventional generative methods struggle to model the complex temporal dynamics of modern traffic or/and often incur significant computational cost. In this article, we address the NTG task using lightweight Generative Artificial Intelligence (GenAI) architectures, including transformer-based, state-space, and diffusion models designed for practical deployment. We conduct a systematic evaluation along four axes: (i) (synthetic) traffic fidelity, (ii) synthetic-only training, (iii) data augmentation under low-data regimes, and (iv) computational efficiency. Experiments on two heterogeneous datasets show that lightweight GenAI models preserve both static and temporal traffic characteristics, with transformer and state-space models closely matching real distributions across a complete set of fidelity metrics. Classifiers trained solely on synthetic traffic achieve up to 87% F1-score on real data. In low-data settings, GenAI-driven augmentation improves NTC performance by up to +40%, substantially reducing the gap with full-data training. Overall, transformer-based models provide the best trade-off between fidelity and efficiency, enabling high-quality, privacy-aware traffic synthesis with modest computational overhead.
Authors: Masahiro Kato
Abstract: We propose a method for constructing distribution-free prediction intervals in nonparametric instrumental variable regression (NPIV), with finite-sample coverage guarantees. Building on the conditional guarantee framework in conformal inference, we reformulate conditional coverage as marginal coverage over a class of IV shifts $\mathcal{F}$. Our method can be combined with any NPIV estimator, including sieve 2SLS and other machine-learning-based NPIV methods such as neural networks minimax approaches. Our theoretical analysis establishes distribution-free, finite-sample coverage over a practitioner-chosen class of IV shifts.
Authors: Koldo Basterretxea, Jon Guti\'errez-Zaballa, Javier Echanobe
Abstract: The use of hyperspectral imaging (HSI) in autonomous driving (AD), while promising, faces many challenges related to the specifics and requirements of this application domain. On the one hand, non-controlled and variable lighting conditions, the wide depth-of-field ranges, and dynamic scenes with fast-moving objects. On the other hand, the requirements for real-time operation and the limited computational resources of embedded platforms. The combination of these factors determines both the criteria for selecting appropriate HSI technologies and the development of custom vision algorithms that leverage the spectral and spatial information obtained from the sensors. In this article, we analyse several techniques explored in the research of HSI-based vision systems with application to AD, using as an example results obtained from experiments using data from the most recent version of the HSI-Drive dataset.
Authors: In\^es Valentim, Nuno Antunes, Nuno Louren\c{c}o
Abstract: Neuroevolution automates the complex task of neural network design but often ignores the inherent adversarial fragility of evolved models which is a barrier to adoption in safety-critical scenarios. While robust training methods have received significant attention, the design of architectures exhibiting intrinsic robustness remains largely unexplored. In this paper, we propose NERO-Net, a neuroevolutionary approach to design convolutional neural networks better equipped to resist adversarial attacks. Our search strategy isolates architectural influence on robustness by avoiding adversarial training during the evolutionary loop. As such, our fitness function promotes candidates that, even trained with standard (non-robust) methods, achieve high post-attack accuracy without sacrificing the accuracy on clean samples. We assess NERO-Net on CIFAR-10 with a specific focus on $L_\infty$-robustness. In particular, the fittest individual emerged from evolutionary search with 33% accuracy against FGSM, used as an efficient estimator for robustness during the search phase, while maintaining 87% clean accuracy. Further standard training of this individual boosted these metrics to 47% adversarial and 93% clean accuracy, suggesting inherent architectural robustness. Adversarial training brings the overall accuracy of the model up to 40% against AutoAttack.
Authors: David Brunner, Marie Bordes, Elisabeth Mayrhuber, Stephan M. Winkler, Viktoria Dorfer, Maciej Oczak
Abstract: To date, there is little research on how to design back marks to best support individual-level monitoring of uniform looking species like pigs. With the recent surge of machine learning-based monitoring solutions, there is a particular need for guidelines on the design of marks that can be effectively recognised by such algorithms. This study provides valuable insights on effective back mark design, based on the analysis of a machine learning model, trained to distinguish pigs via their back marks. Specifically, a neural network of type ResNet-50 was trained to classify ten pigs with unique back marks. The analysis of the model's predictions highlights the significance of certain design choices, even in controlled settings. Most importantly, the set of back marks must be designed such that each mark remains unambiguous under conditions of motion blur, diverse view angles and occlusions, caused by animal behaviour. Further, the back mark design must consider data augmentation strategies commonly employed during model training, like colour, flip and crop augmentations. The generated insights can support individual-level monitoring in future studies and real-world applications by optimizing back mark design.
Authors: Martin Mark Zan, Stefan Schwarz
Abstract: The deployment of reconfigurable intelligent surfaces (RISs) introduces new challenges for resource allocation in multi-cell wireless networks, particularly when user loads are uneven across base stations. In this work, we consider RISs as shared infrastructure that must be dynamically assigned among competing base stations, and we address this problem using a simultaneous ascending auction mechanism. To mitigate performance imbalances between cells, we propose a fairness-aware collaborative multi-agent reinforcement learning approach in which base stations adapt their bidding strategies based on both expected utility gains and relative service quality. A centrally computed performance-dependent fairness indicator is incorporated into the agents' observations, enabling implicit coordination without direct inter-base-station communication. Simulation results show that the proposed framework effectively redistributes RIS resources toward weaker-performing cells, substantially improving the rates of the worst-served users while preserving overall throughput. The results demonstrate that fairness-oriented RIS allocation can be achieved through cooperative learning, providing a flexible tool for balancing efficiency and equity in future wireless networks.
Authors: Sk Miraj Ahmed, Xi Yu, Yunqi Li, Yuewei Lin, Wei Xu
Abstract: Accurate biodiversity identification from large-scale field data is a foundational problem with direct impact on ecology, conservation, and environmental monitoring. In practice, the core task is taxonomic prediction - inferring order, family, genus, or species from imperfect inputs such as specimen images, DNA barcodes, or both. Existing multimodal methods often treat taxonomy as a flat label space and therefore fail to encode the hierarchical structure of biological classification, which is critical for robustness under noise and missing modalities. We present two end-to-end variants for hierarchy-aware multimodal learning: CLiBD-HiR, which introduces Hierarchical Information Regularization (HiR) to shape embedding geometry across taxonomic levels, yielding structured and noise-robust representations; and CLiBD-HiR-Fuse, which additionally trains a lightweight fusion predictor that supports image-only, DNA-only, or joint inference and is resilient to modality corruption. Across large-scale biodiversity benchmarks, our approach improves taxonomic classification accuracy by over 14 percent compared to strong multimodal baselines, with particularly large gains under partial and corrupted DNA conditions. These results highlight that explicitly encoding biological hierarchy, together with flexible fusion, is key for practical biodiversity foundation models.
Authors: Gabriele Farn\'e, Fabrizio Boncoraglio, Lenka Zdeborov\'a
Abstract: A key capability of modern neural networks is their capacity to simultaneously learn underlying rules and memorize specific facts or exceptions. Yet, theoretical understanding of this dual capability remains limited. We introduce the Rules-and-Facts (RAF) model, a minimal solvable setting that enables precise characterization of this phenomenon by bridging two classical lines of work in the statistical physics of learning: the teacher-student framework for generalization and Gardner-style capacity analysis for memorization. In the RAF model, a fraction $1 - \varepsilon$ of training labels is generated by a structured teacher rule, while a fraction $\varepsilon$ consists of unstructured facts with random labels. We characterize when the learner can simultaneously recover the underlying rule - allowing generalization to new data - and memorize the unstructured examples. Our results quantify how overparameterization enables the simultaneous realization of these two objectives: sufficient excess capacity supports memorization, while regularization and the choice of kernel or nonlinearity control the allocation of capacity between rule learning and memorization. The RAF model provides a theoretical foundation for understanding how modern neural networks can infer structure while storing rare or non-compressible information.
Authors: Santosh S. Vempala, Andre Wibisono
Abstract: We present an efficient algorithm for uniformly sampling from an arbitrary compact body $\mathcal{X} \subset \mathbb{R}^n$ from a warm start under isoperimetry and a natural volume growth condition. Our result provides a substantial common generalization of known results for convex bodies and star-shaped bodies. The complexity of the algorithm is polynomial in the dimension, the Poincar\'e constant of the uniform distribution on $\mathcal{X}$ and the volume growth constant of the set $\mathcal{X}$.
Authors: Andr\'e G. Viveiros, Nuno Gon\c{c}alves, Matthias Lindemann, Andr\'e Martins
Abstract: While language reasoning models excel in many tasks, visual reasoning remains challenging for current large multimodal models (LMMs). As a result, most LMMs default to verbalizing perceptual content into text, a strong limitation for tasks requiring fine-grained spatial and visual understanding. While recent approaches take steps toward thinking with images by invoking tools or generating intermediate images, they either rely on external modules, or incur unnecessary computation by reasoning directly in pixel space. In this paper, we introduce LanteRn, a framework that enables LMMs to interleave language with compact latent visual representations, allowing visual reasoning to occur directly in latent space. LanteRn augments a vision-language transformer with the ability to generate and attend to continuous visual thought embeddings during inference. We train the model in two stages: supervised fine-tuning to ground visual features in latent states, followed by reinforcement learning to align latent reasoning with task-level utility. We evaluate LanteRn on three perception-centric benchmarks (VisCoT, V*, and Blink), observing consistent improvements in visual grounding and fine-grained reasoning. These results suggest that internal latent representations provide a promising direction for more efficient multimodal reasoning.
Authors: Mingmeng Geng, Yuhang Dong, Thierry Poibeau
Abstract: Through an analysis of arXiv papers, we report several shifts in word usage that are likely driven by large language models (LLMs) but have not previously received sufficient attention, such as the increased frequency of "beyond" and "via" in titles and the decreased frequency of "the" and "of" in abstracts. Due to the similarities among different LLMs, experiments show that current classifiers struggle to accurately determine which specific model generated a given text in multi-class classification tasks. Meanwhile, variations across LLMs also result in evolving patterns of word usage in academic papers. By adopting a direct and highly interpretable linear approach and accounting for differences between models and prompts, we quantitatively assess these effects and show that real-world LLM usage is heterogeneous and dynamic.
Authors: Abhishek Bhandwaldar, Mihir Choudhury, Ruchir Puri, Akash Srivastava
Abstract: We present an empirical study of how far general-purpose coding agents -- without hardware-specific training -- can optimize hardware designs from high-level algorithmic specifications. We introduce an agent factory, a two-stage pipeline that constructs and coordinates multiple autonomous optimization agents. In Stage~1, the pipeline decomposes a design into sub-kernels, independently optimizes each using pragma and code-level transformations, and formulates an Integer Linear Program (ILP) to assemble globally promising configurations under an area constraint. In Stage~2, it launches $N$ expert agents over the top ILP solutions, each exploring cross-function optimizations such as pragma recombination, loop fusion, and memory restructuring that are not captured by sub-kernel decomposition. We evaluate the approach on 12 kernels from HLS-Eval and Rodinia-HLS using Claude Code (Opus~4.5/4.6) with AMD Vitis HLS. Scaling from 1 to 10 agents yields a mean $8.27\times$ speedup over baseline, with larger gains on harder benchmarks: streamcluster exceeds $20\times$ and kmeans reaches approximately $10\times$. Across benchmarks, agents consistently rediscover known hardware optimization patterns without domain-specific training, and the best designs often do not originate from top-ranked ILP candidates, indicating that global optimization exposes improvements missed by sub-kernel search. These results establish agent scaling as a practical and effective axis for HLS optimization.
Authors: Hai X. Pham, David T. Hoffmann, Ricardo Guerrero, Brais Martinez
Abstract: Contrastive vision-language (V&L) models remain a popular choice for various applications. However, several limitations have emerged, most notably the limited ability of V&L models to learn compositional representations. Prior methods often addressed this limitation by generating custom training data to obtain hard negative samples. Hard negatives have been shown to improve performance on compositionality tasks, but are often specific to a single benchmark, do not generalize, and can cause substantial degradation of basic V&L capabilities such as zero-shot or retrieval performance, rendering them impractical. In this work we follow a different approach. We identify two root causes that limit compositionality performance of V&Ls: 1) Long training captions do not require a compositional representation; and 2) The final global pooling in the text and image encoders lead to a complete loss of the necessary information to learn binding in the first place. As a remedy, we propose two simple solutions: 1) We obtain short concept centric caption parts using standard NLP software and align those with the image; and 2) We introduce a parameter-free cross-modal attention-pooling to obtain concept centric visual embeddings from the image encoder. With these two changes and simple auxiliary contrastive losses, we obtain SOTA performance on standard compositionality benchmarks, while maintaining or improving strong zero-shot and retrieval capabilities. This is achieved without increasing inference cost. We release the code for this work at https://github.com/SamsungLabs/concept_centric_clip.
Authors: Zehao Wang, Huaide Jiang, Shuaiwu Dong, Yuping Wang, Hang Qiu, Jiachen Li
Abstract: Human driving behavior is inherently personal, which is shaped by long-term habits and influenced by short-term intentions. Individuals differ in how they accelerate, brake, merge, yield, and overtake across diverse situations. However, existing end-to-end autonomous driving systems either optimize for generic objectives or rely on fixed driving modes, lacking the ability to adapt to individual preferences or interpret natural language intent. To address this gap, we propose Drive My Way (DMW), a personalized Vision-Language-Action (VLA) driving framework that aligns with users' long-term driving habits and adapts to real-time user instructions. DMW learns a user embedding from our personalized driving dataset collected across multiple real drivers and conditions the policy on this embedding during planning, while natural language instructions provide additional short-term guidance. Closed-loop evaluation on the Bench2Drive benchmark demonstrates that DMW improves style instruction adaptation, and user studies show that its generated behaviors are recognizable as each driver's own style, highlighting personalization as a key capability for human-centered autonomous driving. Our data and code are available at https://dmw-cvpr.github.io/.
Authors: Wanchuang Zhu, Benjamin Zi Hao Zhao, Simon Luo, Tongliang Liu, Ke Deng
Abstract: Byzantine attacks hinder the deployment of federated learning algorithms. Although we know that the benign gradients and Byzantine attacked gradients are distributed differently, to detect the malicious gradients is challenging due to (1) the gradient is high-dimensional and each dimension has its unique distribution and (2) the benign gradients and the attacked gradients are always mixed (two-sample test methods cannot apply directly). To address the above, for the first time, we propose MANDERA which is theoretically guaranteed to efficiently detect all malicious gradients under Byzantine attacks with no prior knowledge or history about the number of attacked nodes. More specifically, we transfer the original updating gradient space into a ranking matrix. By such an operation, the scales of different dimensions of the gradients in the ranking space become identical. The high-dimensional benign gradients and the malicious gradients can be easily separated. The effectiveness of MANDERA is further confirmed by experimentation on four Byzantine attack implementations (Gaussian, Zero Gradient, Sign Flipping, Shifted Mean), comparing with state-of-the-art defenses. The experiments cover both IID and Non-IID datasets.
Authors: Christopher A. Orrico, Bokan Yang, Dinesh Krishnamoorthy
Abstract: The application of supervised learning techniques in combination with model predictive control (MPC) has recently generated significant interest, particularly in the area of approximate explicit MPC, where function approximators like deep neural networks are used to learn the MPC policy via optimal state-action pairs generated offline. While the aim of approximate explicit MPC is to closely replicate the MPC policy, substituting online optimization with a trained neural network, the performance guarantees that come with solving the online optimization problem are typically lost. This paper considers an alternative strategy, where supervised learning is used to learn the optimal value function offline instead of learning the optimal policy. This can then be used as the cost-to-go function in a myopic MPC with a very short prediction horizon, such that the online computation burden reduces significantly without affecting the controller performance. This approach differs from existing work on value function approximations in the sense that it learns the cost-to-go function by using offline-collected state-value pairs, rather than closed-loop performance data. The cost of generating the state-value pairs used for training is addressed using a sensitivity-based data augmentation scheme.
Authors: Zixiong Yu, Guhan Chen, Jianfa Lai, Bohan Li, Songtao Tian
Abstract: Scaling factors in residual branches have emerged as a prevalent method for boosting neural network performance, especially in normalization-free architectures. While prior work has primarily examined scaling effects from an optimization perspective, this paper investigates their role in residual architectures through the lens of generalization theory. Specifically, we establish that wide residual networks (ResNets) with constant scaling factors become asymptotically unlearnable as depth increases. In contrast, when the scaling factor exhibits rapid depth-wise decay combined with early stopping, over-parameterized ResNets achieve minimax-optimal generalization rates. To establish this, we demonstrate that the generalization capability of wide ResNets can be approximated by the kernel regression associated with a specific kernel. Our theoretical findings are validated through experiments on synthetic data and real-world classification tasks, including MNIST and CIFAR-100.
Authors: Ziao Yang, Han Yue, Jian Chen, Hongfu Liu
Abstract: Influence functions serve as crucial tools for assessing sample influence in model interpretation, subset training set selection, noisy label detection, and more. By employing the first-order Taylor extension, influence functions can estimate sample influence without the need for expensive model retraining. However, applying influence functions directly to deep models presents challenges, primarily due to the non-convex nature of the loss function and the large size of model parameters. This difficulty not only makes computing the inverse of the Hessian matrix costly but also renders it non-existent in some cases. Various approaches, including matrix decomposition, have been explored to expedite and approximate the inversion of the Hessian matrix, with the aim of making influence functions applicable to deep models. In this paper, we revisit a specific, albeit naive, yet effective approximation method known as TracIn. This method substitutes the inverse of the Hessian matrix with an identity matrix. We provide deeper insights into why this simple approximation method performs well. Furthermore, we extend its applications beyond measuring model utility to include considerations of fairness and robustness. Finally, we enhance TracIn through an ensemble strategy. To validate its effectiveness, we conduct experiments on synthetic data and extensive evaluations on noisy label detection, sample selection for large language model fine-tuning, and defense against adversarial attacks.
Authors: Bohao Xu, Yingzhou Lu, Chenhao Li, Ling Yue, Xiao Wang, Tianfan Fu, Minjie Shen, Lulu Chen
Abstract: In drug discovery, predicting the absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties of small-molecule drugs is critical for ensuring safety and efficacy. However, the process of accurately predicting these properties is often resource-intensive and requires extensive experimental data. To address this challenge, we propose SMILES-Mamba, a two-stage model that leverages both unlabeled and labeled data through a combination of self-supervised pretraining and fine-tuning strategies. The model first pre-trains on a large corpus of unlabeled SMILES strings to capture the underlying chemical structure and relationships, before being fine-tuned on smaller, labeled datasets specific to ADMET tasks. Our results demonstrate that SMILES-Mamba exhibits competitive performance across 22 ADMET datasets, achieving the highest score in 14 tasks, highlighting the potential of self-supervised learning in improving molecular property prediction. This approach not only enhances prediction accuracy but also reduces the dependence on large, labeled datasets, offering a promising direction for future research in drug discovery.
Authors: Meitong Liu, Xiaoyuan Zhang, Chulin Xie, Kate Donahue, Han Zhao
Abstract: Multi-objective learning (MOL) aims to learn under multiple potentially conflicting objectives and strike a proper balance. While recent preference-guided MOL methods often rely on additional optimization objectives or constraints, we consider the classic Tchebycheff scalarization (TCH) that naturally allows for locating solutions with user-specified trade-offs. Due to its minimax formulation, directly optimizing TCH often leads to training oscillation and stagnation. In light of this limitation, we propose an adaptive online mirror descent algorithm for TCH, called (Ada)OMD-TCH. One of our main ingredients is an adaptive online-to-batch conversion that significantly improves solution optimality over traditional conversion in practice while maintaining the same theoretical convergence guarantees. We show that (Ada)OMD-TCH achieves a convergence rate of $\mathcal O(\sqrt{\log m/T})$, where $m$ is the number of objectives and $T$ is the number of rounds, providing a tighter dependency on $m$ in the offline setting compared to existing work. Empirically, we demonstrate on both synthetic problems and federated learning tasks that (Ada)OMD-TCH effectively smooths the training process and yields preference-guided, specific, diverse, and fair solutions.
Authors: Benedikt Stroebl, Sayash Kapoor, Arvind Narayanan
Abstract: Recent research has generated hope that inference scaling, such as resampling solutions until they pass verifiers like unit tests, could allow weaker models to match stronger ones. Beyond inference, this approach also enables training reasoning models, where data is curated using rejection sampling against a verifier. However, we show that this approach is fundamentally limited when verifiers are imperfect and have a non-zero probability of producing false positives. Resampling cannot decrease this probability, so it imposes an upper bound to the accuracy of resampling-based inference scaling, regardless of compute budget. Our analysis shows that there is a strong correlation between the model's single-sample accuracy and its false positive rate on HumanEval and MBPP, whose unit tests have limited coverage. Therefore, no amount of inference scaling of weaker models can enable them to match the single-sample accuracy of a sufficiently strong model. Empirical results show that optimal sampling attempts are often fewer than 10, as the negative utility of false positives outweighs benefits, bending inference scaling curves downward. Finally, false positives may have other undesirable qualities, like poor adherence to coding style conventions.
Authors: Dimitris Michailidis, Willem R\"opke, Diederik M. Roijers, Sennay Ghebreab, Fernando P. Santos
Abstract: Multi-Objective Reinforcement Learning (MORL) aims to learn a set of policies that optimize trade-offs between multiple, often conflicting objectives. MORL is computationally more complex than single-objective RL, particularly as the number of objectives increases. Additionally, when objectives involve the preferences of agents or groups, incorporating fairness becomes both important and socially desirable. This paper introduces a principled algorithm that incorporates fairness into MORL while improving scalability to many-objective problems. We propose using Lorenz dominance to identify policies with equitable reward distributions and introduce lambda-Lorenz dominance to enable flexible fairness preferences. We release a new, large-scale real-world transport planning environment and demonstrate that our method encourages the discovery of fair policies, showing improved scalability in two large cities (Xi'an and Amsterdam). Our methods outperform common multi-objective approaches, particularly in high-dimensional objective spaces.
Authors: Bariscan Bozkurt, Ben Deaner, Dimitri Meunier, Liyuan Xu, Arthur Gretton
Abstract: We address the setting of Proxy Causal Learning (PCL), which has the goal of estimating causal effects from observed data in the presence of hidden confounding. Proxy methods accomplish this task using two proxy variables related to the latent confounder: a treatment proxy (related to the treatment) and an outcome proxy (related to the outcome). Two approaches have been proposed to perform causal effect estimation given proxy variables; however only one of these has found mainstream acceptance, since the other was understood to require density ratio estimation - a challenging task in high dimensions. In the present work, we propose a practical and effective implementation of the second approach, which bypasses explicit density ratio estimation and is suitable for continuous and high-dimensional treatments. We employ kernel ridge regression to derive estimators, resulting in simple closed-form solutions for dose-response and conditional dose-response curves, along with consistency guarantees. Our methods empirically demonstrate superior or comparable performance to existing frameworks on synthetic and real-world datasets.
Authors: Henrik Krauss, Takehisa Yairi
Abstract: This study introduces a novel method for revealing human internal attention patterns (decision-relevant attention) from gameplay data alone, leveraging offline attention techniques from reinforcement learning (RL). We propose contextualized, task-relevant (CTR) attention networks, which generate attention maps from both human and RL agent gameplay in Atari environments. To evaluate whether the human CTR maps reveal internal attention patterns, we validate our model by quantitative and qualitative comparison to the agent maps as well as to a temporally integrated overt attention (TIOA) model based on human eye-tracking data. Our results show that human CTR maps are more sparse than the agent ones and align better with the TIOA maps. Following a qualitative visual comparison we conclude that they likely capture patterns of internal attention. As a further application, we use these maps to guide RL agents, finding that human attention-guided agents achieve slightly improved and more stable learning compared to baselines, and significantly outperform TIOA-based agents. This work advances the understanding of human-agent attention differences and provides a new approach for extracting and validating internal attention patterns from behavioral data.
Authors: Bariscan Bozkurt, Houssam Zenati, Dimitri Meunier, Liyuan Xu, Arthur Gretton
Abstract: We study the problem of causal function estimation in the Proxy Causal Learning (PCL) framework, where confounders are not observed but proxies for the confounders are available. Two main approaches have been proposed: outcome bridge-based and treatment bridge-based methods. In this work, we propose two kernel-based doubly robust estimators that combine the strengths of both approaches, and naturally handle continuous and high-dimensional variables. Our identification strategy builds on a recent density ratio-free method for treatment bridge-based PCL; furthermore, in contrast to previous approaches, it does not require indicator functions or kernel smoothing over the treatment variable. These properties make it especially well-suited for continuous or high-dimensional treatments. By using kernel mean embeddings, we propose the first density-ratio free doubly robust estimators for proxy causal learning, which have closed form solutions and strong uniform consistency guarantees. Our estimators outperform existing methods on PCL benchmarks, including a prior doubly robust method that requires both kernel smoothing and density ratio estimation.
Authors: Kyle R. Chickering, Bangzheng Li, Muhao Chen
Abstract: Multimodal Large Language Models (MLLMs) encode images into visual tokens, aligning visual and textual signals within a shared latent space to facilitate crossmodal representation learning. The CLIP model is a widely adopted foundational vision language model whose vision encoder has played a critical role in the development of MLLMs such as LLaVA. However, the CLIP vision encoder suffers from notable limitations including being constrained to only handling fixed input resolutions and a failure to produce separated embeddings for dissimilar images. Replacing the vision encoder of an existing model typically incurs substantial computational costs because such a change often necessitates retraining the entire model pipeline. In this work, we identify two factors which underlie the limitations of the CLIP vision encoder: mesoscopic bias and interpolation bias. To address these issues, we propose QLIP, a drop-in replacement for CLIP that can be seamlessly integrated with existing MLLMs with only a few lines of code and can enhance both coarse-grained and fine-grained visual understanding, without re-training. QLIP is designed around an image quadtree which replaces the standard uniform grid patches with a novel content aware patchification. Our experimental results demonstrate that QLIP improves the general visual question answering accuracy of the LLaVA v1.5 model series across various model sizes--without requiring retraining or fine-tuning of the full MLLM. Notably, QLIP boosts detailed understanding performance on the challenging V-star benchmark by up to 13.6 percent.
Authors: Yinzhou Tang, Huandong Wang, Xiaochen Fan, Yong Li
Abstract: The vulnerability of cities has increased with urbanization and climate change, making it more important to predict human mobility during extreme events (e.g., extreme weather) for downstream tasks including location-based early disaster warning and pre-allocating rescue resources, etc. However, existing human mobility prediction models are mainly designed for normal scenarios, and fail to adapt to extreme scenarios due to the shift of human mobility patterns under extreme scenarios. To address this issue, we introduce \textbf{X-MLM}, a cross-e\textbf{X}treme-event \textbf{M}obility \textbf{L}anguge \textbf{M}odel framework for extreme scenarios that can be integrated into existing deep mobility prediction methods by leveraging LLMs to model the mobility intention and transferring the common knowledge of how different extreme events affect mobility intentions between cities. This framework utilizes a RAG-Enhanced Intention Predictor to forecast the next intention, refines it with an LLM-based Intention Refiner, and then maps the intention to an exact location using an Intention-Modulated Location Predictor. Extensive experiments illustrate that X-MLM can achieve a 32.8\% improvement in terms of Acc@1 and a 35.0\% improvement in terms of the F1-score of predicting immobility compared to the baselines. The code is available at https://github.com/tsinghua-fib-lab/XMLM.
Authors: Sameer Ambekar, Marta Hasny, Laura Daza, Daniel M. Lang, Julia A. Schnabel
Abstract: Test-time adaptation allows pretrained models to adjust to incoming data streams, addressing distribution shifts between source and target domains. However, standard methods rely on single-dimensional linear classification layers, which often fail to handle diverse and complex shifts. We propose Hierarchical Adaptive Networks with Task Vectors (Hi-Vec), which leverages multiple layers of increasing size for dynamic test-time adaptation. By decomposing the encoder's representation space into such hierarchically organized layers, Hi-Vec, in a plug-and-play manner, allows existing methods to adapt to shifts of varying complexity. Our contributions are threefold: First, we propose dynamic layer selection for automatic identification of the optimal layer for adaptation to each test batch. Second, we propose a mechanism that merges weights from the dynamic layer to other layers, ensuring all layers receive target information. Third, we propose linear layer agreement that acts as a gating function, preventing erroneous fine-tuning by adaptation on noisy batches. We rigorously evaluate the performance of Hi-Vec in challenging scenarios and on multiple target datasets, proving its strong capability to advance state-of-the-art methods. Our results show that Hi-Vec improves robustness, addresses uncertainty, and handles limited batch sizes and increased outlier rates.
Authors: Khawla Elhadri, J\"org Schl\"otterer, Christin Seifert
Abstract: Tabular data is the foundation of many applications in fields such as finance and healthcare. Although DNNs tailored for tabular data achieve competitive predictive performance, they are blackboxes with little interpretability. We introduce XNNTab, a neural architecture that uses a sparse autoencoder (SAE) to learn a dictionary of monosemantic features within the latent space used for prediction. Using an automated method, we assign human-interpretable semantics to these features. This allows us to represent predictions as linear combinations of semantically meaningful components. Empirical evaluations demonstrate that XNNTab attains performance on par with or exceeding that of state-of-the-art, black-box neural models and classical machine learning approaches while being fully interpretable.
Authors: Ying Zheng, Yangfan Jiang, Kian-Lee Tan
Abstract: Causal fairness in databases is crucial to preventing biased and inaccurate outcomes in downstream tasks. While most prior work assumes a known causal model, recent efforts relax this assumption by enforcing additional constraints. However, these approaches often fail to capture broader attribute relationships that are critical to maintaining utility. This raises a fundamental question: Can we harness the benefits of causal reasoning to design efficient and effective fairness solutions without relying on strong assumptions about the underlying causal model? In this paper, we seek to answer this question by introducing CausalPre, a scalable and effective causality-guided data pre-processing framework that guarantees justifiable fairness, a strong causal notion of fairness. CausalPre extracts causally fair relationships by reformulating the originally complex and computationally infeasible extraction task into a tailored distribution estimation problem. To ensure scalability, CausalPre adopts a carefully crafted variant of low-dimensional marginal factorization to approximate the joint distribution, complemented by a heuristic algorithm that efficiently tackles the associated computational challenge. Extensive experiments on benchmark datasets demonstrate that CausalPre is both effective and scalable, challenging the conventional belief that achieving causal fairness requires trading off relationship coverage for relaxed model assumptions.
Authors: Nick Janssen, Melanie Schaller, Bodo Rosenhahn
Abstract: Understanding the robustness of deep learning models for multivariate long-term time series forecasting (M-LTSF) remains challenging, as evaluations typically rely on real-world datasets with unknown noise properties. We propose a simulation-based evaluation framework that generates parameterizable synthetic datasets, where each dataset instance corresponds to a different configuration of signal components, noise types, signal-to-noise ratios, and frequency characteristics. These configurable components aim to model real-world multivariate time series data without the ambiguity of unknown noise. This framework enables fine-grained, systematic evaluation of M-LTSF models under controlled and diverse scenarios. We benchmark four representative architectures S-Mamba (state-space), iTransformer (transformer-based), R-Linear (linear), and Autoformer (decomposition-based). Our analysis reveals that all models degrade severely when lookback windows cannot capture complete periods of seasonal patters in the data. S-Mamba and Autoformer perform best on sawtooth patterns, while R-Linear and iTransformer favor sinusoidal signals. White and Brownian noise universally degrade performance with lower signal-to-noise ratio while S-Mamba shows specific trend-noise and iTransformer shows seasonal-noise vulnerability. Further spectral analysis shows that S-Mamba and iTransformer achieve superior frequency reconstruction. This controlled approach, based on our synthetic and principle-driven testbed, offers deeper insights into model-specific strengths and limitations through the aggregation of MSE scores and provides concrete guidance for model selection based on signal characteristics and noise conditions.
Authors: Tavish McDonald, Bo Lei, Stanislav Fort, Bhavya Kailkhura, Brian Bartoldson
Abstract: Test-time reasoning has raised benchmark performances and even shown promise in addressing the historically intractable problem of making models robust to adversarially out-of-distribution (OOD) data. Indeed, recent work used reasoning to aid satisfaction of model specifications designed to thwart attacks, finding a striking correlation between LLM reasoning effort and robustness to jailbreaks. However, this benefit fades when stronger (e.g. gradient-based or multimodal) attacks are used. This may be expected as models often can't follow instructions on the adversarially OOD data created by such attacks, and instruction following is needed to act in accordance with the attacker-thwarting spec. Thus, we hypothesize that the test-time robustness benefits of specs are unlocked by initial robustness sufficient to follow instructions on OOD data. Namely, we posit the Robustness from Inference Compute Hypothesis (RICH): inference-compute defenses profit as the model's training data better reflects the components of attacked data. Guided by the RICH, we test models of varying initial-robustness levels, finding inference-compute adds robustness even to white-box multimodal attacks, provided the model has sufficient initial robustness. Further evidencing a rich-get-richer dynamic, InternVL 3.5 gpt-oss 20B gains little robustness when its test compute is scaled, but such scaling adds significant robustness if we first robustify its vision encoder (creating the first adversarially robust reasoning VLM in the process). Robustifying models makes attacked components of data more in-distribution (ID), and the RICH suggests this fuels compositional generalization -- understanding OOD data via its ID components -- to following spec instructions on adversarial data. Consistently, we find test-time defenses both build and depend on train-time data and defenses.
Authors: Viacheslav Vasilev, Arseny Ivanov, Nikita Gushchin, Maria Kovaleva, Alexander Korotin
Abstract: Diffusion models excel in noise-to-data generation tasks, providing a mapping from a Gaussian distribution to a more complex data distribution. However they struggle to model translations between complex distributions, limiting their effectiveness in data-to-data tasks. While Bridge Matching models address this by finding the translation between data distributions, their application to time-correlated data sequences remains unexplored. This is a critical limitation for video generation and manipulation tasks, where maintaining temporal coherence is particularly important. To address this gap, we propose Time-Correlated Video Bridge Matching (TCVBM), a framework that extends BM to time-correlated data sequences in the video domain. TCVBM explicitly models inter-sequence dependencies within the diffusion bridge, directly incorporating temporal correlations into the sampling process. We compare our approach to classical methods based on bridge matching and diffusion models for three video-related tasks: frame interpolation, image-to-video generation, and video super-resolution. TCVBM achieves superior performance across multiple quantitative metrics, demonstrating enhanced generation quality and reconstruction fidelity.
Authors: Qiwei Yuan, Zhitong Xu, Yinghao Chen, Yiming Xu, Houman Owhadi, Shandian Zhe
Abstract: Machine learning solvers for partial differential equations (PDEs) have attracted growing interest. However, most existing approaches, such as neural network solvers, rely on stochastic training, which is inefficient and typically requires a great many training epochs. Gaussian process (GP)/kernel-based solvers, while mathematical principled, suffer from scalability issues when handling large numbers of collocation points often needed for challenging or higher-dimensional PDEs. To overcome these limitations, we propose TGPS, a tensor-GP-based solver that introduces factor functions along each input dimension using one-dimensional GPs and combines them via tensor decomposition to approximate the full solution. This design reduces the task to learning a collection of one-dimensional GPs, substantially lowering computational complexity, and enabling scalability to massive collocation sets. For efficient nonlinear PDE solving, we use a partial freezing strategy and Newton's method to linerize the nonlinear terms. We then develop an alternating least squares (ALS) approach that admits closed-form updates, thereby substantially enhancing the training efficiency. We establish theoretical guarantees on the expressivity of our model, together with convergence proof and error analysis under standard regularity assumptions. Experiments on several benchmark PDEs demonstrate that our method achieves superior accuracy and efficiency compared to existing approaches. The code is released at https://github.com/BayesianAIGroup/TGPSolve-NonLinear-PDEs
URLs: https://github.com/BayesianAIGroup/TGPSolve-NonLinear-PDEs
Authors: Xinlong Zhao, Tong Jia, Minghua He, Xixuan Yang, Ying Li
Abstract: Log-based anomaly detection is critical for ensuring the stability and reliability of web systems. One of the key problems in this task is the lack of sufficient labeled logs, which limits the rapid deployment in new systems. Existing works usually leverage large-scale labeled logs from a mature web system and a small amount of labeled logs from a new system, using transfer learning to extract and generalize general knowledge across both domains. However, these methods focus solely on the transfer of general knowledge and neglect the disparity and potential mismatch between such knowledge and the proprietary knowledge of target system, thus constraining performance. To address this limitation, we propose FusionLog, a novel zero-label cross-system log-based anomaly detection method that effectively achieves the fusion of general and proprietary knowledge, enabling cross-system generalization without any labeled target logs. Specifically, we first design a training-free router based on semantic similarity that dynamically partitions unlabeled target logs into 'general logs' and 'proprietary logs.' For general logs, FusionLog employs a small model based on system-agnostic representation meta-learning for direct training and inference, inheriting the general anomaly patterns shared between the source and target systems. For proprietary logs, we iteratively generate pseudo-labels and fine-tune the small model using multi-round collaborative knowledge distillation and fusion based on large language model (LLM) and small model (SM) to enhance its capability to recognize anomaly patterns specific to the target system. Experimental results on three public log datasets from different systems show that FusionLog achieves over 90% F1-score under a fully zero-label setting, significantly outperforming state-of-the-art cross-system log-based anomaly detection methods.
Authors: Artur A. Oliveira, Mateus Espadoto, Roberto M. Cesar Jr., Roberto Hirata Jr
Abstract: We introduce Graph Memory (GM), a structured non-parametric framework that represents an embedding space through a compact graph of reliability-annotated prototype regions. GM encodes local geometry and regional ambiguity through prototype relations and performs inference by diffusing query evidence across this structure, unifying instance retrieval, prototype-based reasoning, and graph diffusion within a single inductive and interpretable model. The framework is inherently modality-agnostic: in multimodal settings, independent prototype graphs are constructed for each modality and their calibrated predictions are combined through reliability-aware late fusion, enabling transparent integration of heterogeneous sources such as whole-slide images and gene-expression profiles. Experiments on synthetic benchmarks, breast histopathology (IDC), and the multimodal AURORA dataset show that GM matches or exceeds the accuracy of kNN and Label Spreading while providing substantially better calibration, smoother decision boundaries, and an order-of-magnitude smaller memory footprint. By explicitly modeling regional reliability and relational structure, GM offers a principled and interpretable approach to non-parametric inference across single- and multi-modal domains.
Authors: Fatemeh Nourzad, Amirhossein Roknilamouki, Eylem Ekici, Jia Liu, Ness Shroff
Abstract: Aligning Large Language Models (LLMs) with human values often involves balancing multiple, conflicting objectives such as helpfulness and harmlessness. Training these models is computationally intensive, and centralizing the process raises significant data privacy concerns. Federated Learning (FL) offers a compelling alternative, but existing Federated Multi-Objective Optimization (FMOO) methods face severe communication bottlenecks as their reliance on transmitting multiple gradients to a server is unscalable for large models. We introduce FIRM (Federated In-client Regularized Multi-objective alignment), a novel algorithm that achieves both client disagreement drift mitigation and communication efficiency. In FIRM, each client locally solves a regularized multi-objective optimization problem. By directly mitigating client disagreement drift through in-client regularization, our method eliminates the need for the multi-gradient transmissions common in prior works. Consequently, clients need only to transmit a single set of adapted parameters, maintaining high communication efficiency. We prove that our algorithm converges to Pareto-stationary points and, to our knowledge, provide the first finite-time convergence guarantees for this federated multi-objective alignment setting. Empirically, we show that FIRM leads to smoother training dynamics, reduced client disagreement drift, and improved reward trade-offs compared to baselines. We further propose a method to incorporate a preference over the objectives and report empirical Pareto plots, demonstrating that FIRM can smoothly adapt trade-offs between objectives in response to specified preferences.
Authors: Denis Huseljic, Marek Herde, Lukas Rauch, Paul Hahn, Bernhard Sick
Abstract: Existing active learning (AL) strategies capture fundamentally different notions of data value, e.g., uncertainty or representativeness. Consequently, the effectiveness of strategies can vary substantially across datasets, models, and even AL cycles. Committing to a single strategy risks suboptimal performance, as no single strategy dominates throughout the entire AL process. We introduce REFINE, an ensemble AL method that combines multiple strategies without knowing in advance which will perform best. In each AL cycle, REFINE operates in two stages: (1) Progressive filtering iteratively refines the unlabeled pool by considering an ensemble of AL strategies, retaining promising candidates capturing different notions of value. (2) Coverage-based selection then chooses a final batch from this refined pool, ensuring all previously identified notions of value are accounted for. Extensive experiments across 6 classification datasets and 3 foundation models show that REFINE consistently outperforms individual strategies and existing ensemble methods. Notably, progressive filtering serves as a powerful preprocessing step that improves the performance of any individual AL strategy applied to the refined pool, which we demonstrate on an audio spectrogram classification use case. Finally, the ensemble of REFINE can be easily extended with upcoming state-of-the-art AL strategies.
Authors: Anubhab, Rupesh Nasre
Abstract: Graph Neural Networks (GNNs) present a fundamental hardware challenge by fusing irregular, memory-bound graph traversals with regular, compute-intensive dense matrix operations. While frameworks such as PyTorch Geometric (PyG) and Deep Graph Library (DGL) prioritize high-level usability, they fail to address these divergent execution characteristics. As a result, they rely on generic kernels that suffer from poor cache locality, excessive memory movement, and substantial intermediate allocations. To address these limitations, we present Morphling, a domain-specific code synthesizer designed to bridge this gap. Morphling compiles high-level GNN specifications into portable, backend-specialized implementations targeting OpenMP, CUDA, and MPI. It achieves this by instantiating a library of optimized, architecture-aware primitives tailored to each execution environment. Morphling also incorporates a runtime sparsity-aware execution engine that dynamically selects dense or sparse execution paths using input feature statistics, reducing unnecessary computation on zero-valued entries. We evaluate Morphling on eleven real-world datasets spanning diverse graph structures, feature dimensionalities, and sparsity regimes. Morphling improves per-epoch training throughput by an average of 20X on CPUs, 19X on GPUs, and 6X in distributed settings over PyG and DGL, with peak speedups reaching 66X. Morphling's memory-efficient layouts further reduce peak memory consumption by up to 15X, enabling large-scale GNN training on commodity hardware. These findings demonstrate that specialized, architecture-aware code synthesis provides an effective and scalable path toward high-performance GNN execution across diverse parallel and distributed platforms.
Authors: Sanja Karilanova, Subhrakanti Dey, Ay\c{c}a \"Oz\c{c}elikkale
Abstract: Spiking neural networks (SNNs) are biologically inspired, event-driven models suited for temporal data processing and energy-efficient neuromorphic computing. In SNNs, richer neuronal dynamic allows capturing more complex temporal dependencies, with delays playing a crucial role by allowing past inputs to directly influence present spiking behavior. We propose a general framework for incorporating delays into SNNs through additional state variables. The proposed mechanism enables each neuron to access a finite temporal input history. The framework is agnostic to neuron models and hence can be seamlessly integrated into standard spiking neuron models such as Leaky Integrate-and-Fire (LIF) and Adaptive LIF (adLIF). We analyze how the duration of the delays and the learnable parameters associated with them affect the performance. We investigate the trade-offs in the network architecture due to additional state variables introduced by the delay mechanism. Experiments on the Spiking Heidelberg Digits (SHD) dataset show that the proposed mechanism matches existing delay-based SNNs in performance while remaining computationally efficient, with particular gains in smaller networks.
Authors: Davide Donno, Donatello Elia, Gabriele Accarino, Marco De Carlo, Enrico Scoccimarro, Silvio Gualdi
Abstract: Accurate tropical cyclones (TCs) tracking represents a critical challenge in the context of weather and climate science. Traditional tracking schemes mainly rely on subjective thresholds, which may introduce biases in their skills on the geographical region of application and are often computationally and data-intensive, due to the management of a large number of variables. We present \textit{ByteStorm}, an efficient data-driven framework for reconstructing TC tracks. It leverages deep learning networks to detect TC centers (via classification and localization), using only relative vorticity (850 mb) and mean sea-level pressure. Then, detected centers are linked into TC tracks through the BYTE algorithm. \textit{ByteStorm} is benchmarked with state-of-the-art deterministic trackers on the main global TC formation basins. The proposed framework achieves good tracking skills in terms of Probability of Detection and False Alarm Rate, accurately reproduces Seasonal and Inter-Annual Variability, and reconstructs reliable, smooth and coherent TC tracks. These results highlight the potential of integrating deep learning and computer vision to provide robust, computationally efficient and skillful data-driven alternatives to TC tracking.
Authors: Tiago Brogueira, M\'ario Figueiredo
Abstract: Causal discovery methods have traditionally been developed under two different modeling assumptions: independent and identically distributed (i.i.d.) data and time series data. In this paper, we focus on the i.i.d. setting, arguing that it should be reframed in terms of exchangeability, a strictly more general symmetry principle. For that goal, we propose an exchangeable hierarchical model that builds upon the recent Causal de Finetti theorem. Using this model, we show that both the uncertainty regarding the causal mechanism and the uncertainty in the distribution of latent variables are better captured under the broader assumption of exchangeability. In fact, we argue that this is most often the case with real data, as supported by an in-depth analysis of the T\"ubingen dataset. Exploiting this insight, we introduce a novel synthetic dataset that mimics the generation process induced by the proposed exchangeable hierarchical model. We show that our exchangeable synthetic dataset mirrors the statistical and causal structure of the T\"ubingen dataset more closely than other i.i.d. synthetic datasets. Furthermore, we introduce SynthNN, a neural-network-based causal-discovery method trained exclusively on the proposed synthetic dataset. The fact that SynthNN performs competitively with other state-of-the-art methods on the real-world T\"ubingen dataset provides strong evidence for the realism of the underlying exchangeable generative model.
Authors: Patrick Batsell, Tsutsui Satoshi, Bihan Wen
Abstract: Infants learn not only object categories but also fine-grained visual attributes such as color, size, and texture from limited experience. Prior infant-scale vision--language models have mainly been evaluated on object recognition, leaving open whether they support within-class attribute discrimination. We introduce a controlled benchmark that varies color, size, and texture across 67 everyday object classes using synthetic rendering to decouple attribute values from object identity. We evaluate infant-trained models (CVCL and an infant-trained DINO baseline) against web-scale and ImageNet models (CLIP, SigLIP, ResNeXt) under two complementary settings: an image-only prototype test and a text--vision test with attribute--object prompts. We find a dissociation between visual and linguistic attribute information: infant-trained models form strong visual representations for size and texture but perform poorly on visual color discrimination, and in the text--vision setting they struggle to ground color and show only modest size grounding. In contrast, web-trained vision--language models strongly ground color from text while exhibiting weaker visual size discrimination.
Authors: Mohammad Meymani, Roozbeh Razavi-Far
Abstract: Machine learning is a powerful tool enabling full automation of a huge number of tasks without explicit programming. Despite recent progress of machine learning in different domains, these models have shown vulnerabilities when they are exposed to adversarial threats. Adversarial threats aim to hinder the machine learning models from satisfying their objectives. They can create adversarial perturbations, which are imperceptible to humans' eyes but have the ability to cause misclassification during inference. In this paper, we propose a defense system, which devises an adversarial training module within mixture-of-experts architecture to enhance its robustness against white-box evasion attacks. In our proposed defense system, we use nine pre-trained classifiers (experts) with ResNet-18 as their backbone. During end-to-end training, the parameters of all experts and the gating mechanism are jointly updated allowing further optimization of the experts. Our proposed defense system outperforms prior MoE-based defenses under strong white-box FGSM and PGD evaluation on CIFAR-10 and SVHN. The use of multiple experts increases training time and compute relative to single-network baselines; however, inference scales approximately linearly with the number of experts and is substantially cheaper than training.
Authors: Mattia Billa, Giovanni Orlandi, Veronica Guidetti, Federica Mandreoli
Abstract: As machine learning models are increasingly deployed in high-stakes domains, the need for interpretability has grown to meet strict regulatory and accountability constraints. Despite this interest, systematic evaluations of inherently interpretable models for tabular data remain scarce and often focus solely on aggregated performance. To address this gap, we evaluate sixteen interpretable methods, including Explainable Boosting Machines (EBMs), Symbolic Regression (SR), and Generalized Optimal Sparse Decision Trees, across 216 real-world tabular datasets. We assess predictive accuracy, computational efficiency, and generalization under distributional shifts. Moving beyond aggregate performance rankings, we further analyze how model behavior varies with dataset meta-features and operationalize these descriptors to study algorithm selection. Our analyses reveal a clear dichotomy: in regression tasks, models exhibit a predictable performance hierarchy dominated by EBMs and SR that can be inferred from dataset characteristics. In contrast, classification performance remains highly dataset-dependent with no stable hierarchy, showing that standard complexity measures fail to provide actionable guidance. Furthermore, we identify an "interpretability tax", showing that models explicitly optimizing for structural sparsity incur significantly longer training times. Overall, these findings provide practical guidance for practitioners seeking a balance between interpretability and predictive performance, and contribute to a deeper empirical understanding of interpretable modeling for tabular data.
Authors: Btissame El Mahtout, Florian Ziel
Abstract: Precise day-ahead forecasts for electricity prices are crucial to ensure efficient portfolio management, support strategic decision-making for power plant operations, enable efficient battery storage optimization, and facilitate demand response planning. However, developing an accurate prediction model is highly challenging in an uncertain and volatile market environment. For instance, although linear models generally exhibit competitive performance in predicting electricity prices with minimal computational requirements, they fail to capture relevant nonlinear relationships. Nonlinear models, on the other hand, can improve forecasting accuracy with a surge in computational costs. We propose a novel multivariate neural network approach that combines linear and nonlinear feed-forward neural structures. Unlike previous hybrid models, our approach integrates online learning and forecast combination for efficient training and accuracy improvement. It also incorporates all relevant characteristics, particularly the fundamental relationships arising from wind and solar generation, electricity demand patterns, related energy fuel and carbon markets, in addition to autoregressive dynamics and calendar effects. Compared to the current state-of-the-art benchmark models, the proposed forecasting method significantly reduces computational cost while delivering superior forecasting accuracy (12-13% RMSE and 15-18% MAE reductions). Our results are derived from a six-year forecasting study conducted on major European electricity markets.
Authors: Satya Prakash Dash, Hossein Abdi, Wei Pan, Samuel Kaski, Mingfei Sun
Abstract: Gradient regularization (GR) has been shown to improve the generalizability of trained models. While Natural Gradient Descent has been shown to accelerate optimization in the initial phase of training, little attention has been paid to how the training dynamics of second-order optimizers can benefit from GR. In this work, we propose Gradient-Regularized Natural Gradients (GRNG), a family of scalable second-order optimizers that integrate explicit gradient regularization with natural gradient updates. Our framework introduces two frequentist algorithms: Regularized Explicit Natural Gradient (RENG), which utilizes double backpropagation to explicitly minimize the gradient norm, and Regularized Implicit Natural Gradient (RING), which incorporates regularization implicitly into the update direction. We also propose a Bayesian variant based on a Regularized-Kalman formulation that eliminates the need for FIM inversion entirely. We establish convergence guarantees for GRNG, showing that gradient regularization improves stability and enables convergence to global minima. Empirically, we demonstrate that GRNG consistently enhances both optimization speed and generalization compared to first-order methods (SGD, AdamW) and second-order baselines (K-FAC, Sophia), with strong results on vision and language benchmarks.
Authors: Lecheng Zheng, Dongqi Fu, Zihao Li, Jingrui He
Abstract: Graph data is informative to represent complex relationships such as transactions between accounts, communications between devices, and dependencies among machines or processes. Correspondingly, graph anomaly detection (GAD) plays a critical role in identifying anomalies across various domains, including finance, cybersecurity, manufacturing, etc. Facing the large-volume and multi-domain graph data, nascent efforts attempt to develop foundational generalist models capable of detecting anomalies in unseen graphs without retraining. To the best of our knowledge, the different feature semantics and dimensions of cross-domain graph data heavily hinder the development of the graph foundation model, leaving further in-depth continual learning and inference capabilities a quite open problem. Hence, we propose OWLEYE, a novel zero-shot GAD framework that learns transferable patterns of normal behavior from multiple graphs, with a threefold contribution. First, OWLEYE proposes a cross-domain feature alignment module to harmonize feature distributions, which preserves domain-specific semantics during alignment. Second, with aligned features, to enable continuous learning capabilities, OWLEYE designs the multi-domain multi-pattern dictionary learning to encode shared structural and attribute-based patterns. Third, for achieving the in-context learning ability, OWLEYE develops a truncated attention-based reconstruction module to robustly detect anomalies without requiring labeled data for unseen graph-structured data. Extensive experiments on real-world datasets demonstrate that OWLEYE achieves superior performance and generalizability compared to state-of-the-art baselines, establishing a strong foundation for scalable and label-efficient anomaly detection.
Authors: Vincent Lemaire, N\'edra Meloulli, Pierre Jaquet
Abstract: Sepsis remains one of the most complex and heterogeneous syndromes in intensive care, characterized by diverse physiological trajectories and variable responses to treatment. While deep learning models perform well in the early prediction of sepsis, they often lack interpretability and ignore latent patient sub-phenotypes. In this work, we propose a machine learning framework by opening up a new avenue for addressing this issue: a relational approach. Temporal data from electronic medical records (EMRs) are viewed as multivariate patient logs and represented in a relational data schema. Then, a propositionalisation technique (based on classic aggregation/selection functions from the field of relational data) is applied to construct interpretable features to "flatten" the data. Finally, the flattened data is classified using a selective naive Bayesian classifier. Experimental validation demonstrates the relevance of the suggested approach as well as its extreme interpretability. The interpretation is fourfold: univariate, global, local, and counterfactual.
Authors: Jian Gao, Yiwei Zou, Abhishek Pradhan, Wenhao Huang, Yumin Su, Kaiyuan Yang, Xuan Zhang
Abstract: Discovering superior circuit topologies requires navigating an exponentially large design space-a challenge traditionally reserved for human experts. Existing AI methods either select from predefined templates or generate novel topologies at a limited scale without rigorous verification, leaving large-scale performance-driven discovery underexplored. We present PowerGenie, a framework for automated discovery of higher-performance reconfigurable power converters at scale. PowerGenie introduces: (1) an automated analytical framework that determines converter functionality and theoretical performance limits without component sizing or SPICE simulation, and (2) an evolutionary finetuning method that co-evolves a generative model with its training distribution through fitness selection and uniqueness verification. Unlike existing methods that suffer from mode collapse and overfitting, our approach achieves higher syntax validity, function validity, novelty rate, and figure-of-merit (FoM). PowerGenie discovers a novel 8-mode reconfigurable converter with 23% higher FoM than the best training topology. SPICE simulations confirm average absolute efficiency gains of 10% across 8 modes and up to 17% at a single mode. Code will be released upon publication.
Authors: Han Xiao
Abstract: We present an $\epsilon$-bounded compression method for unit-norm embeddings that achieves 1.5$\times$ compression, 25% better than the best prior lossless method. The method exploits that spherical coordinates of high-dimensional unit vectors concentrate around $\pi/2$, causing IEEE 754 exponents to collapse to a single value and high-order mantissa bits to become predictable, enabling entropy coding of both. Reconstruction error is bounded by float32 machine epsilon ($1.19 \times 10^{-7}$), making reconstructed values indistinguishable from originals at float32 precision. Evaluation across 26 configurations spanning text, image, and multi-vector embeddings confirms consistent compression improvement with zero measurable retrieval degradation on BEIR benchmarks.
Authors: Ruinan Jin, Yingbin Liang, Shaofeng Zou
Abstract: Despite Adam demonstrating faster empirical convergence than SGD in many applications, much of the existing theory yields guarantees essentially comparable to those of SGD, leaving the empirical performance gap insufficiently explained. In this paper, we uncover a key second-moment normalization in Adam and develop a stopping-time/martingale analysis that provably distinguishes Adam from SGD under the classical bounded variance model (a second moment assumption). In particular, we establish the first theoretical separation between the high-probability convergence behaviors of the two methods: Adam achieves a $\delta^{-1/2}$ dependence on the confidence parameter $\delta$, whereas corresponding high-probability guarantee for SGD necessarily incurs at least a $\delta^{-1}$ dependence.
Authors: Martin G. Frasch
Abstract: Identifying physical laws from noisy observational data is a central challenge in scientific machine learning. We present Minimum-Action Learning (MAL), a framework that selects symbolic force laws from a pre-specified basis library by minimizing a Triple-Action functional combining trajectory reconstruction, architectural sparsity, and energy-conservation enforcement. A wide-stencil acceleration-matching technique reduces noise variance by 10,000x, transforming an intractable problem (SNR ~0.02) into a learnable one (SNR ~1.6); this preprocessing is the critical enabler shared by all methods tested, including SINDy variants. On two benchmarks -- Kepler gravity and Hooke's law -- MAL recovers the correct force law with Kepler exponent p = 3.01 +/- 0.01 at ~0.07 kWh (40% reduction vs. prediction-error-only baselines). The raw correct-basis rate is 40% for Kepler and 90% for Hooke; an energy-conservation-based criterion discriminates the true force law in all cases, yielding 100% pipeline-level identification. Basis library sensitivity experiments show that near-confounders degrade selection (20% with added r^{-2.5} and r^{-1.5}), while distant additions are harmless, and the conservation diagnostic remains informative even when the correct basis is absent. Direct comparison with noise-robust SINDy variants, Hamiltonian Neural Networks, and Lagrangian Neural Networks confirms MAL's distinct niche: interpretable, energy-constrained model selection that combines symbolic basis identification with dynamical rollout validation.
Authors: Xuan Liu, Xiaobin Chang
Abstract: Weight regularization methods in continual learning (CL) alleviate catastrophic forgetting by assessing and penalizing changes to important model weights. Elastic Weight Consolidation (EWC) is a foundational and widely used approach within this framework that estimates weight importance based on gradients. However, it has consistently shown suboptimal performance. In this paper, we conduct a systematic analysis of importance estimation in EWC from a gradient-based perspective. For the first time, we find that EWC's reliance on the Fisher Information Matrix (FIM) results in gradient vanishing and inaccurate importance estimation in certain scenarios. Our analysis also reveals that Memory Aware Synapses (MAS), a variant of EWC, imposes unnecessary constraints on parameters irrelevant to prior tasks, termed the redundant protection. Consequently, both EWC and its variants exhibit fundamental misalignments in estimating weight importance, leading to inferior performance. To tackle these issues, we propose the Logits Reversal (LR) operation, a simple yet effective modification that rectifies EWC's importance estimation. Specifically, reversing the logit values during the calculation of FIM can effectively prevent both gradient vanishing and redundant protection. Extensive experiments across various CL tasks and datasets show that the proposed method significantly outperforms existing EWC and its variants. Therefore, we refer to it as EWC Done Right (EWC-DR). Code is available at https://github.com/scarlet0703/EWC-DR.
Authors: Qin Jiang, Chengjia Wang, Michael Lones, Dongdong Chen, Wei Pang
Abstract: Spectral Graph Neural Networks (Spectral GNNs) for node classification promise frequency-domain filtering on graphs, yet rest on flawed foundations. Recent work shows that graph Laplacian eigenvectors do not in general have the key properties of a true Fourier basis, but leaves the empirical success of Spectral GNNs unexplained. We identify two theoretical glitches: (1) commonly used "graph Fourier bases" are not classical Fourier bases for graph signals; (2) (n-1)-degree polynomials (n = number of nodes) can exactly interpolate any spectral response via a Vandermonde system, so the usual "polynomial approximation" narrative is not theoretically justified. The effectiveness of GCN is commonly attributed to spectral low-pass filtering, yet we prove that low- and high-pass behaviors arise solely from message-passing dynamics rather than Graph Fourier Transform-based spectral formulations. We then analyze two representative directed spectral models, MagNet and HoloNet. Their reported effectiveness is not spectral: it arises from implementation issues that reduce them to powerful MPNNs. When implemented consistently with the claimed spectral algorithms, performance becomes weak. This position paper argues that: for node classification, Spectral GNNs neither meaningfully capture the graph spectrum nor reliably improve performance; competitive results are better explained by their equivalence to MPNNs, sometimes aided by implementations inconsistent with their intended design.
Authors: Dong-Xiao Zhang, Hu Lou, Jun-Jie Zhang, Jun Zhu, Deyu Meng
Abstract: Adversarial vulnerability in vision and hallucination in large language models are conventionally viewed as separate problems, each addressed with modality-specific patches. This study first reveals that they share a common geometric origin: the input and its loss gradient are conjugate observables subject to an irreducible uncertainty bound. Formalizing a Neural Uncertainty Principle (NUP) under a loss-induced state, we find that in near-bound regimes, further compression must be accompanied by increased sensitivity dispersion (adversarial fragility), while weak prompt-gradient coupling leaves generation under-constrained (hallucination). Crucially, this bound is modulated by an input-gradient correlation channel, captured by a specifically designed single-backward probe. In vision, masking highly coupled components improves robustness without costly adversarial training; in language, the same prefill-stage probe detects hallucination risk before generating any answer tokens. NUP thus turns two seemingly separate failure taxonomies into a shared uncertainty-budget view and provides a principled lens for reliability analysis. Guided by this NUP theory, we propose ConjMask (masking high-contribution input components) and LogitReg (logit-side regularization) to improve robustness without adversarial training, and use the probe as a decoding-free risk signal for LLMs, enabling hallucination detection and prompt selection. NUP thus provides a unified, practical framework for diagnosing and mitigating boundary anomalies across perception and generation tasks.
Authors: Woosung Koh, Jeyoung Jeon, Youngjin Song, Yujin Cheon, Soowon Oh, Jaehyeong Choi, Se-Young Yun
Abstract: Current language model training commonly applies multi-task Supervised Fine-Tuning (SFT) using a homogeneous compute budget across all sub-datasets. This approach is fundamentally sub-optimal: heterogeneous learning dynamics cause faster-learning tasks to overfit early while slower ones remain under-fitted. To address this, we introduce mSFT, an iterative, overfitting-aware search algorithm for multi-task data mixtures. mSFT trains the model on an active mixture, identifies and excludes the earliest overfitting sub-dataset, and reverts to that specific optimal checkpoint before continuing. Extensive evaluations demonstrate that mSFT consistently outperforms 4 baselines across 10 benchmarks and 6 base models. Further analysis confirms mSFT maintains robust gains across diverse dataset sizes, task granularities, and is insensitive to its single new hyperparameter (compute budget). Notably, at low compute budget, mSFT can improve performance while lowering training FLOPs. Ultimately, mSFT establishes a practical overfitting-aware algorithm for multi-task SFT that maximizes the potential of models across diverse data mixtures.
Authors: Xinyu Lu, Kaiqi Zhang, Jinglin Yang, Boxi Cao, Yaojie Lu, Hongyu Lin, Min He, Xianpei Han, Le Sun
Abstract: Reinforcement Learning with Verifiable Rewards (RLVR) has emerged as a powerful paradigm for enhancing the reasoning capabilities of Large Language Models (LLMs). However, vanilla RLVR suffers from inefficient exploration, particularly when confronting "hard samples" that yield nearzero success rates. In such scenarios, the reliance on sparse outcome rewards typically results in zero-advantage estimates, effectively starving the model of supervision signals despite the high informational value of these instances. To address this, we propose P^2O, a novel framework that synergizes Prompt Optimization with Policy Optimization. P^2O identifies hard samples during training iterations and leverages the GeneticPareto (GEPA) prompt optimization algorithm to evolve prompt templates that guide the model toward discovering successful trajectories. Crucially, unlike traditional prompt engineering methods that rely on input augmentation, P^2O distills the reasoning gains induced by these optimized prompts directly into the model parameters. This mechanism provides denser positive supervision signals for hard samples and accelerates convergence. Extensive experiments demonstrate that P^2O not only achieves superior performance on in-distribution datasets but also exhibits strong generalization, yielding substantial improvements on out-of-distribution benchmarks (+4.7% avg.).
Authors: Davide Di Gioia
Abstract: Autonomous agents operating in continuous environments must decide not only what to do, but when to act. We introduce a lightweight adaptive temporal control system that learns the optimal interval between cognitive ticks from experience, replacing ad hoc biologically inspired timers with a principled learned policy. The policy state is augmented with a predictive hyperbolic spread signal (a "curvature signal" shorthand) derived from hyperbolic geometry: the mean pairwise Poincare distance among n sampled futures embedded in the Poincare ball. High spread indicates a branching, uncertain future and drives the agent to act sooner; low spread signals predictability and permits longer rest intervals. We further propose an interval-aware reward that explicitly penalises inefficiency relative to the chosen wait time, correcting a systematic credit-assignment failure of naive outcome-based rewards in timing problems. We additionally introduce a joint spatio-temporal embedding (ATCPG-ST) that concatenates independently normalised state and position projections in the Poincare ball; spatial trajectory divergence provides an independent timing signal unavailable to the state-only variant (ATCPG-SO). This extension raises mean hyperbolic spread (kappa) from 1.88 to 3.37 and yields a further 5.8 percent efficiency gain over the state-only baseline. Ablation experiments across five random seeds demonstrate that (i) learning is the dominant efficiency factor (54.8 percent over no-learning), (ii) hyperbolic spread provides significant complementary gain (26.2 percent over geometry-free control), (iii) the combined system achieves 22.8 percent efficiency over the fixed-interval baseline, and (iv) adding spatial position information to the spread embedding yields an additional 5.8 percent.
Authors: Xinhang Chen, Zhihuan Wei, Yang Hu, Zhiguo Zeng, Kang Zeng, Wei Wang
Abstract: Real-world aircraft health diagnosis requires balancing accuracy with computational constraints under extreme class imbalance and environmental uncertainty. This paper presents an engineering application of heterogeneous task decomposition for deployable intelligent fault diagnosis. The proposed Long-Micro Scale Diagnostician (LMSD) explicitly decouples global anomaly detection (full-sequence attention) from micro-scale fault classification (restricted receptive fields), resolving the receptive field paradox while minimizing training overhead. A knowledge distillation-based interpretability module provides physically traceable explanations for safety-critical validation. Experiments on the public National General Aviation Flight Information Database (NGAFID) dataset (28,935 flights, 36 categories) demonstrate 4-8% improvement in safety-critical metrics (MCWPM) with 4.2 times training acceleration and 46\% model compression compared to end-to-end baselines, substantiating deployability in resource-constrained aviation environments.
Authors: Yutang Ge, Yaning Cui, Hanzheng Li, Jun-Jie Wang, Fanjie Xu, Jinhan Dong, Yongqi Jin, Dongxu Cui, Peng Jin, Guojiang Zhao, Hengxing Cai, Rong Zhu, Linfeng Zhang, Xiaohong Ji, Zhifeng Gao
Abstract: Intelligent spectroscopy serves as a pivotal element in AI-driven closed-loop scientific discovery, functioning as the critical bridge between matter structure and artificial intelligence. However, conventional expert-dependent spectral interpretation encounters substantial hurdles, including susceptibility to human bias and error, dependence on limited specialized expertise, and variability across interpreters. To address these challenges, we propose SpecXMaster, an intelligent framework leveraging Agentic Reinforcement Learning (RL) for NMR molecular spectral interpretation. SpecXMaster enables automated extraction of multiplicity information from both 1H and 13C spectra directly from raw FID (free induction decay) data. This end-to-end pipeline enables fully automated interpretation of NMR spectra into chemical structures. It demonstrates superior performance across multiple public NMR interpretation benchmarks and has been refined through iterative evaluations by professional chemical spectroscopists. We believe that SpecXMaster, as a novel methodological paradigm for spectral interpretation, will have a profound impact on the organic chemistry community.
Authors: Nobuyuki Ota
Abstract: Biological AI models increasingly predict complex cellular responses, yet their learned representations remain disconnected from the molecular processes they aim to capture. We present CDT-III, which extends mechanism-oriented AI across the full central dogma: DNA, RNA, and protein. Its two-stage Virtual Cell Embedder architecture mirrors the spatial compartmentalization of the cell: VCE-N models transcription in the nucleus and VCE-C models translation in the cytosol. On five held-out genes, CDT-III achieves per-gene RNA r=0.843 and protein r=0.969. Adding protein prediction improves RNA performance (r=0.804 to 0.843), demonstrating that downstream tasks regularize upstream representations. Protein supervision sharpens DNA-level interpretability, increasing CTCF enrichment by 30%. Analysis of experimentally measured mRNA and protein responses reveals that the majority of genes with observable mRNA changes show opposite protein-level changes (66.7% at |log2FC|>0.01, rising to 87.5% at |log2FC|>0.02), exposing a fundamental limitation of RNA-only perturbation models. Despite this pervasive direction discordance, CDT-III correctly predicts both mRNA and protein responses. Applied to in silico CD52 knockdown approximating Alemtuzumab, the model predicts 29/29 protein changes correctly and rediscovers 5 of 7 known clinical side effects without clinical data. Gradient-based side effect profiling requires only unperturbed baseline data (r=0.939), enabling screening of all 2,361 genes without new experiments.
Authors: Aueaphum Aueawatthanaphisut, Kuepon Auewattanapisut
Abstract: Adapting large-scale foundation models to new domains with limited supervision remains a fundamental challenge due to latent distribution mismatch, unstable optimization dynamics, and miscalibrated uncertainty propagation. This paper introduces an uncertainty-aware probabilistic latent transport framework that formulates domain adaptation as a stochastic geometric alignment problem in representation space. A Bayesian transport operator is proposed to redistribute latent probability mass along Wasserstein-type geodesic trajectories, while a PAC-Bayesian regularization mechanism constrains posterior model complexity to mitigate catastrophic overfitting. The proposed formulation yields theoretical guarantees on convergence stability, loss landscape smoothness, and sample efficiency under distributional shift. Empirical analyses demonstrate substantial reduction in latent manifold discrepancy, accelerated transport energy decay, and improved covariance calibration compared with deterministic fine-tuning and adversarial domain adaptation baselines. Furthermore, bounded posterior uncertainty evolution indicates enhanced probabilistic reliability during cross-domain transfer. By establishing a principled connection between stochastic optimal transport geometry and statistical generalization theory, the proposed framework provides new insights into robust adaptation of modern foundation architectures operating in heterogeneous environments. These findings suggest that uncertainty-aware probabilistic alignment constitutes a promising paradigm for reliable transfer learning in next-generation deep representation systems.
Authors: Abiy Tasissa, Emmanouil Theodosis, Bahareh Tolooshams, Demba Ba
Abstract: Discriminative features extracted from the sparse coding model have been shown to perform well for classification. Recent deep learning architectures have further improved reconstruction in inverse problems by considering new dense priors learned from data. We propose a novel dense and sparse coding model that integrates both representation capability and discriminative features. The model studies the problem of recovering a dense vector $\mathbf{x}$ and a sparse vector $\mathbf{u}$ given measurements of the form $\mathbf{y} = \mathbf{A}\mathbf{x}+\mathbf{B}\mathbf{u}$. Our first analysis relies on a geometric condition, specifically the minimal angle between the spanning subspaces of matrices $\mathbf{A}$ and $\mathbf{B}$, which ensures a unique solution to the model. The second analysis shows that, under some conditions on $\mathbf{A}$ and $\mathbf{B}$, a convex program recovers the dense and sparse components. We validate the effectiveness of the model on simulated data and propose a dense and sparse autoencoder (DenSaE) tailored to learning the dictionaries from the dense and sparse model. We demonstrate that (i) DenSaE denoises natural images better than architectures derived from the sparse coding model ($\mathbf{B}\mathbf{u}$), (ii) in the presence of noise, training the biases in the latter amounts to implicitly learning the $\mathbf{A}\mathbf{x} + \mathbf{B}\mathbf{u}$ model, (iii) $\mathbf{A}$ and $\mathbf{B}$ capture low- and high-frequency contents, respectively, and (iv) compared to the sparse coding model, DenSaE offers a balance between discriminative power and representation.
Authors: Bariscan Bozkurt, Cengiz Pehlevan, Alper T Erdogan
Abstract: The backpropagation algorithm has experienced remarkable success in training large-scale artificial neural networks; however, its biological plausibility has been strongly criticized, and it remains an open question whether the brain employs supervised learning mechanisms akin to it. Here, we propose correlative information maximization between layer activations as an alternative normative approach to describe the signal propagation in biological neural networks in both forward and backward directions. This new framework addresses many concerns about the biological-plausibility of conventional artificial neural networks and the backpropagation algorithm. The coordinate descent-based optimization of the corresponding objective, combined with the mean square error loss function for fitting labeled supervision data, gives rise to a neural network structure that emulates a more biologically realistic network of multi-compartment pyramidal neurons with dendritic processing and lateral inhibitory neurons. Furthermore, our approach provides a natural resolution to the weight symmetry problem between forward and backward signal propagation paths, a significant critique against the plausibility of the conventional backpropagation algorithm. This is achieved by leveraging two alternative, yet equivalent forms of the correlative mutual information objective. These alternatives intrinsically lead to forward and backward prediction networks without weight symmetry issues, providing a compelling solution to this long-standing challenge.
Authors: Katherine Crowson, Stefan Andreas Baumann, Alex Birch, Tanishq Mathew Abraham, Daniel Z. Kaplan, Enrico Shippole
Abstract: We present the Hourglass Diffusion Transformer (HDiT), an image generative model that exhibits linear scaling with pixel count, supporting training at high-resolution (e.g. $1024 \times 1024$) directly in pixel-space. Building on the Transformer architecture, which is known to scale to billions of parameters, it bridges the gap between the efficiency of convolutional U-Nets and the scalability of Transformers. HDiT trains successfully without typical high-resolution training techniques such as multiscale architectures, latent autoencoders or self-conditioning. We demonstrate that HDiT performs competitively with existing models on ImageNet $256^2$, and sets a new state-of-the-art for diffusion models on FFHQ-$1024^2$.
Authors: Valerio Terragni, Annie Vella, Partha Roop, Kelly Blincoe
Abstract: A paradigm shift is underway in Software Engineering, with AI systems such as LLMs playing an increasingly important role in boosting software development productivity. This trend is anticipated to persist. In the next years, we expect a growing symbiotic partnership between human software developers and AI. The Software Engineering research community cannot afford to overlook this trend; we must address the key research challenges posed by the integration of AI into the software development process. In this paper, we present our vision of the future of software development in an AI-driven world and explore the key challenges that our research community should address to realize this vision.
Authors: Ekaterina Trofimova, Emil Sataev, Abhijit Singh Jowhari
Abstract: This paper presents CodeRefine, a novel framework for automatically transforming research paper methodologies into functional code using Large Language Models (LLMs). Our multi-step approach first extracts and summarizes key text chunks from papers, analyzes their code relevance, and creates a knowledge graph using a predefined ontology. Code is then generated from this structured representation and enhanced through a proposed retrospective retrieval-augmented generation approach. CodeRefine addresses the challenge of bridging theoretical research and practical implementation, offering a more accurate alternative to LLM zero-shot prompting. Evaluations on diverse scientific papers demonstrate CodeRefine's ability to improve code implementation from the paper, potentially accelerating the adoption of cutting-edge algorithms in real-world applications.
Authors: Zerui Xu, Fang Wu, Yingzhou Lu, Yuanyuan Zhang, Yue Zhao
Abstract: Machine learning (ML) holds great promise for clinical applications but is often hindered by limited access to high-quality data due to privacy concerns, high costs, and long timelines associated with clinical trials. While large language models (LLMs) have demonstrated strong performance in general-purpose generation tasks, their application to synthesizing realistic clinical trials remains underexplored. In this work, we propose a novel Retrieval-Reasoning framework that leverages few-shot prompting with LLMs to generate synthetic clinical trial reports annotated with binary success/failure outcomes. Our approach integrates a retrieval module to ground the generation on relevant trial data and a reasoning module to ensure domain-consistent justifications. Experiments conducted on real clinical trials from the ClinicalTrials.gov database demonstrate that the generated synthetic trials effectively augment real datasets. Fine-tuning a BioBERT classifier on synthetic data, real data, or their combination shows that hybrid fine-tuning leads to improved performance on clinical trial outcome prediction tasks. Our results suggest that LLM-based synthetic data can serve as a powerful tool for privacy-preserving data augmentation in clinical research. The code is available at https://github.com/XuZR3x/Retrieval_Reasoning_Clinical_Trial_Generation.
URLs: https://github.com/XuZR3x/Retrieval_Reasoning_Clinical_Trial_Generation.
Authors: Jipeng Han
Abstract: Contributions to AI: This paper proposes a neuro-symbolic search architecture integrating discrete rule-based logic with lightweight Neural Network Feedback Control (NNFC). Utilizing cascade filtering to isolate neural mispredictions while dynamically compensating for static heuristic biases, the framework theoretically guarantees search stability and efficiency in massive discrete state spaces. Contributions to Engineering Applications: The framework provides a scalable, divide-and-conquer solution coordinating heterogeneous rule-sets in knowledge-intensive industrial systems (e.g., multi-domain relational inference and symbolic derivation), eliminating maintenance bottlenecks and state-space explosion of monolithic reasoning engines. Modern industrial AI requires dynamic orchestration of modular domain logic, yet reliable cross-domain rule management remains lacking. We address this with Chain-Oriented Objective Logic (COOL), a high-performance neuro-symbolic framework introducing: (1) Chain-of-Logic (CoL), a divide-and-conquer paradigm partitioning complex reasoning into expert-guided, hierarchical sub-DSLs via runtime keywords; and (2) Neural Network Feedback Control (NNFC), a self-correcting mechanism using lightweight agents and a cascade filtering architecture to suppress erroneous predictions and ensure industrial-grade reliability. Theoretical analysis establishes complexity bounds and Lyapunov stability. Ablation studies on relational and symbolic tasks show CoL achieves 100% accuracy (70% improvement), reducing tree operations by 91% and accelerating execution by 95%. Under adversarial drift and forgetting, NNFC further improves accuracy and reduces computational cost by 64%.
Authors: Pablo de los Riscos, Fernando J. Corbacho
Abstract: Artificial General Intelligence (AGI) Agents and Robots must be able to cope with everchanging environments and tasks. They must be able to actively construct new internal causal models of their interactions with the environment when new structural changes take place in the environment. Thus, we claim that active causal structure learning with latent variables (ACSLWL) is a necessary component to build AGI agents and robots. This paper describes how a complex planning and expectation-based detour behavior can be learned by ACSLWL when, unexpectedly, and for the first time, the simulated robot encounters a sort of transparent barrier in its pathway towards its target. ACSWL consists of acting in the environment, discovering new causal relations, constructing new causal models, exploiting the causal models to maximize its expected utility, detecting possible latent variables when unexpected observations occur, and constructing new structures-internal causal models and optimal estimation of the associated parameters, to be able to cope efficiently with the new encountered situations. That is, the agent must be able to construct new causal internal models that transform a previously unexpected and inefficient (sub-optimal) situation, into a predictable situation with an optimal operating plan.
Authors: Ke Liang Xiao, Noah Marshall, Atish Agarwala, Elliot Paquette
Abstract: In recent years, signSGD has garnered interest as both a practical optimizer as well as a simple model to understand adaptive optimizers like Adam. Though there is a general consensus that signSGD acts to precondition optimization and reshapes noise, quantitatively understanding these effects in theoretically solvable settings remains difficult. We present an analysis of signSGD in a high dimensional limit, and derive a limiting SDE and ODE to describe the risk. Using this framework we quantify four effects of signSGD: effective learning rate, noise compression, diagonal preconditioning, and gradient noise reshaping. Our analysis is consistent with experimental observations but moves beyond that by quantifying the dependence of these effects on the data and noise distributions. We conclude with a conjecture on how these results might be extended to Adam.
Authors: Andrea Della Vecchia, Damir Filipovic, Paul Schneider
Abstract: We introduce kernel density machines (KDM), an agnostic kernel-based framework for learning the Radon-Nikodym derivative (density) between probability measures under minimal assumptions. KDM applies to general measurable spaces and avoids the structural requirements common in classical nonparametric density estimators. We construct a sample estimator and prove its consistency and a functional central limit theorem. To enable scalability, we develop Nystrom-type low-rank approximations and derive optimal error rates, filling a gap in the literature where such guarantees for density learning have been missing. We demonstrate the versatility of KDM through applications to kernel-based two-sample testing and conditional distribution estimation, the latter enjoying dimension-free guarantees beyond those of locally smoothed methods. Experiments on simulated and real data show that KDM is accurate, scalable, and competitive across a range of tasks.
Authors: Andr\'e Silva, Gustav Thor\'en, Martin Monperrus
Abstract: Automatic program repair seeks to generate correct code from buggy programs, with most approaches searching the correct program in a discrete, symbolic space of source code tokens. This symbolic search is fundamentally limited by its inability to directly reason about program behavior. We introduce Gradient-Based Program Repair (GBPR), a new approach that recasts program repair as continuous optimization in a differentiable numerical program space. Our core insight is to compile symbolic programs into differentiable numerical representations, enabling search in the numerical program space directly guided by program behavior. To evaluate GBPR, we present RaspBugs, a new benchmark of 1,466 buggy symbolic RASP programs and their respective numerical representations. Our experiments demonstrate that GBPR can effectively repair buggy symbolic programs by gradient-based optimization in the numerical program space, with convincing repair trajectories. To our knowledge, we are the first to state program repair as continuous optimization in a numerical program space. Our work demonstrates the feasibility of this direction for program repair research, bridging continuous optimization and program behavior.
Authors: Daniel Barzilai, Ohad Shamir
Abstract: The widespread use of generative models has created a feedback loop, in which each generation of models is trained on data partially produced by its predecessors. This process has raised concerns about model collapse: A critical degradation in performance caused by repeated training on synthetic data. However, different analyses in the literature have reached different conclusions as to the severity of model collapse. As such, it remains unclear how concerning this phenomenon is, and under which assumptions it can be avoided. To address this, we theoretically study model collapse for maximum likelihood estimation (MLE), in a natural setting where synthetic data is gradually added to the original data set. Under standard assumptions (similar to those long used for proving asymptotic consistency and normality of MLE), we establish non-asymptotic bounds showing that collapse can be avoided even as the fraction of real data vanishes. On the other hand, we prove that some assumptions (beyond MLE consistency) are indeed necessary: Without them, model collapse can occur arbitrarily quickly, even when the original data is still present in the training set. To the best of our knowledge, these are the first rigorous examples of iterative generative modeling with accumulating data that rapidly leads to model collapse.
Authors: Chika Maduabuchi, Hao Chen, Yujin Han, Jindong Wang
Abstract: Latent Video Diffusion Models (LVDMs) have achieved state-of-the-art generative quality for image and video generation; however, they remain brittle under noisy conditioning, where small perturbations in text or multimodal embeddings can cascade over timesteps and cause semantic drift. Existing corruption strategies from image diffusion (Gaussian, Uniform) fail in video settings because static noise disrupts temporal fidelity. In this paper, we propose CAT-LVDM, a corruption-aware training framework with structured, data-aligned noise injection tailored for video diffusion. Our two operators, Batch-Centered Noise Injection (BCNI) and Spectrum-Aware Contextual Noise (SACN), align perturbations with batch semantics or spectral dynamics to preserve coherence. CAT-LVDM yields substantial gains: BCNI reduces FVD by 31.9 percent on WebVid-2M, MSR-VTT, and MSVD, while SACN improves UCF-101 by 12.3 percent, outperforming Gaussian, Uniform, and even large diffusion baselines like DEMO (2.3B) and Lavie (3B) despite training on 5x less data. Ablations confirm the unique value of low-rank, data-aligned noise, and theory establishes why these operators tighten robustness and generalization bounds. CAT-LVDM thus sets a new framework for robust video diffusion, and our experiments show that it can also be extended to autoregressive generation and multimodal video understanding LLMs. Code, models, and samples are available at https://github.com/chikap421/catlvdm
Authors: Yuwen Tan, Yuan Qing, Boqing Gong
Abstract: This paper reveals that many open-source large language models (LLMs) lack hierarchical knowledge about our visual world, unaware of even well-established biology taxonomies. This shortcoming makes LLMs a bottleneck for vision LLMs' hierarchical visual recognition (e.g., recognizing Anemone Fish but not Vertebrate). We arrive at these findings using about one million four-choice visual question answering (VQA) tasks constructed from six taxonomies and four image datasets. Interestingly, finetuning a vision LLM using our VQA tasks reaffirms LLMs' bottleneck effect because the VQA tasks improve the LLMs' hierarchical consistency more than the vision LLMs'. We conjecture that one cannot make open-source vision LLMs understand visual concepts hierarchically until LLMs possess corresponding taxonomy knowledge.
Authors: Vitoria Guardieiro, Avishree Khare, Adam Stein, Eric Wong
Abstract: Large language models' behavior is often shaped by instructions such as system prompts, refusal boundaries, privacy constraints, and tool-use rules that must hold at inference time. Yet in practice these constraints can be violated under long contexts or when user-provided context conflicts with them, creating reliability and safety risks. This motivates inference-time interventions that strengthen instruction influence without retraining. One such intervention is attention steering, which biases attention toward instruction tokens. In this work, we present a unifying theory for attention steering methods by formalizing instruction following as rule-based competition between instruction rules and context-derived rules, with attention mediating which rules dominate. We prove that boosting attention to instruction tokens tilts this competition, making it harder for context to override instruction-following. However, excessive boosting can suppress task-relevant context that should be incorporated alongside the instruction. Guided by this theory, we propose Instruction Attention Boosting (InstABoost), a simple intervention that applies a constant additive bias to instruction-key attention logits across all layers and heads. We evaluate InstABoost against prompting, latent steering, and prior attention steering methods across 15 tasks. InstABoost matches or outperforms all baselines while avoiding the fluency collapse of latent methods and the instruction over-focus of prior attention methods, achieving a stronger steering-quality tradeoff.
Authors: Hassan Baker, Austin J. Brockmeier
Abstract: Detecting brain lesions as abnormalities observed in magnetic resonance imaging (MRI) is essential for diagnosis and treatment. In the search of abnormalities, such as tumors and malformations, radiologists may benefit from computer-aided diagnostics that use computer vision systems trained with machine learning to segment normal tissue from abnormal brain tissue. While supervised learning methods require annotated lesions, we propose a new unsupervised approach (Patch2Loc) that learns from normal patches taken from structural MRI. We train a neural network model to map a patch back to its spatial location within a slice of the brain volume. During inference, abnormal patches are detected by the relatively higher error and/or variance of the location prediction. This generates a heatmap that can be integrated into pixel-wise methods to achieve finer-grained segmentation. We demonstrate the ability of our model to segment abnormal brain tissues by applying our approach to the detection of tumor tissues in MRI on T2-weighted images from BraTS2021 and MSLUB datasets and T1-weighted images from ATLAS and WMH datasets. We show that it outperforms the state-of-the art in unsupervised segmentation. The implementation for this work can be found on our \href{https://github.com/bakerhassan/Patch2Loc}{GitHub page}. This paper has been accepted at AISTATS 2026.
Authors: Utkarsh Singh, Jean-Fr\'ed\'eric Laprade, Aaron Z. Goldberg, Khabat Heshami
Abstract: Quantum processors may enhance machine learning by mapping high-dimensional data onto quantum systems for processing. Conventional feature maps, for encoding data onto a quantum circuit are currently impractical, as the number of entangling gates scales quadratically with the dimension of the dataset and the number of qubits. In this work, we introduce a quantum feature map designed to handle high-dimensional data with a significantly reduced number of qubits and entangling operations. Our approach preserves essential data characteristics while promoting computational efficiency, as evidenced by extensive experiments on benchmark datasets that demonstrate a marked improvement in both accuracy and resource utilization when using our feature map as a kernel for characterization, as compared to state-of-the-art quantum feature maps. Our noisy simulation results, combined with lower resource requirements, highlight our map's ability to function within the constraints of noisy intermediate-scale quantum devices. Through numerical simulations and small-scale implementation on a superconducting circuit quantum computing platform, we demonstrate that our scheme performs on par or better than a set of classical algorithms for classification. While quantum kernels are typically stymied by exponential concentration, our approach is affected with a slower rate with respect to both the number of qubits and features, which allows practical applications to remain within reach. Our findings herald a promising avenue for the practical implementation of quantum machine learning algorithms on near future quantum computing platforms.
Authors: Xander de Wit, Alessandro Gabbana, Michael Woodward, Yen Ting Lin, Federico Toschi, Daniel Livescu
Abstract: The dynamics of Lagrangian particles in turbulence play a crucial role in mixing, transport, and dispersion in complex flows. Their trajectories exhibit highly non-trivial statistical behavior, motivating the development of surrogate models that can reproduce these trajectories without incurring the high computational cost of direct numerical simulations of the full Eulerian field. This task is particularly challenging because reduced-order models typically lack access to the full set of interactions with the underlying turbulent field. Novel data-driven machine learning techniques can be powerful in capturing and reproducing complex statistics of the reduced-order/surrogate dynamics. In this work, we show how one can learn a surrogate dynamical system that is able to evolve a turbulent Lagrangian trajectory in a way that is point-wise accurate for short-time predictions (with respect to Kolmogorov time) and stable and statistically accurate at long times. This approach is based on the Mori-Zwanzig formalism, which prescribes a mathematical decomposition of the full dynamical system into resolved dynamics that depend on the current state and the past history of a reduced set of observables, and the unresolved orthogonal dynamics due to unresolved degrees of freedom of the initial state. We show how by training this reduced order model on a point-wise error metric on short time-prediction, we are able to correctly learn the dynamics of Lagrangian turbulence, such that also the long-time statistical behavior is stably recovered at test time. This opens up a range of new applications, for example, for the control of active Lagrangian agents in turbulence.
Authors: Daniel Daza, Alberto Bernardi, Luca Costabello, Christophe Gueret, Masoud Mansoury, Michael Cochez, Martijn Schut
Abstract: Methods for query answering over incomplete knowledge graphs retrieve entities that are \emph{likely} to be answers, which is particularly useful when such answers cannot be reached by direct graph traversal due to missing edges. However, existing approaches have focused on queries formalized using first-order-logic. In practice, many real-world queries involve constraints that are inherently vague or context-dependent, such as preferences for attributes or related categories. Addressing this gap, we introduce the problem of query answering with soft constraints. We formalize the problem and introduce two efficient methods designed to adjust query answer scores by incorporating soft constraints without disrupting the original answers to a query. These methods are lightweight, requiring tuning only two parameters or a small neural network trained to capture soft constraints while maintaining the original ranking structure. To evaluate the task, we extend existing QA benchmarks by generating datasets with soft constraints. Our experiments demonstrate that our methods can capture soft constraints while maintaining robust query answering performance and adding very little overhead. With our work, we explore a new and flexible way to interact with graph databases that allows users to specify their preferences by providing examples interactively.
Authors: Mengmeng Li, Philipp J. Schneider, Jelisaveta Aleksi\'c, Daniel Kuhn
Abstract: We introduce the first best-of-both-worlds algorithm for contextual combinatorial semi-bandits that simultaneously guarantees $\widetilde{\mathcal{O}}(\sqrt{T})$ regret in the adversarial regime and $\widetilde{\mathcal{O}}(\ln T)$ regret in the corrupted stochastic regime. Our approach builds on the Follow-the-Regularized-Leader (FTRL) framework equipped with a Shannon entropy regularizer, yielding a flexible method that admits efficient implementations. Beyond regret bounds, we tackle the practical bottleneck in FTRL (or, equivalently, Online Stochastic Mirror Descent) arising from the high-dimensional projection step encountered in each round of interaction. By leveraging the Karush-Kuhn-Tucker conditions, we transform the $K$-dimensional convex projection problem into a single-variable root-finding problem, dramatically accelerating each round. Empirical evaluations demonstrate that this combined strategy not only attains the attractive regret bounds of best-of-both-worlds algorithms but also delivers substantial per-round speed-ups, making it well-suited for large-scale, real-time applications.
Authors: Dejan Stancevic, Luca Ambrogioni
Abstract: Generative diffusion models have emerged as a powerful class of models in machine learning, yet a unified theoretical understanding of their operation is still developing. This paper provides an integrated perspective on generative diffusion by connecting the information-theoretic, dynamical, and thermodynamic aspects. We demonstrate that the rate of conditional entropy production during generation (i.e., the generative bandwidth) is directly governed by the expected divergence of the score function's vector field. This divergence, in turn, is linked to the branching of trajectories and generative bifurcations, which we characterize as symmetry-breaking phase transitions in the energy landscape. Beyond ensemble averages, we demonstrate that symmetry-breaking decisions are revealed by peaks in the variance of pathwise conditional entropy, capturing heterogeneity in how individual trajectories resolve uncertainty. Together, these results establish generative diffusion as a process of controlled, noise-induced symmetry breaking, in which the score function acts as a dynamic nonlinear filter that regulates both the rate and variability of information flow from noise to data.
Authors: Eric Enouen, Sainyam Galhotra
Abstract: Concept Bottleneck Models (CBMs) use a set of human-interpretable concepts to predict the final task label, enabling domain experts to not only validate the CBM's predictions, but also intervene on incorrect concepts at test time. However, these interventions fail to address systemic misalignment between the CBM and the expert's reasoning, such as when the model learns shortcuts from biased data. To address this, we present a general interpretable debugging framework for CBMs that follows a two-step process of Removal and Retraining. In the Removal step, experts use concept explanations to identify and remove any undesired concepts. In the Retraining step, we introduce CBDebug, a novel method that leverages the interpretability of CBMs as a bridge for converting concept-level user feedback into sample-level auxiliary labels. These labels are then used to apply supervised bias mitigation and targeted augmentation, reducing the model's reliance on undesired concepts. We evaluate our framework with both real and automated expert feedback, and find that CBDebug significantly outperforms prior retraining methods across multiple CBM architectures (PIP-Net, Post-hoc CBM) and benchmarks with known spurious correlations.
Authors: Lipeng He, Vasisht Duddu, N. Asokan
Abstract: Chatbot service providers (e.g., OpenAI) rely on tiered subscription plans to generate revenue, offering black-box access to basic models for free users and advanced models to paying subscribers. However, this approach is unprofitable and inflexible for the users. A pay-to-unlock scheme for premium features (e.g., math, coding) offers a more sustainable alternative. Enabling such a scheme requires a feature-locking technique (FLoTE) that is (i) effective in refusing locked features, (ii) utility-preserving for unlocked features, (iii) robust against evasion or unauthorized credential sharing, and (iv) scalable to multiple features and clients. Existing FLoTEs (e.g., password-locked models) fail to meet these criteria. To fill this gap, we present Locket, the first robust and scalable FLoTE to enable pay-to-unlock schemes. We develop a framework for adversarial training and merging of feature-locking adapters, which enables Locket to selectively enable or disable specific features of a model. Evaluation shows that Locket is effective ($100$% refusal rate), utility-preserving ($\leq 7$% utility degradation), robust ($\leq 5$% attack success rate), and scalable to multiple features and clients.
Authors: Jacob K. Christopher, Austin Seamann, Jingyi Cui, Sagar Khare, Ferdinando Fioretto
Abstract: Diffusion models offer a powerful means of capturing the manifold of realistic protein structures, enabling rapid design for protein engineering tasks. However, existing approaches observe critical failure modes when precise constraints are necessary for functional design. To this end, we present a constrained diffusion framework for structure-guided protein design, ensuring strict adherence to functional requirements while maintaining precise stereochemical and geometric feasibility. The approach integrates proximal feasibility updates with ADMM decomposition into the generative process, scaling effectively to the complex constraint sets of this domain. We evaluate on challenging protein design tasks, including motif scaffolding and vacancy-constrained pocket design, while introducing a novel curated benchmark dataset for motif scaffolding in the PDZ domain. Our approach achieves state-of-the-art, providing perfect satisfaction of bonding and geometric constraints with no degradation in structural diversity.
Authors: Zhimin Chen, Chenyu Zhao, Ka Chun Mo, Yunjiang Jiang, Jane H. Lee, Khushhall Chandra Mahajan, Ning Jiang, Kai Ren, Jinhui Li, Wen-Yun Yang
Abstract: Modern large-scale recommendation systems rely heavily on user interaction history sequences to enhance the model performance. The advent of large language models and sequential modeling techniques, particularly transformer-like architectures, has led to significant advancements recently (e.g., HSTU, SIM, and TWIN models). While scaling to ultra-long user histories (10k to 100k items) generally improves model performance, it also creates significant challenges on latency, queries per second (QPS) and GPU cost in industry-scale recommendation systems. Existing models do not adequately address these industrial scalability issues. In this paper, we propose a novel two-stage modeling framework, namely VIrtual Sequential Target Attention (VISTA), which decomposes traditional target attention from a candidate item to user history items into two distinct stages: (1) user history summarization into a few hundred tokens; followed by (2) candidate item attention to those tokens. These summarization token embeddings are then cached in storage system and then utilized as sequence features for downstream model training and inference. This novel design for scalability enables VISTA to scale to lifelong user histories (up to one million items) while keeping downstream training and inference costs fixed, which is essential in industry. Our approach achieves significant improvements in offline and online metrics and has been successfully deployed on an industry leading recommendation platform serving billions of users.
Authors: Sander Hummerich, Tristan Bereau, Ullrich K\"othe
Abstract: By reducing resolution, coarse-grained models greatly accelerate molecular simulations, unlocking access to long-timescale phenomena, though at the expense of microscopic information. Recovering this fine-grained detail is essential for tasks that depend on atomistic accuracy, making backmapping a central challenge in molecular modeling. We introduce split-flows, a novel flow-based approach that reinterprets backmapping as a continuous-time measure transport across resolutions. Unlike existing generative strategies, split-flows establish a direct probabilistic link between resolutions, enabling expressive conditional sampling of atomistic structures and -- for the first time -- a tractable route to computing mapping entropies, an information-theoretic measure of the irreducible detail lost in coarse-graining. We demonstrate these capabilities on diverse molecular systems, including chignolin, a lipid bilayer, and alanine dipeptide, highlighting split-flows as a principled framework for accurate backmapping and systematic evaluation of coarse-grained models.
Authors: Hao Zhu, Jasper Hoffmann, Baohe Zhang, Joschka Boedecker
Abstract: We consider the problem of fitting a reinforcement learning (RL) model to some given behavioral data under a multi-armed bandit environment. These models have received much attention in recent years for characterizing human and animal decision making behavior. We provide a generic mathematical optimization problem formulation for the fitting problem of a wide range of RL models that appear frequently in scientific research applications. We then provide a detailed theoretical analysis of its convexity properties. Based on the theoretical results, we introduce a novel solution method for the fitting problem of RL models based on convex relaxation and optimization. Our method is then evaluated in several simulated and real-world bandit environments to compare with some benchmark methods that appear in the literature. Numerical results indicate that our method achieves comparable performance to the state-of-the-art, while significantly reducing computation time. We also provide an open-source Python package for our proposed method to empower researchers to apply it in the analysis of their datasets directly, without prior knowledge of convex optimization.
Authors: Rickmer Krohn, Vignesh Prasad, Gabriele Tiboni, Georgia Chalvatzaki
Abstract: Effective contact-rich manipulation requires robots to synergistically leverage vision, force, and proprioception. However, Reinforcement Learning agents struggle to learn in such multisensory settings, especially amidst sensory noise and dynamic changes. We propose MultiSensory Dynamic Pretraining (MSDP), a novel framework for learning expressive multisensory representations tailored for task-oriented policy learning. MSDP is based on masked autoencoding and trains a transformer-based encoder by reconstructing multisensory observations from only a subset of sensor embeddings, leading to cross-modal prediction and sensor fusion. For downstream policy learning, we introduce a novel asymmetric architecture, where a cross-attention mechanism allows the critic to extract dynamic, task-specific features from the frozen embeddings, while the actor receives a stable pooled representation to guide its actions. Our method demonstrates accelerated learning and robust performance under diverse perturbations, including sensor noise, and changes in object dynamics. Evaluations in multiple challenging, contact-rich robot manipulation tasks in simulation and the real world showcase the effectiveness of MSDP. Our approach exhibits strong robustness to perturbations and achieves high success rates on the real robot with as few as 6,000 online interactions, offering a simple yet powerful solution for complex multisensory robotic control. Website: https://msdp-pearl.github.io/
Authors: Guillaume Letellier (IIT Delhi), Siddharth Srivastava (IIT Delhi), Fr\'ed\'eric Jurie (IIT Kanpur), Gaurav Sharma (IIT Kanpur)
Abstract: Foundation models pre-trained with self-supervised learning (SSL) on large-scale datasets have become powerful general-purpose feature extractors. However, their immense size and computational cost make them prohibitive for deployment on edge devices such as robots and AR/VR headsets. Existing compression techniques like standard knowledge distillation create efficient 'specialist' models but sacrifice the crucial, downstream-agnostic generality that makes foundation models so valuable. In this paper, we introduce Foundation Model Distillation (FMD), a new paradigm for compressing large SSL models into compact, efficient, and faithful proxies that retain their general-purpose representational power. We present Foundry, the first implementation of FMD for 3D point clouds. Our approach, Foundry, trains a student to learn a compressed set of SuperTokens that reconstruct the teacher's token-level representations, capturing a compact basis of its latent space. A single distilled model maintains strong transferability across diverse downstream tasks-classification, part segmentation, and few-shot scenarios-approaching full foundation-model performance while using significantly fewer tokens and FLOPs, making such models more practical for deployment on resourceconstrained hardware.
Authors: Mehmet Efe Ak\c{c}a, G\"ok\c{c}e Uludo\u{g}an, Arzucan \"Ozg\"ur, \.Inci M. Bayta\c{s}
Abstract: Accurate prediction of protein function is essential for elucidating molecular mechanisms and advancing biological and therapeutic discovery. Yet experimental annotation lags far behind the rapid growth of protein sequence data. Computational approaches address this gap by associating proteins with Gene Ontology (GO) terms, which encode functional knowledge through hierarchical relations and textual definitions. However, existing models often emphasize one modality over the other, limiting their ability to generalize, particularly to unseen or newly introduced GO terms that frequently arise as the ontology evolves, and making the previously trained models outdated. We present STAR-GO, a Transformer-based framework that jointly models the semantic and structural characteristics of GO terms to enhance zero-shot protein function prediction. STAR-GO integrates textual definitions with ontology graph structure to learn unified GO representations, which are processed in hierarchical order to propagate information from general to specific terms. These representations are then aligned with protein sequence embeddings to capture sequence-function relationships. STAR-GO achieves state-of-the-art performance and superior zero-shot generalization, demonstrating the utility of integrating semantics and structure for robust and adaptable protein function prediction. Code is available at https://github.com/boun-tabi-lifelu/stargo.
Authors: Bangya Liu, Xinyu Gong, Zelin Zhao, Ziyang Song, Yulei Lu, Suhui Wu, Jun Zhang, Suman Banerjee, Hao Zhang
Abstract: Human-object interaction (HOI) video generation has garnered increasing attention due to its promising applications in digital humans, e-commerce, advertising, and robotics imitation learning. However, existing methods face two critical limitations: (1) a lack of effective mechanisms to inject multi-view information of the object into the model, leading to poor cross-view consistency, and (2) heavy reliance on fine-grained hand mesh annotations for modeling interaction occlusions. To address these challenges, we introduce ByteLoom, a Diffusion Transformer (DiT)-based framework that generates realistic HOI videos with geometrically consistent object illustration, using simplified human conditioning and 3D object inputs. We first propose an RCM-cache mechanism that leverages Relative Coordinate Maps (RCM) as a universal representation to maintain object's geometry consistency and precisely control 6-DoF object transformations in the meantime. To compensate HOI dataset scarcity and leverage existing datasets, we further design a training curriculum that enhances model capabilities in a progressive style and relaxes the demand of hand mesh. Extensive experiments demonstrate that our method faithfully preserves human identity and the object's multi-view geometry, while maintaining smooth motion and object manipulation.
Authors: EL Mahdi Khribch, Pierre Alquier
Abstract: We introduce the $\widetilde{\rho}$-posterior, a modified version of the $\rho$-posterior, obtained by replacing the supremum over competitor parameters with a softmax aggregation. This modification allows a PAC-Bayesian analysis of the $\widetilde{\rho}$-posterior. This yields finite-sample oracle inequalities with explicit convergence rates that inherit the key robustness properties of the original framework, in particular, graceful degradation under model misspecification and data contamination. Crucially, the PAC-Bayesian oracle inequalities extend to variational approximations of the $\widetilde{\rho}$-posterior, providing theoretical guarantees for tractable inference. Numerical experiments on exponential families, regression, and real-world datasets confirm that the resulting variational procedures achieve robustness competitive with theoretical predictions at computational cost comparable to standard variational Bayes.
Authors: Aqsa Sultana, Rayan Afsar, Ahmed Rahu, Surendra P. Singh, Brian Shula, Brandon Combs, Derrick Forchetti, Vijayan K. Asari
Abstract: Accurate risk stratification of precancerous polyps during routine colonoscopy screening is a key strategy to reduce the incidence of colorectal cancer (CRC). However, assessment of low-grade dysplasia remains limited by subjective histopathologic interpretation. Advances in computational pathology and deep learning offer new opportunities to identify subtle, fine morphologic patterns associated with malignant progression that may be imperceptible to the human eye. In this work, we propose XtraLight-MedMamba, an ultra-lightweight state-space-based deep learning framework to classify neoplastic tubular adenomas from whole-slide images (WSIs). The architecture is a blend of a ConvNeXt-based shallow feature extractor with parallel vision mamba blocks to efficiently model local texture cues within global contextual structure. An integration of the Spatial and Channel Attention Bridge (SCAB) module enhances multiscale feature extraction, while the Fixed Non-Negative Orthogonal Classifier (FNOClassifier) enables substantial parameter reduction and improved generalization. The model was evaluated on a curated dataset acquired from patients with low-grade tubular adenomas, stratified into case and control cohorts based on subsequent CRC development. XtraLight-MedMamba achieved an accuracy of 97.18\% and an F1-score of 0.9767 using approximately 32,000 parameters, outperforming transformer-based and conventional Mamba architectures, which have significantly higher model complexity and computational burden, making it suitable for resource-constrained areas.
Authors: Ali Khalesi, Mohammad Reza Deylam Salehi
Abstract: Mixture-of-Experts (MoE) architectures decompose prediction tasks into specialized expert sub-networks selected by a gating mechanism. This letter adopts a communication-theoretic view of MoE gating, modeling the gate as a stochastic channel operating under a finite information rate. Within an information-theoretic learning framework, {we specialize a mutual-information generalization bound and develop a rate-distortion characterization $D(R_g)$ of finite-rate gating, where $R_g:=I(X; T)$, yielding (under a standard empirical rate-distortion optimality condition) $\mathbb{E}[R(W)] \le D(R_g)+\delta_m+\sqrt{(2/m)\, I(S; W)}$. }The analysis yields capacity-aware limits for communication-constrained MoE systems, and numerical simulations on synthetic multi-expert models empirically confirm the predicted trade-offs between gating rate, expressivity, and generalization.
Authors: Nghia Phan, Rong Jin, Gang Liu, Xiao Dong
Abstract: Automatic Chord Recognition (ACR) is constrained by the scarcity of aligned chord labels, as well-aligned annotations are costly to acquire. At the same time, open-weight pre-trained models are currently more accessible than their proprietary training data. In this work, we present a two-stage training pipeline that leverages pre-trained models together with unlabeled audio. The proposed method decouples training into two stages. In the first stage, we use a pre-trained BTC model as a teacher to generate pseudo-labels for over 1,000 hours of diverse unlabeled audio and train a student model solely on these pseudo-labels. In the second stage, the student is continually trained on ground-truth labels as they become available. To prevent catastrophic forgetting of the representations learned in the first stage, we apply selective knowledge distillation (KD) from the teacher as a regularizer. In our experiments, two models (BTC, 2E1D) were used as students. In stage 1, using only pseudo-labels, the BTC student achieves over 98% of the teacher's performance, while the 2E1D model achieves about 96% across seven standard mir_eval metrics. After a single training run for both students in stage 2, the resulting BTC student model surpasses the traditional supervised learning baseline by 2.5% and the original pre-trained teacher model by 1.55% on average across all metrics. The resulting 2E1D student model improves over the traditional supervised learning baseline by 2.67% on average and achieves almost the same performance as the teacher. Both cases show large gains on rare chord qualities.
Authors: Xiangyan Qu, Zhenlong Yuan, Jing Tang, Rui Chen, Datao Tang, Meng Yu, Lei Sun, Yancheng Bai, Xiangxiang Chu, Gaopeng Gou, Gang Xiong, Yujun Cai
Abstract: Image Chain-of-Thought (Image-CoT) is a test-time scaling paradigm that improves image generation by extending inference time. Most Image-CoT methods focus on text-to-image (T2I) generation. Unlike T2I generation, image editing is goal-directed: the solution space is constrained by the source image and instruction. This mismatch causes three challenges when applying Image-CoT to editing: inefficient resource allocation with fixed sampling budgets, unreliable early-stage verification using general MLLM scores, and redundant edited results from large-scale sampling. To address this, we propose ADaptive Edit-CoT (ADE-CoT), an on-demand test-time scaling framework to enhance editing efficiency and performance. It incorporates three key strategies: (1) a difficulty-aware resource allocation that assigns dynamic budgets based on estimated edit difficulty; (2) edit-specific verification in early pruning that uses region localization and caption consistency to select promising candidates; and (3) depth-first opportunistic stopping, guided by an instance-specific verifier, that terminates when intent-aligned results are found. Extensive experiments on three SOTA editing models (Step1X-Edit, BAGEL, FLUX.1 Kontext) across three benchmarks show that ADE-CoT achieves superior performance-efficiency trade-offs. With comparable sampling budgets, ADE-CoT obtains better performance with more than 2x speedup over Best-of-N.
Authors: Chujun Tang, Lei Zhong, Fangqiang Ding
Abstract: Do video diffusion models encode signals predictive of physical plausibility? We probe intermediate denoising representations of a pretrained Diffusion Transformer (DiT) and find that physically plausible and implausible videos are partially separable in mid-layer feature space across noise levels. This separability cannot be fully attributed to visual quality or generator identity, suggesting recoverable physics-related cues in frozen DiT features. Leveraging this observation, we introduce progressive trajectory selection, an inference-time strategy that scores parallel denoising trajectories at a few intermediate checkpoints using a lightweight physics verifier trained on frozen features, and prunes low-scoring candidates early. Extensive experiments on PhyGenBench demonstrate that our method improves physical consistency while reducing inference cost, achieving comparable results to Best-of-K sampling with substantially fewer denoising steps.
Authors: Henrik Marklund, Alex Infanger, Benjamin Van Roy
Abstract: Because human preferences are too complex to codify, AIs operate with misspecified objectives. Optimizing such objectives often produces undesirable outcomes; this phenomenon is known as reward hacking. Such outcomes are not necessarily catastrophic. Indeed, most examples of reward hacking in previous literature are benign. And typically, objectives can be modified to resolve the issue. We study the prospect of catastrophic outcomes induced by AIs operating in complex environments. We argue that, when capabilities are sufficiently advanced, pursuing a fixed consequentialist objective tends to result in catastrophic outcomes. We formalize this by establishing conditions that provably lead to such outcomes. Under these conditions, simple or random behavior is safe. Catastrophic risk arises due to extraordinary competence rather than incompetence. With a fixed consequentialist objective, avoiding catastrophe requires constraining AI capabilities. In fact, constraining capabilities the right amount not only averts catastrophe but yields valuable outcomes. Our results apply to any objective produced by modern industrial AI development pipelines.
Authors: Jun Liu, Pu Zhao, Zhenglun Kong, Xuan Shen, Peiyan Dong, Fan Yang, Lin Cui, Hao Tang, Geng Yuan, Wei Niu, Wenbin Zhang, Xue Lin, Gaowen Liu, Yanzhi Wang, Dong Huang
Abstract: Embodied robotic systems increasingly rely on large language model (LLM)-based agents to support high-level reasoning, planning, and decision-making during interactions with the environment. However, invoking LLM reasoning introduces substantial computational latency and resource overhead, which can interrupt action execution and reduce system reliability. Excessive reasoning may delay actions, while insufficient reasoning often leads to incorrect decisions and task failures. This raises a fundamental question for embodied agents: when should the agent reason, and when should it act? In this work, we propose RARRL (Resource-Aware Reasoning via Reinforcement Learning), a hierarchical framework for resource-aware orchestration of embodied agents. Rather than learning low-level control policies, RARRL learns a high-level orchestration policy that operates at the agent's decision-making layer. This policy enables the agent to adaptively determine whether to invoke reasoning, which reasoning role to employ, and how much computational budget to allocate based on current observations, execution history, and remaining resources. Extensive experiments, including evaluations with empirical latency profiles derived from the ALFRED benchmark, show that RARRL consistently improves task success rates while reducing execution latency and enhancing robustness compared with fixed or heuristic reasoning strategies. These results demonstrate that adaptive reasoning control is essential for building reliable and efficient embodied robotic agents.
Authors: Xiucheng Wang, Zixuan Guo, Nan Cheng
Abstract: Radio maps (RMs) provide spatially continuous propagation characterizations essential for 6G network planning, but high-fidelity RM construction remains challenging. Rigorous electromagnetic solvers incur prohibitive computational latency, while data-driven models demand massive labeled datasets and generalize poorly from simplified simulations to complex multipath environments. This paper proposes RadioDiff-FS, a few-shot diffusion framework that adapts a pretrained main-path generator to multipath-rich target domains with only a small number of high-fidelity samples. The adaptation is grounded in a theoretical decomposition of the multipath RM into a dominant main-path component and a directionally sparse residual. This decomposition shows that the cross-domain shift corresponds to a bounded and geometrically structured feature translation rather than an arbitrary distribution change. A direction-consistency loss (DCL) is then introduced to constrain diffusion score updates along physically plausible propagation directions, thereby suppressing phase-inconsistent artifacts that arise in the low-data regime. Experiments show that RadioDiff-FS reduces NMSE by 59.5\% on static RMs and by 74.0\% on dynamic RMs relative to the vanilla diffusion baseline, achieving an SSIM of 0.9752 and a PSNR of 36.37 dB under severely limited supervision. Even in a one-shot setting with a single target-domain sample per scene, RadioDiff-FS outperforms all fully supervised baselines, confirming that the directional constraint provides an effective inductive bias under extreme data scarcity. Code is available at https://github.com/UNIC-Lab/RadioDiff-FS.
Authors: Haolun Zheng, Yu He, Tailun Chen, Shuo Shao, Zhixuan Chu, Hongbin Zhou, Lan Tao, Zhan Qin, Kui Ren
Abstract: Text-to-image (T2I) models such as Stable Diffusion and DALLE remain susceptible to generating harmful or Not-Safe-For-Work (NSFW) content under jailbreak attacks despite deployed safety filters. Existing jailbreak attacks either rely on proxy-loss optimization instead of the true end-to-end objective, or depend on large-scale and costly RL-trained generators. Motivated by these limitations, we propose JANUS , a lightweight framework that formulates jailbreak as optimizing a structured prompt distribution under a black-box, end-to-end reward from the T2I system and its safety filters. JANUS replaces a high-capacity generator with a low-dimensional mixing policy over two semantically anchored prompt distributions, enabling efficient exploration while preserving the target semantics. On modern T2I models, we outperform state-of-the-art jailbreak methods, improving ASR-8 from 25.30% to 43.15% on Stable Diffusion 3.5 Large Turbo with consistently higher CLIP and NSFW scores. JANUS succeeds across both open-source and commercial models. These findings expose structural weaknesses in current T2I safety pipelines and motivate stronger, distribution-aware defenses. Warning: This paper contains model outputs that may be offensive.
Authors: Praneeth Vepakomma
Abstract: We introduce PolyVeil, a protocol for private Boolean summation across $k$ clients that encodes private bits as permutation matrices in the Birkhoff polytope. A two-layer architecture gives the server perfect simulation-based security (statistical distance zero) while a separate aggregator faces \#P-hard likelihood inference via the permanent and mixed discriminant. Two variants (full and compressed) differ in what the aggregator observes. We develop a finite-sample $(\varepsilon,\delta)$-DP analysis with explicit constants. In the full variant, where the aggregator sees a doubly stochastic matrix per client, the log-Lipschitz constant grows as $n^4 K_t$ and a signal-to-noise analysis shows the DP guarantee is non-vacuous only when the private signal is undetectable. In the compressed variant, where the aggregator sees a single scalar, the univariate density ratio yields non-vacuous $\varepsilon$ at moderate SNR, with the optimal decoy count balancing CLT accuracy against noise concentration. This exposes a fundamental tension. \#P-hardness requires the full matrix view (Birkhoff structure visible), while non-vacuous DP requires the scalar view (low dimensionality). Whether both hold simultaneously in one variant remains open. The protocol needs no PKI, has $O(k)$ communication, and outputs exact aggregates.
Authors: Benchong Li
Abstract: The sample compression conjecture is: Each concept class of VC dimension d has a compression scheme of size d.In this paper, for any concept class of finite functions, we present a labeled sample compression scheme of size equals to its VC dimension d. That is, the long standing open sample compression conjecture is resolved.
Authors: Armin Catovic
Abstract: Recent advances in generative AI systems have dramatically reduced the cost of digital production, fueling narratives that widespread participation in software creation will yield a proliferation of viable companies. This paper challenges that assumption. We introduce the Builder Saturation Effect, formalizing a model in which production scales elastically but human attention remains finite. In markets with near-zero marginal costs and free entry, increases in the number of producers dilute average attention and returns per producer, even as total output expands. Extending the framework to incorporate quality heterogeneity and reinforcement dynamics, we show that equilibrium outcomes exhibit declining average payoffs and increasing concentration, consistent with power-law-like distributions. These results suggest that AI-enabled, democratised production is more likely to intensify competition and produce winner-take-most outcomes than to generate broadly distributed entrepreneurial success. Contribution type: This paper is primarily a work of synthesis and applied formalisation. The individual theoretical ingredients - attention scarcity, free-entry dilution, superstar effects, preferential attachment - are well established in their respective literatures. The contribution is to combine them into a unified framework and direct the resulting predictions at a specific contemporary claim about AI-enabled entrepreneurship.
Authors: Aymen Bouferroum (FUN), Valeria Loscri (FUN), Abderrahim Benslimane (LIA)
Abstract: The Industrial Internet of Things (IIoT) introduces significant security challenges as resource-constrained devices become increasingly integrated into critical industrial processes. Existing security approaches typically address threats at a single network layer, often relying on expensive hardware and remaining confined to simulation environments. In this paper, we present the research framework and contributions of our doctoral thesis, which aims to develop a lightweight, Machine Learning (ML)-based security framework for IIoT environments. We first describe our adoption of the Tm-IIoT trust model and the Hybrid IIoT (H-IIoT) architecture as foundational baselines, then introduce the Trust Convergence Acceleration (TCA) approach, our primary contribution that integrates ML to predict and mitigate the impact of degraded network conditions on trust convergence, achieving up to a 28.6% reduction in convergence time while maintaining robustness against adversarial behaviors. We then propose a real-world deployment architecture based on affordable, open-source hardware, designed to implement and extend the security framework. Finally, we outline our ongoing research toward multi-layer attack detection, including physical-layer threat identification and considerations for robustness against adversarial ML attacks.
Authors: Javier Dur\'an-Micco, Bilge Atasoy
Abstract: This paper addresses the Service Network Design (SND) problem for a logistics service provider (LSP) operating in a multimodal freight transport network, considering uncertain travel times and limited truck fleet availability. A two-stage optimization approach is proposed, which combines metaheuristics, simulation and machine learning components. This solution framework integrates tactical decisions, such as transport request acceptance and capacity booking for scheduled services, with operational decisions, including dynamic truck allocation, routing, and re-planning in response to disruptions. A simulated annealing (SA) metaheuristic is employed to solve the tactical problem, supported by an adaptive surrogate model trained using a discrete-event simulation model that captures operational complexities and cascading effects of uncertain travel times. The performance of the proposed method is evaluated using benchmark instances. First, the SA is tested on a deterministic version of the problem and compared to state-of-the-art results, demonstrating it can improve the solution quality and significantly reduce the computational time. Then, the proposed SA is applied to the more complex stochastic problem. Compared to a benchmark algorithm that executes a full simulation for each solution evaluation, the learning-based SA generates high quality solutions while significantly reducing computational effort, achieving only a 5% difference in objective function value while cutting computation time by up to 20 times. These results demonstrate the strong performance of the proposed algorithm in solving complex versions of the SND. Moreover, they highlight the effectiveness of integrating diverse modeling and optimization techniques, and the potential of such approaches to efficiently address freight transport planning challenges.
Authors: Cursor Research, :, Aaron Chan, Ahmed Shalaby, Alexander Wettig, Aman Sanger, Andrew Zhai, Anurag Ajay, Ashvin Nair, Charlie Snell, Chen Lu, Chen Shen, Emily Jia, Federico Cassano, Hanpeng Liu, Haoyu Chen, Henry Wildermuth, Jacob Jackson, Janet Li, Jediah Katz, Jiajun Yao, Joey Hejna, Josh Warner, Julius Vering, Kevin Frans, Lee Danilek, Less Wright, Lujing Cen, Luke Melas-Kyriazi, Michael Truell, Michiel de Jong, Naman Jain, Nate Schmidt, Nathan Wang, Niklas Muennighoff, Oleg Rybkin, Paul Loh, Phillip Kravtsov, Rishabh Yadav, Sahil Shah, Sam Kottler, Alexander M Rush, Shengtong Zhang, Shomil Jain, Sriram Sankar, Stefan Heule, Stuart H. Sul, Sualeh Asif, Victor Rong, Wanqi Zhu, William Lin, Yuchen Wu, Yuri Volkov, Yury Zemlyanskiy, Zack Holbrook, Zhiyuan Zhang
Abstract: Composer 2 is a specialized model designed for agentic software engineering. The model demonstrates strong long-term planning and coding intelligence while maintaining the ability to efficiently solve problems for interactive use. The model is trained in two phases: first, continued pretraining to improve the model's knowledge and latent coding ability, followed by large-scale reinforcement learning to improve end-to-end coding performance through stronger reasoning, accurate multi-step execution, and coherence on long-horizon realistic coding problems. We develop infrastructure to support training in the same Cursor harness that is used by the deployed model, with equivalent tools and structure, and use environments that match real problems closely. To measure the ability of the model on increasingly difficult tasks, we introduce a benchmark derived from real software engineering problems in large codebases including our own. Composer 2 is a frontier-level coding model and demonstrates a process for training strong domain-specialized models. On our CursorBench evaluations the model achieves a major improvement in accuracy compared to previous Composer models (61.3). On public benchmarks the model scores 61.7 on Terminal-Bench and 73.7 on SWE-bench Multilingual in our harness, comparable to state-of-the-art systems.