Authors: Mahesh Godavarti
Abstract: We present a concise architecture for joint training on sentences and structured data while keeping knowledge and language representations separable. The model treats knowledge graphs and hypergraphs as structured instances with role slots and encodes them into a key-value repository that a language transformer can attend over. Attention is conditioned by journey-based role transport, which unifies edge-labeled KG traversal, hyperedge traversal, and sentence structure. We outline a dual-stream architecture, hierarchical layer groups with instance-local, neighborhood, and global mixing attention, retrieval over a separate repository, and multi-task objectives spanning masked language modeling, link prediction, and role-consistency denoising. The result is an explicit, inspectable separation between linguistic context and structured knowledge, while still enabling tight alignment through cross-attention.
Authors: Pei Yang, Wanyi Chen, Yuxi Zheng, Xueqian Li, Xiang Li, Haoqin Tu, Jie Xiao, Yifan Pang, Bill Shi, Lynn Ai, Eric Yang
Abstract: Large language model (LLM) agents offer a promising data-driven approach to automating Site Reliability Engineering (SRE), yet their enterprise deployment is constrained by three challenges: restricted access to proprietary data, unsafe action execution under permission-governed environments, and the inability of closed systems to improve from failures. We present AOI (Autonomous Operations Intelligence), a trainable multi-agent framework formulating automated operations as a structured trajectory learning problem under security constraints. Our approach integrates three key components. First, a trainable diagnostic system applies Group Relative Policy Optimization (GRPO) to distill expert-level knowledge into locally deployed open-source models, enabling preference-based learning without exposing sensitive data. Second, a read-write separated execution architecture decomposes operational trajectories into observation, reasoning, and action phases, allowing safe learning while preventing unauthorized state mutation. Third, a Failure Trajectory Closed-Loop Evolver mines unsuccessful trajectories and converts them into corrective supervision signals, enabling continual data augmentation. Evaluated on the AIOpsLab benchmark, our contributions yield cumulative gains. (1) The AOI runtime alone achieves 66.3% best@5 success on all 86 tasks, outperforming the prior state-of-the-art (41.9%) by 24.4 points. (2) Adding Observer GRPO training, a locally deployed 14B model reaches 42.9% avg@1 on 63 held-out tasks with unseen fault types, surpassing Claude Sonnet 4.5. (3) The Evolver converts 37 failed trajectories into diagnostic guidance, improving end-to-end avg@5 by 4.8 points while reducing variance by 35%.
Authors: Hang Yi, Ziwei Huang, Yining Ma, Zhiguang Cao
Abstract: Recent neural solvers have achieved strong performance on vehicle routing problems (VRPs), yet they mainly assume symmetric Euclidean distances, restricting applicability to real-world scenarios. A core challenge is encoding the relational features in asymmetric distance matrices of VRPs. Early attempts directly encoded these matrices but often failed to produce compact embeddings and generalized poorly at scale. In this paper, we propose RADAR, a scalable neural framework that augments existing neural VRP solvers with the ability to handle asymmetric inputs. RADAR addresses asymmetry from both static and dynamic perspectives. It leverages Singular Value Decomposition (SVD) on the asymmetric distance matrix to initialize compact and generalizable embeddings that inherently encode the static asymmetry in the inbound and outbound costs of each node. To further model dynamic asymmetry in embedding interactions during encoding, it replaces the standard softmax with Sinkhorn normalization that imposes joint row and column distance awareness in attention weights. Extensive experiments on synthetic and real-world benchmarks across various VRPs show that RADAR outperforms strong baselines on both in-distribution and out-of-distribution instances, demonstrating robust generalization and superior performance in solving asymmetric VRPs.
Authors: Krishna Sri Ipsit Mantri, Carola-Bibiane Sch\"onlieb, Zorah L\"ahner, Moshe Eliasof
Abstract: Obtaining a single-vector representation from a Large Language Model's (LLM) token-level outputs is a critical step for nearly all sentence-level tasks. However, standard pooling methods like mean or max aggregation treat tokens as an independent set, discarding the rich relational structure captured by the model's self-attention layers and making them susceptible to signal dilution. To address this, we introduce GLOT, a lightweight, structure-aware pooling module that reframes pooling as relational learning followed by aggregation. Operating on the outputs of a frozen LLM, GLOT first constructs a latent token-similarity graph, then refines token representations with a graph neural network, and finally aggregates them using a readout layer. Experimentally, our approach is remarkably robust and efficient: on a diagnostic stress test where 90% of tokens are random distractors, GLOT maintains over 97% accuracy while baseline methods collapse. Furthermore, it is competitive with state-of-the-art techniques on benchmarks like GLUE and MTEB with 20x fewer trainable parameters and speeds up the training time by over 100x compared with parameter-efficient fine-tuning methods. Supported by a theoretical analysis of its expressive power, our work shows that learning over token graphs is a powerful paradigm for the efficient adaptation of frozen LLMs. Our code is published at https://github.com/ipsitmantri/GLOT.
Authors: Yoshimasa Kubo, Suhani Pragnesh Modi, Smit Patel
Abstract: Equilibrium propagation (EP) is a biologically plausible alternative to backpropagation for training neural networks. However, existing EP models use a uniform scalar time step dt, which corresponds biologically to a membrane time constant that is heterogeneous across neurons. Here, we introduce heterogeneous time steps (HTS) for EP by assigning neuron-specific time constants drawn from biologically motivated distributions. We show that HTS improves training stability while maintaining competitive task performance. These results suggest that incorporating heterogeneous temporal dynamics enhances both the biological realism and robustness of equilibrium propagation.
Authors: Haipeng Luo
Abstract: This short note describes a simple variant of the Squint algorithm of Koolen and Van Erven [2015] for the classic expert problem. Via an equally simple modification of their proof, we prove that this variant ensures a regret bound that resembles the one shown in a recent work by Freund et al. [2026] for a variant of the NormalHedge algorithm [Chaudhuri et al., 2009].
Authors: Peter Adema, Karim Galliamov, Aleksey Evstratovskiy, Ross Geurts
Abstract: Offline Reinforcement Learning (RL) is an emerging field of RL in which policies are learned solely from demonstrations. Within offline RL, some environments involve balancing multiple objectives, but existing multi-objective offline RL algorithms do not provide an efficient way to find a fair compromise. FairDICE (see arXiv:2506.08062v2) seeks to fill this gap by adapting OptiDICE (an offline RL algorithm) to automatically learn weights for multiple objectives to e.g.\ incentivise fairness among objectives. As this would be a valuable contribution, this replication study examines the replicability of claims made regarding FairDICE. We find that many theoretical claims hold, but an error in the code reduces FairDICE to standard behaviour cloning in continuous environments, and many important hyperparameters were originally underspecified. After rectifying this, we show in experiments extending the original paper that FairDICE can scale to complex environments and high-dimensional rewards, though it can be reliant on (online) hyperparameter tuning. We conclude that FairDICE is a theoretically interesting method, but the experimental justification requires significant revision.
Authors: Peter Balogh
Abstract: We investigate when transformer MLP nonlinearity is actually necessary. A gate with $d+1$ parameters decides when to replace the full MLP with a linear surrogate. Through systematic investigation across six models (162M-2.8B parameters), two architectures, and three corpora, we establish that nonlinearity need cannot be predicted from token identity: cross-corpus correlation is zero ($r < 0.05$). The routing decision is fully contextual. Despite weak per-instance predictability, the gate exploits a heavily skewed distribution where most MLP computations are near-linear, achieving 25-56% linear routing at <1% perplexity cost in GPT-2. In GPT-2 Large, 11 of 36 layers beat baseline with gating and no layer exceeds 3.7% all-linear cost. This success is architecture-dependent: Pythia models show higher costs, though Pythia-2.8B's full 32-layer sweep reveals one layer that narrowly beats baseline. As a proof of concept, we progressively replace middle-layer MLPs with frozen linear matrices: 5 of 24 layers linearize at zero cost. With a full training budget, 4 linearized layers yield a 10.2% perplexity improvement -- and a two-phase gated approach pushes this to 17.3%, beating a vanilla fine-tuning control and confirming that the nonlinear MLPs at these layers were actively harmful.
Authors: Abinav Rao, Alex Wa, Rishi Athavale
Abstract: We introduce Graph Hopfield Networks, whose energy function couples associative memory retrieval with graph Laplacian smoothing for node classification. Gradient descent on this joint energy yields an iterative update interleaving Hopfield retrieval with Laplacian propagation. Memory retrieval provides regime-dependent benefits: up to 2.0~pp on sparse citation networks and up to 5 pp additional robustness under feature masking; the iterative energy-descent architecture itself is a strong inductive bias, with all variants (including the memory-disabled NoMem ablation) outperforming standard baselines on Amazon co-purchase graphs. Tuning enables graph sharpening for heterophilous benchmarks without architectural changes.
Authors: Jerome Garnier-Brun, Luca Biggio, Davide Beltrame, Marc M\'ezard, Luca Saglietti
Abstract: Generalization in generative modeling is defined as the ability to learn an underlying distribution from a finite dataset and produce novel samples, with evaluation largely driven by held-out performance and perceived sample quality. In practice, training is often stopped at the minimum of the test loss, taken as an operational indicator of generalization. We challenge this viewpoint by identifying a phase of biased generalization during training, in which the model continues to decrease the test loss while favoring samples with anomalously high proximity to training data. By training the same network on two disjoint datasets and comparing the mutual distances of generated samples and their similarity to training data, we introduce a quantitative measure of bias and demonstrate its presence on real images. We then study the mechanism of bias, using a controlled hierarchical data model where access to exact scores and ground-truth statistics allows us to precisely characterize its onset. We attribute this phenomenon to the sequential nature of feature learning in deep networks, where coarse structure is learned early in a data-independent manner, while finer features are resolved later in a way that increasingly depends on individual training samples. Our results show that early stopping at the test loss minimum, while optimal under standard generalization criteria, may be insufficient for privacy-critical applications.
Authors: Subramanyam Sahoo, Aman Chadha, Vinija Jain, Divya Chaudhary
Abstract: Mathematical reasoning models are widely deployed in education, automated tutoring, and decision support systems despite exhibiting fundamental computational instabilities. We demonstrate that state-of-the-art models (Qwen2.5-Math-7B) achieve 61% accuracy through a mixture of reliable and unreliable reasoning pathways: 18.4% of correct predictions employ stable, faithful reasoning while 81.6% emerge through computationally inconsistent pathways. Additionally, 8.8% of all predictions are silent failures -- confident yet incorrect outputs. Through comprehensive analysis using novel faithfulness metrics, we reveal: (1) reasoning quality shows weak negative correlation with correctness (r=-0.21, p=0.002), reflecting a binary classification threshold artifact rather than a monotonic inverse relationship; (2) scaling from 1.5B to 7B parameters (4.7x increase) provides zero accuracy benefit on our evaluated subset (6% of GSM8K), requiring validation on the complete benchmark; and (3) latent reasoning employs diverse computational strategies, with ~20% sharing CoT-like patterns. These findings highlight that benchmark accuracy can mask computational unreliability, demanding evaluation reforms measuring stability beyond single-sample metrics.
Authors: Harin Lee, Kevin Jamieson
Abstract: We study reinforcement learning with delayed state observation, where the agent observes the current state after some random number of time steps. We propose an algorithm that combines the augmentation method and the upper confidence bound approach. For tabular Markov decision processes (MDPs), we derive a regret bound of $\tilde{\mathcal{O}}(H \sqrt{D_{\max} SAK})$, where $S$ and $A$ are the cardinalities of the state and action spaces, $H$ is the time horizon, $K$ is the number of episodes, and $D_{\max}$ is the maximum length of the delay. We also provide a matching lower bound up to logarithmic factors, showing the optimality of our approach. Our analytical framework formulates this problem as a special case of a broader class of MDPs, where their transition dynamics decompose into a known component and an unknown but structured component. We establish general results for this abstract setting, which may be of independent interest.
Authors: Jeongdong Kim, Minsu Kim, Jonggeol Na, Junghwan Kim
Abstract: E-fuels are promising long-term energy carriers supporting the net-zero transition. However, the large combinatorial design-operation spaces under renewable uncertainty make the use of mathematical programming impractical for co-optimizing e-fuel production systems. Here, we present MasCOR, a machine-learning-assisted co-optimization framework that learns from global operational trajectories. By encoding system design and renewable trends, a single MasCOR agent generalizes dynamic operation across diverse configurations and scenarios, substantially simplifying design-operation co-optimization under uncertainty. Benchmark comparisons against state-of-the-art reinforcement learning baselines demonstrate near-optimal performance, while computational costs are substantially lower than those of mathematical programming, enabling rapid parallel evaluation of designs within the co-optimization loop. This framework enables rapid screening of feasible design spaces together with corresponding operational policies. When applied to four potential European sites targeting e-methanol production, MasCOR shows that most locations benefit from reducing system load below 50 MW to achieve carbon-neutral methanol production, with production costs of 1.0-1.2 USD per kg. In contrast, Dunkirk (France), with limited renewable availability and high grid prices, favors system loads above 200 MW and expanded storage to exploit dynamic grid exchange and hydrogen sales to the market. These results underscore the value of the MasCOR framework for site-specific guidance from system design to real-time operation.
Authors: Yifan Qin, Jiahao Zheng, Zheyu Yan, Wujie Wen, Xiaobo Sharon Hu, Yiyu Shi
Abstract: Compute-in-memory (CiM) architectures promise significant improvements in energy efficiency and throughput for deep neural network acceleration by alleviating the von Neumann bottleneck. However, their reliance on emerging non-volatile memory devices introduces device-level non-idealities-such as write variability, conductance drift, and stochastic noise-that fundamentally challenge reliability, predictability, and safety, especially in safety-critical applications. This talk examines the reliability limits of CiM-based neural accelerators and presents a series of techniques that bridge device physics, architecture, and learning algorithms to address these challenges. We first demonstrate that even small device variations can lead to disproportionately large accuracy degradation and catastrophic failures in safety-critical inference workloads, revealing a critical gap between average-case evaluations and worst-case behavior. Building on this insight, we introduce SWIM, a selective write-verify mechanism that strategically applies verification only where it is most impactful, significantly improving reliability while maintaining CiM's efficiency advantages. Finally, we explore a learning-centric solution that improves realistic worst-case performance by training neural networks with right-censored Gaussian noise, aligning training assumptions with hardware-induced variability and enabling robust deployment without excessive hardware overhead. Together, these works highlight the necessity of cross-layer co-design for CiM accelerators and provide a principled path toward dependable, efficient neural inference on emerging memory technologies-paving the way for their adoption in safety- and reliability-critical systems.
Authors: Alessandro Salvatore, Stanislav Fort, Surya Ganguli
Abstract: Adversarial attacks - input perturbations imperceptible to humans that fool neural networks - remain both a persistent failure mode in machine learning, and a phenomenon with mysterious origins. To shed light, we define and analyze a network's perceptual manifold (PM) for a class concept as the space of all inputs confidently assigned to that class by the network. We find, strikingly, that the dimensionalities of neural network PMs are orders of magnitude higher than those of natural human concepts. Since volume typically grows exponentially with dimension, this suggests exponential misalignment between machines and humans, with exponentially many inputs confidently assigned to concepts by machines but not humans. Furthermore, this provides a natural geometric hypothesis for the origin of adversarial examples: because a network's PM fills such a large region of input space, any input will be very close to any class concept's PM. Our hypothesis thus suggests that adversarial robustness cannot be attained without dimensional alignment of machine and human PMs, and therefore makes strong predictions: both robust accuracy and distance to any PM should be negatively correlated with the PM dimension. We confirmed these predictions across 18 different networks of varying robust accuracy. Crucially, we find even the most robust networks are still exponentially misaligned, and only the few PMs whose dimensionality approaches that of human concepts exhibit alignment to human perception. Our results connect the fields of alignment and adversarial examples, and suggest the curse of high dimensionality of machine PMs is a major impediment to adversarial robustness.
Authors: Xuan Zhang, Haiyang Yu, Chengdong Wang, Jacob Helwig, Shuiwang Ji, Xiaofeng Qian
Abstract: We aim to learn wavefunctions simulated by time-dependent density functional theory (TDDFT), which can be efficiently represented as linear combination coefficients of atomic orbitals. In real-time TDDFT, the electronic wavefunctions of a molecule evolve over time in response to an external excitation, enabling first-principles predictions of physical properties such as optical absorption, electron dynamics, and high-order response. However, conventional real-time TDDFT relies on time-consuming propagation of all occupied states with fine time steps. In this work, we propose OrbEvo, which is based on an equivariant graph transformer architecture and learns to evolve the full electronic wavefunction coefficients across time steps. First, to account for external field, we design an equivariant conditioning to encode both strength and direction of external electric field and break the symmetry from SO(3) to SO(2). Furthermore, we design two OrbEvo models, OrbEvo-WF and OrbEvo-DM, using wavefunction pooling and density matrix as interaction method, respectively. Motivated by the central role of the density functional in TDDFT, OrbEvo-DM encodes the density matrix aggregated from all occupied electronic states into feature vectors via tensor contraction, providing a more intuitive approach to learn the time evolution operator. We adopt a training strategy specifically tailored to limit the error accumulation of time-dependent wavefunctions over autoregressive rollout. To evaluate our approach, we generate TDDFT datasets consisting of 5,000 different molecules in the QM9 dataset and 1,500 molecular configurations of the malonaldehyde molecule in the MD17 dataset. Results show that our OrbEvo model accurately captures quantum dynamics of excited states under external field, including time-dependent wavefunctions, time-dependent dipole moment, and optical absorption spectra.
Authors: Maksim Kuznetsov, Zulfat Miftahutdinov, Rim Shayakhmetov, Mikolaj Mizera, Roman Schutski, Bogdan Zagribelnyy, Ivan Ilin, Nikita Bondarev, Thomas MacDougall, Mathieu Reymond, Mihir Bafna, Kaeli Kaymak-Loveless, Eugene Babin, Maxim Malkov, Mathias Lechner, Ramin Hasani, Alexander Amini, Vladimir Aladinskiy, Alex Aliper, Alex Zhavoronkov
Abstract: General-purpose large language models (LLMs) that rely on in-context learning do not reliably deliver the scientific understanding and performance required for drug discovery tasks. Simply increasing model size or introducing reasoning tokens does not yield significant performance gains. To address this gap, we introduce the MMAI Gym for Science, a one-stop shop molecular data formats and modalities as well as task-specific reasoning, training, and benchmarking recipes designed to teach foundation models the 'language of molecules' in order to solve practical drug discovery problems. We use MMAI Gym to train an efficient Liquid Foundation Model (LFM) for these applications, demonstrating that smaller, purpose-trained foundation models can outperform substantially larger general-purpose or specialist models on molecular benchmarks. Across essential drug discovery tasks - including molecular optimization, ADMET property prediction, retrosynthesis, drug-target activity prediction, and functional group reasoning - the resulting model achieves near specialist-level performance and, in the majority of settings, surpasses larger models, while remaining more efficient and broadly applicable in the domain.
Authors: Shengbo Wang
Abstract: We study reinforcement learning in infinite-horizon discounted Markov decision processes with continuous state spaces, where data are generated online from a single trajectory under a Markovian behavior policy. To avoid maintaining an infinite-dimensional, function-valued estimate, we propose the novel Q-Measure-Learning, which learns a signed empirical measure supported on visited state-action pairs and reconstructs an action-value estimate via kernel integration. The method jointly estimates the stationary distribution of the behavior chain and the Q-measure through coupled stochastic approximation, leading to an efficient weight-based implementation with $O(n)$ memory and $O(n)$ computation cost per iteration. Under uniform ergodicity of the behavior chain, we prove almost sure sup-norm convergence of the induced Q-function to the fixed point of a kernel-smoothed Bellman operator. We also bound the approximation error between this limit and the optimal $Q^*$ as a function of the kernel bandwidth. To assess the performance of our proposed algorithm, we conduct RL experiments in a two-item inventory control setting.
Authors: Zeyneb N. Kaya, Nick Rui
Abstract: As strong general reasoners, large language models (LLMs) encounter diverse domains and tasks, where the ability to adapt and self-improve at test time is valuable. We introduce MASS, a meta-learning framework that enables LLMs to self-adapt by generating problem-specific synthetic training data and performing targeted self-updates optimized for downstream performance at inference time. We train this behavior end-to-end via bilevel optimization: an inner loop adapts on self-generated examples while an outer loop meta-learns data-attribution signals and rewards post-update task performance. The synthetic data is optimized with scalable meta-gradients, backpropagating the downstream loss through the inner updates to reward useful generations. Experiments on mathematical reasoning show that MASS learns to synthesize per-instance curricula that yield effective, data-efficient test-time adaptation.
Authors: Betul Yurdem, Ferhat Ozgur Catak, Murat Kuzlu, Mehmet Kemal Gullu
Abstract: Vision-Language Models (VLMs) with their multimodal capabilities have demonstrated remarkable success in almost all domains, including education, transportation, healthcare, energy, finance, law, and retail. Nevertheless, the utilization of VLMs in healthcare applications raises crucial concerns due to the sensitivity of large-scale medical data and the trustworthiness of these models (reliability, transparency, and security). This study proposes a logit-level uncertainty quantification (UQ) framework for histopathology image analysis using VLMs to deal with these concerns. UQ is evaluated for three VLMs using metrics derived from temperature-controlled output logits. The proposed framework demonstrates a critical separation in uncertainty behavior. While VLMs show high stochastic sensitivity (cosine similarity (CS) $<0.71$ and $<0.84$, Jensen-Shannon divergence (JS) $<0.57$ and $<0.38$, and Kullback-Leibler divergence (KL) $<0.55$ and $<0.35$, respectively for mean values of VILA-M3-8B and LLaVA-Med v1.5), near-maximal temperature impacts ($\Delta_T \approx 1.00$), and displaying abrupt uncertainty transitions, particularly for complex diagnostic prompts. In contrast, the pathology-specific PRISM model maintains near-deterministic behavior (mean CS $>0.90$, JS $<0.10$, KL $<0.09$) and significantly minimal temperature effects across all prompt complexities. These findings emphasize the importance of logit-level uncertainty quantification to evaluate trustworthiness in histopathology applications utilizing VLMs.
Authors: Jiahao Qin
Abstract: We introduce mlx-snn, the first spiking neural network (SNN) library built natively on Apple's MLX framework. As SNN research grows rapidly, all major libraries -- snnTorch, Norse, SpikingJelly, Lava -- target PyTorch or custom backends, leaving Apple Silicon users without a native option. mlx-snn provides six neuron models (LIF, IF, Izhikevich, Adaptive LIF, Synaptic, Alpha), four surrogate gradient functions, four spike encoding methods (including an EEG-specific encoder), and a complete backpropagation-through-time training pipeline. The library leverages MLX's unified memory architecture, lazy evaluation, and composable function transforms (mx.grad, mx.compile) to enable efficient SNN research on Apple Silicon hardware. We validate mlx-snn on MNIST digit classification across five hyperparameter configurations and three backends, achieving up to 97.28% accuracy with 2.0--2.5 times faster training and 3--10 times lower GPU memory than snnTorch on the same M3 Max hardware. mlx-snn is open-source under the MIT license and available on PyPI. https://github.com/D-ST-Sword/mlx-snn
Authors: Achleshwar Luthra, Yash Salunkhe, Tomer Galanti
Abstract: Frozen self-supervised representations often transfer well with only a few labels across many semantic tasks. We argue that a single geometric quantity, \emph{directional} CDNV (decision-axis variance), sits at the core of two favorable behaviors: strong few-shot transfer within a task, and low interference across many tasks. We show that both emerge when variability \emph{along} class-separating directions is small. First, we prove sharp non-asymptotic multiclass generalization bounds for downstream classification whose leading term is the directional CDNV. The bounds include finite-shot corrections that cleanly separate intrinsic decision-axis variability from centroid-estimation error. Second, we link decision-axis collapse to multitask geometry: for independent balanced labelings, small directional CDNV across tasks forces the corresponding decision axes to be nearly orthogonal, helping a single representation support many tasks with minimal interference. Empirically, across SSL objectives, directional CDNV collapses during pretraining even when classical CDNV remains large, and our bounds closely track few-shot error at practical shot sizes. Additionally, on synthetic multitask data, we verify that SSL learns representations whose induced decision axes are nearly orthogonal. The code and project page of the paper are available at [\href{https://dlfundamentals.github.io/directional-neural-collapse/}{project page}].
URLs: https://dlfundamentals.github.io/directional-neural-collapse/
Authors: Yiming Sun, Runlong Yu, Rongchao Dong, Shuo Chen, Licheng Liu, Youmi Oh, Qianlai Zhuang, Yiqun Xie, Xiaowei Jia
Abstract: Accurate prediction of terrestrial ecosystem carbon fluxes (e.g., CO$_2$, GPP, and CH$_4$) is essential for understanding the global carbon cycle and managing its impacts. However, prediction remains challenging due to strong spatiotemporal heterogeneity: ecosystem flux responses are constrained by slowly varying regime conditions, while short-term fluctuations are driven by high-frequency dynamic forcings. Most existing learning-based approaches treat environmental covariates as a homogeneous input space, implicitly assuming a global response function, which leads to brittle generalization across heterogeneous ecosystems. In this work, we propose Role-Aware Conditional Inference (RACI), a process-informed learning framework that formulates ecosystem flux prediction as a conditional inference problem. RACI employs hierarchical temporal encoding to disentangle slow regime conditioners from fast dynamic drivers, and incorporates role-aware spatial retrieval that supplies functionally similar and geographically local context for each role. By explicitly modeling these distinct functional roles, RACI enables a model to adapt its predictions across diverse environmental regimes without training separate local models or relying on fixed spatial structures. We evaluate RACI across multiple ecosystem types (wetlands and agricultural systems), carbon fluxes (CO$_2$, GPP, CH$_4$), and data sources, including both process-based simulations and observational measurements. Across all settings, RACI consistently outperforms competitive spatiotemporal baselines, demonstrating improved accuracy and spatial generalization under pronounced environmental heterogeneity.
Authors: Sanae Lotfi, Lucas Caccia, Alessandro Sordoni, Jordan T. Ash, Miroslav Dudik
Abstract: While large language models (LLMs) fine-tuned with lightweight adapters achieve strong performance across diverse tasks, their performance on individual tasks depends on the fine-tuning strategy. Fusing independently trained models with different strengths has shown promise for multi-task learning through three main strategies: ensembling, which combines outputs from independent models; merging, which fuses model weights via parameter averaging; and routing, which integrates models in an input-dependent fashion. However, many design decisions in these approaches remain understudied, and the relative benefits of more sophisticated ensembling, merging and routing techniques are not fully understood. We empirically evaluate their trade-offs, addressing two key questions: What are the advantages of going beyond uniform ensembling or merging? And does the flexibility of routing justify its complexity? Our findings indicate that non-uniform ensembling and merging improve performance, but routing offers even greater gains. To mitigate the computational cost of routing, we analyze expert selection techniques, showing that clustering and greedy subset selection can maintain reasonable performance with minimal overhead. These insights advance our understanding of model fusion for multi-task learning.
Authors: Maria-Florina Balcan, Avrim Blum, Kiriaki Fragkia, Zhiyuan Li, Dravyansh Sharma
Abstract: Large language models with chain-of-thought generation have demonstrated great potential for producing complex mathematical proofs. However, their reasoning can often go astray, leading to increasing interest in formal and learned verifiers. A major challenge in learning verifiers, especially when their output will be used by the prover, is that this feedback loop may produce substantial distribution shift. Motivated by this challenge, we propose an online learning framework for learning chain-of-thought verifiers that, given a problem and a sequence of reasoning steps, check the correctness of the solution. Highlighting the asymmetric role of soundness (failure in catching errors in a proof) and completeness (flagging correct proofs as wrong) mistakes of the verifier, we introduce novel extensions of the Littlestone dimension which tightly characterize the mistake bounds for learning a verifier in the realizable setting. We provide optimal algorithms for finding the Pareto-frontier (the smallest total number of mistakes given a budget of soundness mistakes) as well as minimizing a linear combination of asymmetric costs. We further show how our learned verifiers can be used to boost the accuracy of a collection of weak provers, and enable generation of proofs beyond what they were trained on. With the mild assumption that one of the provers can generate the next reasoning step correctly with some minimal probability, we show how to learn a strong prover with small error and abstention rates.
Authors: Henri Schmidt, Peter Halmos, Ben Raphael
Abstract: Optimal transport (OT) finds a least cost transport plan between two probability distributions using a cost matrix defined on pairs of points. Unlike standard OT, which infers unstructured pointwise mappings, low-rank optimal transport explicitly constrains the rank of the transport plan to infer latent structure. This improves statistical stability and robustness, yields sharper parametric rates for estimating Wasserstein distances adaptive to the intrinsic rank, and generalizes $K$-means to co-clustering. These advantages, however, come at the cost of a non-convex and NP-hard optimization problem. We introduce transport clustering, an algorithm to compute a low-rank OT plan that reduces low-rank OT to a clustering problem on correspondences obtained from a full-rank $\textit{transport registration}$ step. We prove that this reduction yields polynomial-time, constant-factor approximation algorithms for low-rank OT: specifically, a $(1+\gamma)$ approximation for negative-type metrics and a $(1+\gamma+\sqrt{2\gamma}\,)$ approximation for kernel costs, where $\gamma \in [0,1]$ denotes the approximation ratio of the optimal full-rank solution relative to the low-rank optimal. Empirically, transport clustering outperforms existing low-rank OT solvers on synthetic benchmarks and large-scale, high-dimensional datasets.
Authors: Danish Rizvi, David Boyle
Abstract: Coordinating multiple autonomous agents to explore and serve spatially heterogeneous demand requires jointly learning unknown spatial patterns and planning trajectories that maximize task performance. Pure model-based approaches provide structured uncertainty estimates but lack adaptive policy learning, while deep reinforcement learning often suffers from poor sample efficiency when spatial priors are absent. This paper presents a hybrid belief-reinforcement learning (HBRL) framework to address this gap. In the first phase, agents construct spatial beliefs using a Log-Gaussian Cox Process (LGCP) and execute information-driven trajectories guided by a Pathwise Mutual Information (PathMI) planner with multi-step lookahead. In the second phase, trajectory control is transferred to a Soft Actor-Critic (SAC) agent, warm-started through dual-channel knowledge transfer: belief state initialization supplies spatial uncertainty, and replay buffer seeding provides demonstration trajectories generated during LGCP exploration. A variance-normalized overlap penalty enables coordinated coverage through shared belief state, permitting cooperative sensing in high-uncertainty regions while discouraging redundant coverage in well-explored areas. The framework is evaluated on a multi-UAV wireless service provisioning task. Results show 10.8% higher cumulative reward and 38% faster convergence over baselines, with ablation studies confirming that dual-channel transfer outperforms either channel alone.
Authors: Hadi Mohaghegh Dolatabadi, Thalaiyasingam Ajanthan, Sameera Ramasinghe, Chamin P Hewa Koneputugodage, Shamane Siriwardhana, Violetta Shevchenko, Karol Pajak, James Snewin, Gil Avraham, Alexander Long
Abstract: The rapid progress of large language models (LLMs) is increasingly constrained by memory and deployment costs, motivating compression methods for practical deployment. Many state-of-the-art compression pipelines leverage the low-rank structure of trained weight matrices, a phenomenon often associated with the properties of popular optimizers such as Adam. In this context, Muon is a recently proposed optimizer that improves LLM pretraining via full-rank update steps, but its induced weight-space structure has not been characterized yet. In this work, we report a surprising empirical finding: despite imposing full-rank updates, Muon-trained models exhibit pronounced low-rank structure in their weight matrices and are readily compressible under standard pipelines. Motivated by this insight, we propose NuMuon, which augments Muon with a nuclear-norm constraint on the update direction, further constraining the learned weights toward low-rank structure. Across billion-parameter-scale models, we show that NuMuon increases weight compressibility and improves post-compression model quality under state-of-the-art LLM compression pipelines while retaining Muon's favorable convergence behavior.
Authors: Christian Pehle, Jean-Jacques Slotine
Abstract: Understanding how systems built out of modular components can be jointly optimized is an important problem in biology, engineering, and machine learning. The backpropagation algorithm is one such solution and has been instrumental in the success of neural networks. Despite its empirical success, a strong theoretical understanding of it is lacking. Here, we combine tools from Riemannian geometry, optimal control theory, and theoretical physics to advance this understanding. We make three key contributions: First, we revisit the derivation of backpropagation as a constrained optimization problem and combine it with the insight that Riemannian gradient descent trajectories can be understood as the minimum of an action. Second, we introduce a recursively defined layerwise Riemannian metric that exploits the modular structure of neural networks and can be efficiently computed using the Woodbury matrix identity, avoiding the $O(n^3)$ cost of full metric inversion. Third, we develop a framework of composable ``Riemannian modules'' whose convergence properties can be quantified using nonlinear contraction theory, providing algorithmic stability guarantees of order $O(\kappa^2 L/(\xi \mu \sqrt{n}))$ where $\kappa$ and $L$ are Lipschitz constants, $\mu$ is the mass matrix scale, and $\xi$ bounds the condition number. Our layerwise metric approach provides a practical alternative to natural gradient descent. While we focus here on studying neural networks, our approach more generally applies to the study of systems made of modules that are optimized over time, as it occurs in biology during both evolution and development.
Authors: William Merrill, Hongjian Jiang, Yanhong Li, Ashish Sabharwal
Abstract: The community is increasingly exploring linear RNNs (LRNNs) as language models, motivated by their expressive power and parallelizability. While prior work establishes the expressivity benefits of LRNNs over transformers, it is unclear what makes LRNNs -- but not traditional, nonlinear RNNs -- as easy to parallelize in practice as transformers. We answer this question by providing a tight connection between types of RNNs and standard complexity classes. We show that LRNNs can be viewed as log-depth (bounded fan-in) arithmetic circuits, which represents only a slight depth overhead relative to log-depth boolean circuits that transformers admit. Furthermore, we show that nonlinear RNNs can solve $\mathsf{L}$-complete problems (and even $\mathsf{P}$-complete ones, under polynomial precision), revealing a fundamental barrier to parallelizing them as efficiently as transformers. Our theory also identifies fine-grained expressivity differences between recent popular LRNN variants: permutation-diagonal LRNNs are $\mathsf{NC}^1$-complete whereas diagonal-plus-low-rank LRNNs are more expressive ($\mathsf{PNC}^1$-complete). We provide further insight by associating each type of RNN with a corresponding automata-theoretic model that it can simulate. Together, our results reveal fundamental tradeoffs between nonlinear RNNs and different variants of LRNNs, providing a foundation for designing LLM architectures that achieve an optimal balance between expressivity and parallelism.
Authors: Blaine Quackenbush, Paul J. Atzberger
Abstract: We develop a rigorous framework for extending neural operators to handle out-of-distribution input functions. We leverage kernel approximation techniques and provide theory for characterizing the input-output function spaces in terms of Reproducing Kernel Hilbert Spaces (RKHSs). We provide theorems on the requirements for reliable extensions and their predicted approximation accuracy. We also establish formal relationships between specific kernel choices and their corresponding Sobolev Native Spaces. This connection further allows the extended neural operators to reliably capture not only function values but also their derivatives. Our methods are empirically validated through the solution of elliptic partial differential equations (PDEs) involving operators on manifolds having point-cloud representations and handling geometric contributions. We report results on key factors impacting the accuracy and computational performance of the extension approaches.
Authors: Felix K\"oster, Atsushi Uchida
Abstract: Physical dynamical systems can be viewed as natural information processors: their systems preserve, transform, and disperse input information. This perspective motivates learning not only from data generated by such systems, but also how to measure them in a way that extracts the most useful information for a given task. We propose a general computing framework for adaptive information extraction from dynamical systems, in which a trainable attention module learns both where to probe the system state and how to combine these measurements to optimize prediction performance. As a concrete instantiation, we implement this idea using a spatiotemporal field governed by a partial differential equation as the underlying dynamics, though the framework applies equally to any system whose state can be sampled. Our results show that adaptive spatial sensing significantly improves prediction accuracy on canonical chaotic benchmarks. This work provides a perspective on attention-enhanced reservoir computing as a special case of a broader paradigm: neural networks as trainable measurement devices for extracting information from physical dynamical systems.
Authors: Septian Enggar Sukmana (Kyushu Institute of Technology), Sang Won Bae (Stevens Institute of Technology), Tomohiro Shibata (Kyushu Institute of Technology)
Abstract: Freezing of Gait (FOG) is a debilitating motor symptom commonly experienced by individuals with Parkinson's Disease (PD) which often leads to falls and reduced mobility. Timely and accurate prediction of FOG episodes is essential for enabling proactive interventions through assistive technologies. This study presents a reinforcement learning-based framework designed to identify optimal pre-FOG onset points, thereby extending the prediction horizon for anticipatory cueing systems. The model implements a Double Deep Q-Network (DDQN) architecture enhanced with Prioritized Experience Replay (PER) allowing the agent to focus learning on high-impact experiences and refine its policy. Trained over 9000 episodes with a reward shaping strategy that promotes cautious decision-making, the agent demonstrated robust performance in both subject-dependent and subject-independent evaluations. The model achieved a prediction horizon of up to 8.72 seconds prior to FOG onset in subject-independent scenarios and 7.89 seconds in subject-dependent settings. These results highlight the model's potential for integration into wearable assistive devices, offering timely and personalized interventions to mitigate FOG in PD patients.
Authors: Jiaqi Lv, Qingfeng Du, Yu Zhang, Yongqi Han, Sheng Li
Abstract: Graph Neural Networks (GNNs) have emerged as a powerful framework for processing graph-structured data. However, conventional GNNs and their variants are inherently limited by the homophily assumption, leading to degradation in performance on heterophilic graphs. Although substantial efforts have been made to mitigate this issue, they remain constrained by the message-passing paradigm, which is inherently rooted in homophily. In this paper, a detailed analysis of how the underlying label autocorrelation of the homophily assumption introduces bias into GNNs is presented. We innovatively leverage a negative feedback mechanism to correct the bias and propose Graph Negative Feedback Bias Correction (GNFBC), a simple yet effective framework that is independent of any specific aggregation strategy. Specifically, we introduce a negative feedback loss that penalizes the sensitivity of predictions to label autocorrelation. Furthermore, we incorporate the output of graph-agnostic models as a feedback term, leveraging independent node feature information to counteract correlation-induced bias guided by Dirichlet energy. GNFBC can be seamlessly integrated into existing GNN architectures, improving overall performance with comparable computational and memory overhead.
Authors: Xuan Yang, Hsi-Wen Chen, Ming-Syan Chen, Jian Pei
Abstract: The Shapley value provides a principled foundation for data valuation, but exact computation is #P-hard due to the exponential coalition space. Existing accelerations remain global and ignore a structural property of modern predictors: for a given test instance, only a small subset of training points influences the prediction. We formalize this model-induced locality through support sets defined by the model's computational pathway (e.g., neighbors in KNN, leaves in trees, receptive fields in GNNs), showing that Shapley computation can be projected onto these supports without loss when locality is exact. This reframes Shapley evaluation as a structured data processing problem over overlapping support-induced subset families rather than exhaustive coalition enumeration. We prove that the intrinsic complexity of Local Shapley is governed by the number of distinct influential subsets, establishing an information-theoretic lower bound on retraining operations. Guided by this result, we propose LSMR (Local Shapley via Model Reuse), an optimal subset-centric algorithm that trains each influential subset exactly once via support mapping and pivot scheduling. For larger supports, we develop LSMR-A, a reuse-aware Monte Carlo estimator that remains unbiased with exponential concentration, with runtime determined by the number of distinct sampled subsets rather than total draws. Experiments across multiple model families demonstrate substantial retraining reductions and speedups while preserving high valuation fidelity.
Authors: Sophia Sklaviadis, Thomas Moellenhoff, Andre F. T. Martins, Mario A. T. Figueiredo, Mohammad Emtiyaz Khan
Abstract: Stein's identity is a fundamental tool in machine learning with applications in generative models, stochastic optimization, and other problems involving gradients of expectations under Gaussian distributions. Less attention has been paid to problems with non-Gaussian expectations. Here, we consider the class of bounded-support $q$-Gaussians and derive a new Stein identity leading to gradient estimators which have nearly identical forms to the Gaussian ones, and which are similarly easy to implement. We do this by extending the previous results of Landsman, Vanduffel, and Yao (2013) to prove new Bonnet- and Price-type theorems for q-Gaussians. We also simplify their forms by using escort distributions. Our experiments show that bounded-support distributions can reduce the variance of gradient estimators, which can potentially be useful for Bayesian deep learning and sharpness-aware minimization. Overall, our work simplifies the application of Stein's identity for an important class of non-Gaussian distributions.
Authors: Yifan Zhu, Yibo Miao, Yinpeng Dong, Xiao-Shan Gao
Abstract: The volume of freely scraped data on the Internet has driven the tremendous success of deep learning. Along with this comes the growing concern about data privacy and security. Numerous methods for generating unlearnable examples have been proposed to prevent data from being illicitly learned by unauthorized deep models by impeding generalization. However, the existing approaches primarily rely on empirical heuristics, making it challenging to enhance unlearnable examples with solid explanations. In this paper, we analyze and improve unlearnable examples from a novel perspective: mutual information reduction. We demonstrate that effective unlearnable examples always decrease mutual information between clean features and poisoned features, and when the network gets deeper, the unlearnability goes better together with lower mutual information. Further, we prove from a covariance reduction perspective that minimizing the conditional covariance of intra-class poisoned features reduces the mutual information between distributions. Based on the theoretical results, we propose a novel unlearnable method called Mutual Information Unlearnable Examples (MI-UE) that reduces covariance by maximizing the cosine similarity among intra-class features, thus impeding the generalization effectively. Extensive experiments demonstrate that our approach significantly outperforms the previous methods, even under defense mechanisms.
Authors: Taha Racicot
Abstract: High-stakes synthetic data generation faces a fundamental Quadrilemma: achieving Fidelity to the original distribution, Control over complex logical constraints, Reliability in uncertainty estimation, and Efficiency in computational cost -- simultaneously. State-of-the-art Deep Generative Models (CTGAN, TabDDPM) excel at fidelity but rely on inefficient rejection sampling for continuous range constraints. Conversely, Structural Causal Models offer logical control but struggle with high-dimensional fidelity and complex noise inversion. We introduce JANUS (Joint Ancestral Network for Uncertainty and Synthesis), a framework that unifies these capabilities using a DAG of Bayesian Decision Trees. Our key innovation is Reverse-Topological Back-filling, an algorithm that propagates constraints backwards through the causal graph, achieving 100% constraint satisfaction on feasible constraint sets without rejection sampling. This is paired with an Analytical Uncertainty Decomposition derived from Dirichlet priors, enabling 128x faster uncertainty estimation than Monte Carlo methods. Across 15 datasets and 523 constrained scenarios, JANUS achieves state-of-the-art fidelity (Detection Score 0.497), eliminates mode collapse on imbalanced data, and provides exact handling of complex inter-column constraints (e.g., Salary_offered >= Salary_requested) where baselines fail entirely.
Authors: Zonglin Yang, Lidong Bing
Abstract: While large language models (LLMs) show promise in scientific discovery, existing research focuses on inference or feedback-driven training, leaving the direct modeling of the generative reasoning process, $P(\text{hypothesis}|\text{background})$ ($P(h|b)$), unexplored. We demonstrate that directly training $P(h|b)$ is mathematically intractable due to the combinatorial complexity ($O(N^k)$) inherent in retrieving and composing inspirations from a vast knowledge base. To break this barrier, we introduce MOOSE-Star, a unified framework enabling tractable training and scalable inference. In the best case, MOOSE-Star reduces complexity from exponential to logarithmic ($O(\log N)$) by (1) training on decomposed subtasks derived from the probabilistic equation of discovery, (2) employing motivation-guided hierarchical search to enable logarithmic retrieval and prune irrelevant subspaces, and (3) utilizing bounded composition for robustness against retrieval noise. To facilitate this, we release TOMATO-Star, a dataset of 108,717 decomposed papers (38,400 GPU hours) for training. Furthermore, we show that while brute-force sampling hits a ''complexity wall,'' MOOSE-Star exhibits continuous test-time scaling.
Authors: Seungha Hong, Sanghwan Jang, Wonbin Kweon, Suyeon Kim, Gyuseok Lee, Hwanjo Yu
Abstract: Time Series forecasting (TSF) in the modern era faces significant computational and storage cost challenges due to the massive scale of real-world data. Dataset Distillation (DD), a paradigm that synthesizes a small, compact dataset to achieve training performance comparable to that of the original dataset, has emerged as a promising solution. However, conventional DD methods are not tailored for time series and suffer from architectural overfitting and limited scalability. To address these issues, we propose Harmonic Dataset Distillation for Time Series Forecasting (HDT). HDT decomposes the time series into its sinusoidal basis through the FFT and aligns the core periodic structure by Harmonic Matching. Since this process operates in the frequency domain, all updates during distillation are applied globally without disrupting temporal dependencies of time series. Extensive experiments demonstrate that HDT achieves strong cross-architecture generalization and scalability, validating its practicality for large-scale, real-world applications.
Authors: Wenhao Jiang, Shaojing Fu, Yuchuan Luo, Lin Liu
Abstract: A typical Vertical Federated Learning (VFL) scenario involves several participants collaboratively training a machine learning model, where each party has different features for the same samples, with labels held exclusively by one party. Since labels contain sensitive information, VFL must ensure the privacy of labels. However, existing VFL-targeted label inference attacks are either limited to specific scenarios or require auxiliary data, rendering them impractical in real-world applications. We introduce a novel Label Enumeration Attack (LEA) that, for the first time, achieves applicability across multiple VFL scenarios and eschews the need for auxiliary data. Our intuition is that an adversary, employing clustering to enumerate mappings between samples and labels, ascertains the accurate label mappings by evaluating the similarity between the benign model and the simulated models trained under each mapping. To achieve that, the first challenge is how to measure model similarity, as models trained on the same data can have different weights. Drawing from our findings, we propose an efficient approach for assessing congruence based on the cosine similarity of the first-round loss gradients, which offers superior efficiency and precision compared to the comparison of parameter similarities. However, the computational cost may be prohibitive due to the necessity of training and comparing the vast number of simulated models generated through enumeration. To overcome this challenge, we propose Binary-LEA from the perspective of reducing the number of models and eliminating futile training, which lowers the number of enumerations from n! to n^3. Moreover, LEA is resilient against common defense mechanisms such as gradient noise and gradient compression.
Authors: Yuqi Kong, Xiao Zhang, Weiran Shen
Abstract: We study the Inverse Contextual Bandit (ICB) problem, in which a learner seeks to optimize a policy while an observer, who cannot access the learner's rewards and only observes actions, aims to recover the underlying problem parameters. During the learning process, the learner's behavior naturally transitions from exploration to exploitation, resulting in non-stationary action data that poses significant challenges for the observer. To address this issue, we propose a simple and effective framework called Two-Phase Suffix Imitation. The framework discards data from an initial burn-in phase and performs empirical risk minimization using only data from a subsequent imitation phase. We derive a predictive decision loss bound that explicitly characterizes the bias-variance trade-off induced by the choice of burn-in length. Despite the severe information deficit, we show that a reward-free observer can achieve a convergence rate of $\tilde O(1/\sqrt{N})$, matching the asymptotic efficiency of a fully reward-aware learner. This result demonstrates that a passive observer can effectively uncover the optimal policy from actions alone, attaining performance comparable to that of the learner itself.
Authors: Taejun Lim, Joong-Won Hwang, Kibok Lee
Abstract: When continual test-time adaptation (TTA) persists over the long term, errors accumulate in the model and further cause it to predict only a few classes for all inputs, a phenomenon known as model collapse. Recent studies have explored reset strategies that completely erase these accumulated errors. However, their periodic resets lead to suboptimal adaptation, as they occur independently of the actual risk of collapse. Moreover, their full resets cause catastrophic loss of knowledge acquired over time, even though such knowledge could be beneficial in the future. To this end, we propose (1) an Adaptive and Selective Reset (ASR) scheme that dynamically determines when and where to reset, (2) an importance-aware regularizer to recover essential knowledge lost due to reset, and (3) an on-the-fly adaptation adjustment scheme to enhance adaptability under challenging domain shifts. Extensive experiments across long-term TTA benchmarks demonstrate the effectiveness of our approach, particularly under challenging conditions. Our code is available at https://github.com/YonseiML/asr.
Authors: Yanbo Wang, Jiaxuan You, Chuan Shi, Muhan Zhang
Abstract: Relational Databases (RDBs) are the backbone of modern business, yet they lack foundation models comparable to those in text or vision. A key obstacle is that high-quality RDBs are private, scarce and structurally heterogeneous, making internet-scale pre-training infeasible. To overcome this data scarcity, We introduce $\textbf{RDB-PFN}$, the first relational foundation model trained purely via $\textbf{synthetic data}$. Inspired by Prior-Data Fitted Networks (PFNs) where synthetic data generated from Structural Causal Models (SCMs) enables reasoning on single tables, we design a $\textbf{Relational Prior Generator}$ to create an infinite stream of diverse RDBs from scratch. Pre-training on $\textbf{over 2 million}$ synthetic single-table and relational tasks, RDB-PFN learns to adapt to any new database instantly via genuine $\textbf{in-context learning}$. Experiments verify RDB-PFN achieves strong few-shot performance on 19 real-world relational prediction tasks, outperforming graph-based and single-table foundation-model baselines (given the same DFS-linearized inputs), while using a lightweight architecture and fast inference. The code is available at https://github.com/MuLabPKU/RDBPFN
Authors: Huihan Liu, Changyeon Kim, Bo Liu, Minghuan Liu, Yuke Zhu
Abstract: Continual learning is a long-standing challenge in robot policy learning, where a policy must acquire new skills over time without catastrophically forgetting previously learned ones. While prior work has extensively studied continual learning in relatively small behavior cloning (BC) policy models trained from scratch, its behavior in modern large-scale pretrained Vision-Language-Action (VLA) models remains underexplored. In this work, we found that pretrained VLAs are remarkably resistant to forgetting compared with smaller policy models trained from scratch. Simple Experience Replay (ER) works surprisingly well on VLAs, sometimes achieving zero forgetting even with a small replay data size. Our analysis reveals that pretraining plays a critical role in downstream continual learning performance: large pretrained models mitigate forgetting with a small replay buffer size while maintaining strong forward learning capabilities. Furthermore, we found that VLAs can retain relevant knowledge from prior tasks despite performance degradation during learning new tasks. This knowledge retention enables rapid recovery of seemingly forgotten skills through finetuning. Together, these insights imply that large-scale pretraining fundamentally changes the dynamics of continual learning, enabling models to continually acquire new skills over time with simple replay. Code and more information can be found at https://ut-austin-rpl.github.io/continual-vla
Authors: Yun Lu, Xiaoyu Shi, Hong Xie, Xiangyu Zhao, Mingsheng Shang
Abstract: Interactive recommender systems (IRS) are increasingly optimized with Reinforcement Learning (RL) to capture the sequential nature of user-system dynamics. However, existing fairness-aware methods often suffer from a fundamental oversight: they assume the observed user state is a faithful representation of true preferences. In reality, implicit feedback is contaminated by popularity-driven noise and exposure bias, creating a distorted state that misleads the RL agent. We argue that the persistent conflict between accuracy and fairness is not merely a reward-shaping issue, but a state estimation failure. In this work, we propose \textbf{DSRM-HRL}, a framework that reformulates fairness-aware recommendation as a latent state purification problem followed by decoupled hierarchical decision-making. We introduce a Denoising State Representation Module (DSRM) based on diffusion models to recover the low-entropy latent preference manifold from high-entropy, noisy interaction histories. Built upon this purified state, a Hierarchical Reinforcement Learning (HRL) agent is employed to decouple conflicting objectives: a high-level policy regulates long-term fairness trajectories, while a low-level policy optimizes short-term engagement under these dynamic constraints. Extensive experiments on high-fidelity simulators (KuaiRec, KuaiRand) demonstrate that DSRM-HRL effectively breaks the "rich-get-richer" feedback loop, achieving a superior Pareto frontier between recommendation utility and exposure equity.
Authors: Nikita Zeulin, Olga Galinina, Ravikumar Balakrishnan, Nageen Himayat, Sergey Andreev
Abstract: Overparameterized machine learning (ML) methods such as neural networks may be prohibitively resource intensive for devices with limited computational capabilities. Hyperdimensional computing (HDC) is an emerging resource efficient and low-complexity ML method that allows hardware efficient implementations of (re-)training and inference procedures. In this paper, we propose a maximum-margin HDC classifier, which significantly outperforms baseline HDC methods on several benchmark datasets. Our method leverages a formal relation between HDC and support vector machines (SVMs) that we established for the first time. Our findings may inspire novel HDC methods with potentially more hardware-oriented implementations compared to SVMs, thus enabling more efficient learning solutions for various intelligent resource-constrained applications.
Authors: Wang Jian, Shen Hong, Ke Wei, Liu Xue Hua
Abstract: While federated learning protects data privacy, it also makes the model update process vulnerable to long-term stealthy perturbations. Existing studies on backdoor attacks in federated learning mainly focus on trigger design or poisoning strategies, typically assuming that identical perturbations behave similarly across different model architectures. This assumption overlooks the impact of model structure on perturbation effectiveness. From a structure-aware perspective, this paper analyzes the coupling relationship between model architectures and backdoor perturbations. We introduce two metrics, Structural Responsiveness Score (SRS) and Structural Compatibility Coefficient (SCC), to measure a model's sensitivity to perturbations and its preference for fractal perturbations. Based on these metrics, we develop a structure-aware fractal perturbation injection framework (TFI) to study the role of architectural properties in the backdoor injection process. Experimental results show that model architecture significantly influences the propagation and aggregation of perturbations. Networks with multi-path feature fusion can amplify and retain fractal perturbations even under low poisoning ratios, while models with low structural compatibility constrain their effectiveness. Further analysis reveals a strong correlation between SCC and attack success rate, suggesting that SCC can predict perturbation survivability. These findings highlight that backdoor behaviors in federated learning depend not only on perturbation design or poisoning intensity but also on the interaction between model architecture and aggregation mechanisms, offering new insights for structure-aware defense design.
Authors: Lilian Marey, Tiphaine Viard, Charlotte Laclau
Abstract: Link prediction (LP) plays a central role in graph-based applications, particularly in social recommendation. However, real-world graphs often reflect structural biases, most notably homophily, the tendency of nodes with similar attributes to connect. While this property can improve predictive performance, it also risks reinforcing existing social disparities. In response, fairness-aware LP methods have emerged, often seeking to mitigate these effects by promoting inter-group connections, that is, links between nodes with differing sensitive attributes (e.g., gender), following the principle of dyadic fairness. However, dyadic fairness overlooks potential disparities within the sensitive groups themselves. To overcome this issue, we propose $k$-hop fairness, a structural notion of fairness for LP, that assesses disparities conditioned on the distance between nodes in the graph. We formalize this notion through predictive fairness and structural bias metrics, and propose pre- and post-processing mitigation strategies. Experiments across standard LP benchmarks reveal: (1) a strong tendency of models to reproduce structural biases at different $k$-hops; (2) interdependence between structural biases at different hops when rewiring graphs; and (3) that our post-processing method achieves favorable $k$-hop performance-fairness trade-offs compared to existing fair LP baselines.
Authors: Xizhong Yang, Haotian Zhang, Huiming Wang, Mofei Song
Abstract: Large Reasoning Models have demonstrated remarkable performance with the advancement of test-time scaling techniques, which enhances prediction accuracy by generating multiple candidate responses and selecting the most reliable answer. While prior work has analyzed that internal model signals like confidence scores can partly indicate response correctness and exhibit a distributional correlation with accuracy, such distributional information has not been fully utilized to guide answer selection. Motivated by this, we propose DistriVoting, which incorporates distributional priors as another signal alongside confidence during voting. Specifically, our method (1) first decomposes the mixed confidence distribution into positive and negative components using Gaussian Mixture Models, (2) then applies a reject filter based on positive/negative samples from them to mitigate overlap between the two distributions. Besides, to further alleviate the overlap from the perspective of distribution itself, we propose SelfStepConf, which uses step-level confidence to dynamically adjust inference process, increasing the separation between the two distributions to improve the reliability of confidences in voting. Experiments across 16 models and 5 benchmarks demonstrate that our method significantly outperforms state-of-the-art approaches.
Authors: Hiroki Tomioka, Genta Yoshimura
Abstract: Time series forecasting, which predicts future values from past observations, plays a central role in many domains and has driven the development of highly accurate neural network models. However, the complexity of these models often limits human understanding of the rationale behind their predictions. We propose PatchDecomp, a neural network-based time series forecasting method that achieves both high accuracy and interpretability. PatchDecomp divides input time series into subsequences (patches) and generates predictions by aggregating the contributions of each patch. This enables clear attribution of each patch, including those from exogenous variables, to the final prediction. Experiments on multiple benchmark datasets demonstrate that PatchDecomp provides predictive performance comparable to recent forecasting methods. Furthermore, we show that the model's explanations not only influence predicted values quantitatively but also offer qualitative interpretability through visualization of patch-wise contributions.
Authors: Yuhan Xie, Chen Lyu
Abstract: Model Merging (MM) has emerged as a scalable paradigm for multi-task learning (MTL), enabling multiple task-specific models to be integrated without revisiting the original training data. Despite recent progress, the reliability of MM under test-time distribution shift remains insufficiently understood. Most existing MM methods typically assume that test data are clean and distributionally aligned with both the training and auxiliary sources. However, this assumption rarely holds in practice, often resulting in biased predictions with degraded generalization. To address this issue, we present BD-Merging, a bias-aware unsupervised model merging framework that explicitly models uncertainty to achieve adaptive reliability under distribution shift. First, BD-Merging introduces a joint evidential head that learns uncertainty over a unified label space, capturing cross-task semantic dependencies in MM. Second, building upon this evidential foundation, we propose an Adjacency Discrepancy Score (ADS) that quantifies evidential alignment among neighboring samples. Third, guided by ADS, a discrepancy-aware contrastive learning mechanism refines the merged representation by aligning consistent samples and separating conflicting ones. Combined with general unsupervised learning, this process trains a debiased router that adaptively allocates task-specific or layer-specific weights on a per-sample basis, effectively mitigating the adverse effects of distribution shift. Extensive experiments across diverse tasks demonstrate that BD-Merging achieves superior effectiveness and robustness compared to state-of-the-art MM baselines.
Authors: Pengyu Zhang, Arnaud Vadeboncoeur, Alex Glyn-Davies, Mark Girolami
Abstract: Inverse problems are the task of calibrating models to match data. They play a pivotal role in diverse engineering applications by allowing practitioners to align models with reality. In many applications, engineers and scientists do not have a complete picture of i) the detailed properties of a system (such as material properties, geometry, initial conditions, etc.); ii) the complete laws describing all dynamics at play (such as friction laws, complicated damping phenomena, and general nonlinear interactions). In this paper, we develop a principled methodology for leveraging data from collections of distinct yet related physical systems to jointly estimate the individual model parameters of each system, and learn the shared unknown dynamics in the form of an ML-based closure model. To robustly infer the unknown parameters for each system, we employ a hierarchical Bayesian framework, which allows for the joint inference of multiple systems and their population-level statistics. To learn the closures, we use a maximum marginal likelihood estimate of a neural network embeded within the ODE/PDE formulation of the problem. To realize this framework we utilize the ensemble Metropolis-Adjusted Langevin Algorithm (MALA) for stable and efficient sampling. To mitigate the computational bottleneck of repetitive forward evaluations in solving inverse problems, we introduce a bilevel optimization strategy to simultaneously train a surrogate forward model alongside the inference. Within this framework, we evaluate and compare distinct surrogate architectures, specifically Fourier Neural Operators (FNO) and parametric Physics-Informed Neural Network (PINNs).
Authors: Cong Liu, Chengyue Gong, Zhenyu Liu, Jiale Zhao, Yuxuan Zhang
Abstract: Generative models hold great promise for accelerating material discovery but are often limited by their inflexible single-stage generative process in designing valid and diverse materials. To address this, we propose a two-stage generative framework, Lang2Str, that combines the strengths of large language models (LLMs) and flow-based models for flexible and precise material generation. Our method frames the generative process as a conditional generative task, where an LLM provides high-level conditions by generating descriptions of material unit cells' geometric layouts and properties. These descriptions, informed by the LLM's extensive background knowledge, ensure reasonable structure designs. A conditioned flow model then decodes these textual conditions into precise continuous coordinates and unit cell parameters. This staged approach combines the structured reasoning of LLMs and the distribution modeling capabilities of flow models. Experimental results show that our method achieves competitive performance on \textit{ab initio} material generation and crystal structure prediction tasks, with generated structures exhibiting closer alignment to ground truth in both geometry and energy levels, surpassing state-of-the-art models. The flexibility and modularity of our framework further enable fine-grained control over the generation process, potentially leading to more efficient and customizable material design.
Authors: Chengxuan Lu, Zhenquan Zhang, Shukuan Wang, Qunzhi Lin, Baigui Sun, Yang Liu
Abstract: Post-training with reinforcement learning (RL) has recently shown strong promise for advancing multimodal agents beyond supervised imitation. However, RL remains limited by poor data efficiency, particularly in settings where interaction data are scarce and quickly become outdated. To address this challenge, GIPO (Gaussian Importance sampling Policy Optimization) is proposed as a policy optimization objective based on truncated importance sampling, replacing hard clipping with a log-ratio-based Gaussian trust weight to softly damp extreme importance ratios while maintaining non-zero gradients. Theoretical analysis shows that GIPO introduces an implicit, tunable constraint on the update magnitude, while concentration bounds guarantee robustness and stability under finite-sample estimation. Experimental results show that GIPO achieves state-of-the-art performance among clipping-based baselines across a wide range of replay buffer sizes, from near on-policy to highly stale data, while exhibiting superior bias--variance trade-off, high training stability and improved sample efficiency.
Authors: Hantong Feng, Yonggang Wu, Duxin Chen, Wenwu Yu
Abstract: Dynamic link prediction plays a crucial role in diverse applications including social network analysis, communication forecasting, and financial modeling. While recent Transformer-based approaches have demonstrated promising results in temporal graph learning, their performance remains limited when capturing complex multi-scale temporal dynamics. In this paper, we propose TFWaveFormer, a novel Transformer architecture that integrates temporal-frequency analysis with multi-resolution wavelet decomposition to enhance dynamic link prediction. Our framework comprises three key components: (i) a temporal-frequency coordination mechanism that jointly models temporal and spectral representations, (ii) a learnable multi-resolution wavelet decomposition module that adaptively extracts multi-scale temporal patterns through parallel convolutions, replacing traditional iterative wavelet transforms, and (iii) a hybrid Transformer module that effectively fuses local wavelet features with global temporal dependencies. Extensive experiments on benchmark datasets demonstrate that TFWaveFormer achieves state-of-the-art performance, outperforming existing Transformer-based and hybrid models by significant margins across multiple metrics. The superior performance of TFWaveFormer validates the effectiveness of combining temporal-frequency analysis with wavelet decomposition in capturing complex temporal dynamics for dynamic link prediction tasks.
Authors: Soochul Park, Yeon Ju Lee
Abstract: Diffusion models achieve state-of-the-art image quality. However, sampling is costly at inference time because it requires a large number of function evaluations (NFEs). To reduce NFEs, classical ODE numerical methods have been adopted. Yet, the choice of prediction type and integration domain leads to different sampling behaviors. To address these issues, we introduce Dual-Solver, which generalizes multistep samplers through learnable parameters that continuously (i) interpolate among prediction types, (ii) select the integration domain, and (iii) adjust the residual terms. It retains the standard predictor-corrector structure while preserving second-order local accuracy. These parameters are learned via a classification-based objective using a frozen pretrained classifier (e.g., MobileNet or CLIP). For ImageNet class-conditional generation (DiT, GM-DiT) and text-to-image generation (SANA, PixArt-$\alpha$), Dual-Solver improves FID and CLIP scores in the low-NFE regime ($3 \le$ NFE $\le 9$) across backbones.
Authors: M. Sagitova, O. Duranthon, L. Zdeborov\'a
Abstract: Multi-head attention enables transformer models to represent multiple attention patterns simultaneously. Empirically, head specialization emerges in distinct stages during training, while many heads remain redundant and learn similar representations. We propose a theoretical model capturing this phenomenon, based on the multi-index and single-location regression frameworks. In the first part, we analyze the training dynamics of multi-head softmax attention under SGD, revealing an initial unspecialized phase followed by a multi-stage specialization phase in which different heads sequentially align with latent signal directions. In the second part, we study the impact of attention activation functions on performance. We show that softmax-1 significantly reduces noise from irrelevant heads. Finally, we introduce the Bayes-softmax attention, which achieves optimal prediction performance in this setting.
Authors: Zailong Tian, Yanzhe Chen, Zhuoheng Han, Lizi Liao
Abstract: Low-Rank Adaptation (LoRA) improves downstream performance by restricting task updates to a low-rank parameter subspace, yet how this limited capacity is allocated within a trained adapter remains unclear. Through a geometric and empirical study across multiple tasks and backbones, we find that trained LoRA updates often exhibit an inefficient spectrum: task effects concentrate in a small subset of singular directions, while many remaining components are neutral or detrimental, motivating post-hoc refinement within the learned subspace. We propose Spectral Surgery, a training-free refinement that decomposes a LoRA update with SVD, estimates per-component sensitivity using gradients on a small calibration set, and reweights singular values under a magnitude constraint while keeping the learned directions fixed. Across Llama-3.1-8B and Qwen3-8B on four benchmarks, Spectral Surgery yields consistent gains (up to +4.4 points on CommonsenseQA and +2.4 pass@1 on HumanEval) by adjusting only $\approx 1{,}000$ scalar coefficients. These results demonstrate that SVD-structured, low-cost parameter editing can serve as a practical route to improving trained LoRA adapters in a purely post-hoc manner.
Authors: Shen-Huan Lyu, Rong-Xi Tan, Ke Xue, Yi-Xiao He, Yu Huang, Qingfu Zhang, Chao Qian
Abstract: Offline model-based optimization (MBO) seeks to discover high-performing designs using only a fixed dataset of past evaluations. Most existing methods rely on learning a surrogate model via regression and implicitly assume that good predictive accuracy leads to good optimization performance. In this work, we challenge this assumption and study offline MBO from a learnability perspective. We argue that offline optimization is fundamentally a problem of ranking high-quality designs rather than accurate value prediction. Specifically, we introduce an optimization-oriented risk based on ranking between near-optimal and suboptimal designs, and develop a unified theoretical framework that connects surrogate learning to final optimization. We prove the theoretical advantages of ranking over regression, and identify distributional mismatch between the training data and near-optimal designs as the dominant error. Inspired by this, we design a distribution-aware ranking method to reduce this mismatch. Empirical results across various tasks show that our approach outperforms twenty existing methods, validating our theoretical findings. Additionally, both theoretical and empirical results reveal intrinsic limitations in offline MBO, showing a regime in which no offline method can avoid over-optimistic extrapolation.
Authors: Raunak Mukherjee (Indian Institute of Technology, Bombay), Sharayu Moharir (Indian Institute of Technology, Bombay)
Abstract: We study fixed budget constrained best-arm identification in grouped bandits, where each arm consists of multiple independent attributes with stochastic rewards. An arm is considered feasible only if all its attributes' means are above a given threshold. The aim is to find the feasible arm with the largest overall mean. We first derive a lower bound on the error probability for any algorithm on this setting. We then propose Feasibility Constrained Successive Rejects (FCSR), a novel algorithm that identifies the best arm while ensuring feasibility. We show it attains optimal dependence on problem parameters up to constant factors in the exponent. Empirically, FCSR outperforms natural baselines while preserving feasibility guarantees.
Authors: Arther Tian, Alex Ding, Frank Chen, Simon Wu, Aaron Chan
Abstract: Decentralized large language model (LLM) inference networks can pool heterogeneous compute to scale serving, but they require lightweight and incentive-compatible mechanisms to assess output quality. Prior work introduced cost-aware Proof of Quality (PoQ) and adaptive robust PoQ to allocate rewards under evaluator heterogeneity and adversarial behavior. In this paper, we focus on the quality signal itself and propose a multi-dimensional quality scoring framework that decomposes output quality into modular dimensions, including model and cost priors, structure quality, semantic quality, query-output alignment, and agreement/uncertainty. Using logged outputs from QA and summarization tasks, we systematically audit dimension reliability and show that seemingly reasonable dimensions can be task-dependent and even negatively correlated with reference quality without calibration. While the default composite underperforms a strong single semantic evaluator, ablations reveal that removing unreliable dimensions and re-normalizing weights yields a calibrated composite that matches or exceeds the best single- evaluator and consensus baselines. Finally, we integrate the composite score as a drop-in quality signal in PoQ and demonstrate complementary benefits with robust aggregation and adaptive trust weighting under adversarial evaluator attacks.
Authors: Han Xiao
Abstract: mlx-vis is a Python library that implements six dimensionality reduction methods and a k-nearest neighbor graph algorithm entirely in MLX, Apple's array framework for Apple Silicon. The library provides UMAP, t-SNE, PaCMAP, TriMap, DREAMS, CNE, and NNDescent, all executing on Metal GPU through a unified fit_transform interface. Beyond embedding computation, mlx-vis includes a GPU-accelerated circle-splatting renderer that produces scatter plots and smooth animations without matplotlib, composing frames via scatter-add alpha blending on GPU and piping them to hardware H.264 encoding. On Fashion-MNIST with 70,000 points, all methods complete embedding in 2.1-3.8 seconds and render 800-frame animations in 1.4 seconds on an M3 Ultra, with the full pipeline from raw data to rendered video finishing in 3.6-5.2 seconds. The library depends only on MLX and NumPy, is released under the Apache 2.0 license, and is available at https://github.com/hanxiao/mlx-vis.
Authors: Manuel Fern\'andez Burda, Santiago Aranguri, Iv\'an Arcuschin Moreno, Enzo Ferrante
Abstract: Protein language models (PLMs) are becoming practical tools for de novo protein design, yet their dual-use potential raises safety concerns. We show that domain adaptation to specific taxonomic groups can elicit toxic protein generation, even when toxicity is not the training objective. To address this, we adapt Logit Diff Amplification (LDA) as an inference-time control mechanism for PLMs. LDA modifies token probabilities by amplifying the logit difference between a baseline model and a toxicity-finetuned model, requiring no retraining. Across four taxonomic groups, LDA consistently reduces predicted toxicity rate (measured via ToxDL2) below the taxon-finetuned baseline while preserving biological plausibility. We evaluate quality using Fr\'echet ESM Distance and predicted foldability (pLDDT), finding that LDA maintains distributional similarity to natural proteins and structural viability (unlike activation-based steering methods that tend to degrade sequence properties). Our results demonstrate that LDA provides a practical safety knob for protein generators that mitigates elicited toxicity while retaining generative quality.
Authors: Xiangyu Zhong, Xiaojun Yuan, Ying-Jun Angela Zhang
Abstract: Noisy labels in distributed datasets induce severe local overfitting and consequently compromise the global model in federated learning (FL). Most existing solutions rely on selecting clean devices or aligning with public clean datasets, rather than endowing the model itself with robustness. In this paper, we propose FedCova, a dependency-free federated covariance learning framework that eliminates such external reliances by enhancing the model's intrinsic robustness via a new perspective on feature covariances. Specifically, FedCova encodes data into a discriminative but resilient feature space to tolerate label noise. Built on mutual information maximization, we design a novel objective for federated lossy feature encoding that relies solely on class feature covariances with an error tolerance term. Leveraging feature subspaces characterized by covariances, we construct a subspace-augmented federated classifier. FedCova unifies three key processes through the covariance: (1) training the network for feature encoding, (2) constructing a classifier directly from the learned features, and (3) correcting noisy labels based on feature subspaces. We implement FedCova across both symmetric and asymmetric noisy settings under heterogeneous data distribution. Experimental results on CIFAR-10/100 and real-world noisy dataset Clothing1M demonstrate the superior robustness of FedCova compared with the state-of-the-art methods.
Authors: Ziyuan Chen, Yujin Jeong, Tobias Braun, Anna Rohrbach
Abstract: As text-to-image diffusion models become increasingly deployed in real-world applications, concerns about backdoor attacks have gained significant attention. Prior work on text-based backdoor attacks has largely focused on diffusion models conditioned on a single lightweight text encoder. However, more recent diffusion models that incorporate multiple large-scale text encoders remain underexplored in this context. Given the substantially increased number of trainable parameters introduced by multiple text encoders, an important question is whether backdoor attacks can remain both efficient and effective in such settings. In this work, we study Stable Diffusion 3, which uses three distinct text encoders and has not yet been systematically analyzed for text-encoder-based backdoor vulnerabilities. To understand the role of text encoders in backdoor attacks, we define four categories of attack targets and identify the minimal sets of encoders required to achieve effective performance for each attack objective. Based on this, we further propose Multi-Encoder Lightweight aTtacks (MELT), which trains only low-rank adapters while keeping the pretrained text encoder weight frozen. We demonstrate that tuning fewer than 0.2% of the total encoder parameters is sufficient for successful backdoor attacks on Stable Diffusion 3, revealing previously underexplored vulnerabilities in practical attack scenarios in multi-encoder settings.
Authors: Toon Sevenants, Guy Van der Sande, Guy Verschaffelt
Abstract: Analog Ising machines have been proposed as heuristic hardware solvers for combinatorial optimization problems, with the potential to outperform conventional approaches, provided that their hyperparameters are carefully tuned. Their temporal evolution is often described using time-continuous dynamics. However, most experimental implementations rely on measurement-feedback architectures that operate in a time-discrete manner. We observe that in such setups, the range of effective hyperparameters is substantially smaller than in the envisioned time-continuous analog Ising machine. In this paper, we analyze this discrepancy and discuss its impact on the practical operation of Ising machines. Next, we propose and experimentally verify a method to reduce the sensitivity to hyperparameter selection of these measurement-feedback architectures.
Authors: Ayush K. Varshney, \v{S}ar\=unas Girdzijauskas, Konstantinos Vandikas, Aneta Vulgarakis Feljan
Abstract: Learning rate scheduling plays a critical role in the optimization of deep neural networks, directly influencing convergence speed, stability, and generalization. While existing schedulers such as cosine annealing, cyclical learning rates, and warm restarts have shown promise, they often rely on fixed or periodic triggers that are agnostic to the training dynamics, such as stagnation or convergence behavior. In this work, we propose a simple yet effective strategy, which we call Stochastic Gradient Descent with Escalating Restarts (SGD-ER). It adaptively increases the learning rate upon convergence. Our method monitors training progress and triggers restarts when stagnation is detected, linearly escalating the learning rate to escape sharp local minima and explore flatter regions of the loss landscape. We evaluate SGD-ER across CIFAR-10, CIFAR-100, and TinyImageNet on a range of architectures including ResNet-18/34/50, VGG-16, and DenseNet-101. Compared to standard schedulers, SGD-ER improves test accuracy by 0.5-4.5%, demonstrating the benefit of convergence-aware escalating restarts for better local optima.
Authors: Amirhossein Farzam, Hossein Mobahi, Nolan Andrew Miller, Luke Sernau
Abstract: Transformers excel across domains, yet their quadratic attention complexity poses a barrier to scaling. Random-feature attention, as in Performers, can reduce this cost to linear in the sequence length by approximating the softmax kernel with positive random features drawn from an isotropic distribution. In pretrained models, however, queries and keys are typically anisotropic. This induces high Monte Carlo variance in isotropic sampling schemes unless one retrains the model or uses a large feature budget. Importance sampling can address this by adapting the sampling distribution to the input geometry, but complex data-dependent proposal distributions are often intractable. We show that by data aligning the softmax kernel, we obtain an attention mechanism which can both admit a tractable minimal-variance proposal distribution for importance sampling, and exhibits better training stability. Motivated by this finding, we introduce DARKFormer, a Data-Aware Random-feature Kernel transformer that features a data-aligned kernel geometry. DARKFormer learns the random-projection covariance, efficiently realizing an importance-sampled positive random-feature estimator for its data-aligned kernel. Empirically, DARKFormer narrows the performance gap with exact softmax attention, particularly in finetuning regimes where pretrained representations are anisotropic. By combining random-feature efficiency with data-aware kernels, DARKFormer advances kernel-based attention in resource-constrained settings.
Authors: Philipp Danner, Hermann de Meer
Abstract: Several energy management applications rely on accurate photovoltaic generation forecasts. Common metrics like mean absolute error or root-mean-square error, omit error-distribution details needed for stochastic optimization. In addition, several approaches use weather forecasts as inputs without analyzing the source of the prediction error. To overcome this gap, we decompose forecasting into a weather forecast model for environmental parameters such as solar irradiance and temperature and a plant characteristic model that captures site-specific parameters like panel orientation, temperature influence, or regular shading. Satellite-based weather observation serves as an intermediate layer. We analyze the error distribution of the high-resolution rapid-refresh numerical weather prediction model that covers the United States as a black-box model for weather forecasting and train an ensemble of neural networks on historical power output data for the plant characteristic model. Results show mean absolute error increases by 11% and 68% for two selected photovoltaic systems when using weather forecasts instead of satellite-based ground-truth weather observations as a perfect forecast. The generalized hyperbolic and Student's t distributions adequately fit the forecast errors across lead times.
Authors: Hao Liu, Qing Wang, Marco Zuniga
Abstract: Deep learning (DL) models can now run on microcontrollers (MCUs). Through neural architecture search (NAS), we can search DL models that meet the constraints of MCUs. Among various constraints, energy and latency costs of the model inference are critical metrics. To predict them, existing research relies on coarse proxies such as multiply-accumulations (MACs) and model's input parameters, often resulting in inaccurate predictions or requiring extensive data collection. In this paper, we propose InstMeter, a predictor leveraging MCUs' clock cycles to accurately estimate the energy and latency of DL models. Clock cycles are fundamental metrics reflecting MCU operations, directly determining energy and latency costs. Furthermore, a unique property of our predictor is its strong linearity, allowing it to be simple and accurate. We thoroughly evaluate InstMeter under different scenarios, MCUs, and software settings. Compared with state-of-the-art studies, InstMeter can reduce the energy and latency prediction errors by $3\times$ and $6.5\times$, respectively, while requiring $100\times$ and $10\times$ less training data. In the NAS scenario, InstMeter can fully exploit the energy budget, identifying optimal DL models with higher inference accuracy. We also evaluate InstMeter's generalization performance through various experiments on three ARM MCUs (Cortex-M4, M7, M33) and one RISC-V-based MCU (ESP32-C3), different compilation options (-Os, -O2), GCC versions (v7.3, v10.3), application scenarios (keyword spotting, image recognition), dynamic voltage and frequency scaling, temperatures (21{\deg}C, 43{\deg}C), and software settings (TFLMv2.4, TFLMvCI). We will open our source codes and the MCU-specific benchmark datasets.
Authors: Haodong Zhu, Yangyang Ren, Yanjing Li, Mingbao Lin, Linlin Yang, Xuhui Liu, Xiantong Zhen, Haiguang Liu, Baochang Zhang
Abstract: Group Relative Policy Optimization (GRPO) effectively scales LLM reasoning but incurs prohibitive computational costs due to its extensive group-based sampling requirement. While recent selective data utilization methods can mitigate this overhead, they could induce estimation bias by altering the underlying sampling distribution, compromising theoretical rigor and convergence behavior. To address this limitation, we propose Dynamic Pruning Policy Optimization (DPPO), a framework that enables dynamic pruning while preserving unbiased gradient estimation through importance sampling-based correction. By incorporating mathematically derived rescaling factors, DPPO significantly accelerates GRPO training without altering the optimization objective of the full-batch baseline. Furthermore, to mitigate the data sparsity induced by pruning, we introduce Dense Prompt Packing, a window-based greedy strategy that maximizes valid token density and hardware utilization. Extensive experiments demonstrate that DPPO consistently accelerates training across diverse models and benchmarks. For instance, on Qwen3-4B trained on MATH, DPPO achieves 2.37$\times$ training speedup and outperforms GRPO by 3.36% in average accuracy across six mathematical reasoning benchmarks.
Authors: Davide Gabrielli, Paola Velardi, Stefano Faralli, Bardh Prenkaj
Abstract: Continuous physiological monitoring is central to emergency care, yet deploying trustworthy AI is challenging. While LLMs can translate complex physiological signals into clinical narratives, it is unclear how agentic systems perform relative to zero-shot inference. To address these questions, we present Vivaldi, a role-structured multi-agent system that explains multivariate physiological time series. Due to regulatory constraints that preclude live deployment, we instantiate Vivaldi in a controlled, clinical pilot to a small, highly qualified cohort of emergency medicine experts, whose evaluations reveal a context-dependent picture that contrasts with prevailing assumptions that agentic reasoning uniformly improves performance. Our experiments show that agentic pipelines substantially benefit non-thinking and medically fine-tuned models, improving expert-rated explanation justification and relevance by +6.9 and +9.7 points, respectively. Contrarily, for thinking models, agentic orchestration often degrades explanation quality, including a 14-point drop in relevance, while improving diagnostic precision (ESI F1 +3.6). We also find that explicit tool-based computation is decisive for codifiable clinical metrics, whereas subjective targets, such as pain scores and length of stay, show limited or inconsistent changes. Expert evaluation further indicates that gains in clinical utility depend on visualization conventions, with medically specialized models achieving the most favorable trade-offs between utility and clarity. Together, these findings show that the value of agentic AI lies in the selective externalization of computation and structure rather than in maximal reasoning complexity, and highlight concrete design trade-offs and learned lessons, broadly applicable to explainable AI in safety-critical healthcare settings.
Authors: Jay Noon
Abstract: We introduce the Probability Navigation Architecture (PNA) framework, which treats neural computation as navigation through a probability manifold governed by thermodynamic principles. We train State Space Models (SSMs) and Transformers with a novel thermodynamic loss function that penalizes computational waste alongside standard cross-entropy. Across 19 experimental phases, we discover that thermodynamically-trained SSMs develop architectural proprioception: a strong anticipatory coupling between recurrent state entropy and halt confidence (r = -0.836, p < 0.001) in which the halt signal leads state entropy collapse by exactly two tokens (tau = -2.0). This Universal Stopping Signature (USS) reproduces to four decimal places across random seeds and generalizes to a structurally distinct sorting task. Critically, Transformers trained identically show no such coupling (r = -0.07), demonstrating that the phenomenon is architecture-dependent. Cross-task transfer experiments confirm that SSM halt detection reflects genuine meta-cognition (zero-shot transfer F1: SSMs 64.2% vs. Transformers 69.3%; post-adaptation: SSMs 94.5% vs. Transformers 86.4%), while Transformer halt detection relies on syntactic pattern matching. A 2D hyperparameter sweep over energy penalty (alpha) and halt supervision (beta) reveals that the anticipatory coupling is continuously controllable through training, with thermodynamic pressure serving as the primary induction mechanism and explicit halt supervision as an amplifier. Our results establish that SSMs are thermodynamically native architectures whose fixed-size recurrent states naturally support the Markovian compression that enables computational self-awareness, with implications for cost-aware inference, dynamic token budgets, and confidence-based routing in production systems.
Authors: Ameer Alhashemi
Abstract: Harmful algal blooms (HABs) can threaten coastal infrastructure, fisheries, and desalination dependent water supplies. This project (REDNET-ML) develops a reproducible machine learning pipeline for HAB risk detection along the Omani coastline using multi sensor satellite data and non leaky evaluation. The system fuses (i) Sentinel-2 optical chips (high spatial resolution) processed into spectral indices and texture signals, (ii) MODIS Level-3 ocean color and thermal indicators, and (iii) learned image evidence from object detectors trained to highlight bloom like patterns. A compact decision fusion model (CatBoost) integrates these signals into a calibrated probability of HAB risk, which is then consumed by an end to end inference workflow and a risk field viewer that supports operational exploration by site (plant) and time. The report documents the motivation, related work, methodological choices (including label mining and strict split strategies), implementation details, and a critical evaluation using AUROC/AUPRC, confusion matrices, calibration curves, and drift analyses that quantify distribution shift in recent years.
Authors: Patrick Wilhelm, Inese Yilmaz, Odej Kao
Abstract: Training large-scale Neural Networks requires substantial computational power and energy. Federated Learning enables distributed model training across geospatially distributed data centers, leveraging renewable energy sources to reduce the carbon footprint of AI training. Various client selection strategies have been developed to align the volatility of renewable energy with stable and fair model training in a federated system. However, due to the privacy-preserving nature of Federated Learning, the quality of data on client devices remains unknown, posing challenges for effective model training. In this paper, we introduce a modular approach on top to state-of-the-art client selection strategies for carbon-efficient Federated Learning. Our method enhances robustness by incorporating a noisy client data filtering, improving both model performance and sustainability in scenarios with unknown data quality. Additionally, we explore the impact of carbon budgets on model convergence, balancing efficiency and sustainability. Through extensive evaluations, we demonstrate that modern client selection strategies based on local client loss tend to select clients with noisy data, ultimately degrading model performance. To address this, we propose a gradient norm thresholding mechanism using probing rounds for more effective client selection and noise detection, contributing to the practical deployment of carbon-efficient Federated Learning.
Authors: Matteo De Sanctis, Riccardo De Sanctis, Stefano Faralli, Paola Velardi, Bardh Prenkaj
Abstract: Graph Neural Networks (GNNs) are increasingly adopted across domains such as molecular biology and social network analysis, yet their black-box nature hinders interpretability and trust. This is especially problematic in high-stakes applications, such as predicting molecule toxicity, drug discovery, or guiding financial fraud detections, where transparent explanations are essential. Counterfactual explanations - minimal changes that flip a model's prediction - offer a transparent lens into GNNs' behavior. In this work, we introduce XPlore, a novel technique that significantly broadens the counterfactual search space. It consists of gradient-guided perturbations to adjacency and node feature matrices. Unlike most prior methods, which focus solely on edge deletions, our approach belongs to the growing class of techniques that optimize edge insertions and node-feature perturbations, here jointly performed under a unified gradient-based framework, enabling a richer and more nuanced exploration of counterfactuals. To quantify both structural and semantic fidelity, we introduce a cosine similarity metric for learned graph embeddings that addresses a key limitation of traditional distance-based metrics, and demonstrate that XPlore produces more coherent and minimal counterfactuals. Empirical results on 13 real-world and 5 synthetic benchmarks show up to +56.3% improvement in validity and +52.8% in fidelity over state-of-the-art baselines, while retaining competitive runtime.
Authors: Kathleen Anderson, Thomas Martinetz
Abstract: The ability to remove unwanted dependencies from data is crucial in various domains, including fairness, robust learning, and privacy protection. In this work, we propose an encoder-based approach that learns a representation independent of a sensitive variable but otherwise preserving essential data characteristics. Unlike existing methods that rely on decorrelation or adversarial learning, our approach explicitly estimates and modifies the data distribution to neutralize statistical dependencies. To achieve this, we combine a specialized variational autoencoder with a novel loss function driven by non-parametric nearest-neighbor density estimation, enabling direct optimization of independence. We evaluate our approach on multiple datasets, demonstrating that it can outperform existing unsupervised techniques and even rival supervised methods in balancing information removal and utility.
Authors: Haoran Zhang, Seohyeon Cha, Hasan Burhan Beytur, Kevin S Chan, Gustavo de Veciana, Haris Vikalo
Abstract: Hierarchical inference systems route tasks across multiple computational layers, where each node may either finalize a prediction locally or offload the task to a node in the next layer for further processing. Learning optimal routing policies in such systems is challenging: inference loss is defined recursively across layers, while feedback on prediction error is revealed only at a terminal oracle layer. This induces a partial, policy-dependent feedback structure in which observability probabilities decay with depth, causing importance-weighted estimators to suffer from amplified variance. We study online routing for multi-layer hierarchical inference under long-term resource constraints and terminal-only feedback. We formalize the recursive loss structure and show that naive importance-weighted contextual bandit methods become unstable as feedback probability decays along the hierarchy. To address this, we develop a variance-reduced EXP4-based algorithm integrated with Lyapunov optimization, yielding unbiased loss estimation and stable learning under sparse and policy-dependent feedback. We provide regret guarantees relative to the best fixed routing policy in hindsight and establish near-optimality under stochastic arrivals and resource constraints. Experiments on large-scale multi-task workloads demonstrate improved stability and performance compared to standard importance-weighted approaches.
Authors: Takashi Kameyama, Masahiro Kato, Yasuko Hio, Yasushi Takano, Naoto Minakawa
Abstract: Large language models (LLMs) are trained on enormous amounts of data and encode knowledge in their parameters. We propose a pipeline to elicit causal relationships from LLMs. Specifically, (i) we sample many documents from LLMs on a given topic, (ii) we extract an event list from from each document, (iii) we group events that appear across documents into canonical events, (iv) we construct a binary indicator vector for each document over canonical events, and (v) we estimate candidate causal graphs using causal discovery methods. Our approach does not guarantee real-world causality. Rather, it provides a framework for presenting the set of causal hypotheses that LLMs can plausibly assume, as an inspectable set of variables and candidate graphs.
Authors: Yihao Qin, Yuanfei Wang, Hang Zhou, Peiran Liu, Hao Dong, Yiding Ji
Abstract: Decision transformer based sequential policies have emerged as a powerful paradigm in offline reinforcement learning (RL), yet their efficacy remains constrained by the quality of static datasets and inherent architectural limitations. Specifically, these models often struggle to effectively integrate suboptimal experiences and fail to explicitly plan for an optimal policy. To bridge this gap, we propose \textbf{Imaginary Planning Distillation (IPD)}, a novel framework that seamlessly incorporates offline planning into data generation, supervised training, and online inference. Our framework first learns a world model equipped with uncertainty measures and a quasi-optimal value function from the offline data. These components are utilized to identify suboptimal trajectories and augment them with reliable, imagined optimal rollouts generated via Model Predictive Control (MPC). A Transformer-based sequential policy is then trained on this enriched dataset, complemented by a value-guided objective that promotes the distillation of the optimal policy. By replacing the conventional, manually-tuned return-to-go with the learned quasi-optimal value function, IPD improves both decision-making stability and performance during inference. Empirical evaluations on the D4RL benchmark demonstrate that IPD significantly outperforms several state-of-the-art value-based and transformer-based offline RL methods across diverse tasks.
Authors: Yijiang Li, Zeeshan Memon, Hongwei Jin, Stefano Fenu, Keunju Song, Sunash B Sharma, Parfait Gasana, Hongseok Kim, Liang Zhao, Kibaek Kim
Abstract: Foundation models in general promise to accelerate scientific computation by learning reusable representations across problem instances, yet constrained scientific systems, where predictions must satisfy physical laws and safety limits, pose unique challenges that stress conventional training paradigms. We derive design principles for constrained scientific foundation models through systematic investigation of AC optimal power flow (ACOPF), a representative optimization problem in power grid operations where power balance equations and operational constraints are non-negotiable. Through controlled experiments spanning architectures, training objectives, and system diversity, we extract three empirically grounded principles governing scientific foundation model design. These principles characterize three design trade-offs: learning physics-invariant representations while respecting system-specific constraints, optimizing accuracy while ensuring constraint satisfaction, and ensuring reliability in high-impact operating regimes. We present the LUMINA framework, including data processing and training pipelines to support reproducible research on physics-informed, feasibility-aware foundation models across scientific applications.
Authors: Pranav Kumar Kaliaperumal
Abstract: Post-training quantization (PTQ) of transformers is known to suffer from severe accuracy degradation due to structured activation outliers, as originally analyzed by Bondarenko et al. (EMNLP 2021) in work associated with Qualcomm AI Research. This paper provides a reproducible empirical reproduction and systems-level extension of that phenomenon in BERT-base fine-tuned on QNLI. When global W8A8 quantization is applied, validation accuracy drops sharply from 89.66% (FP32) to 54.33%, a decrease of 35.33 points. Statistical analysis of FP32 activations shows strongly heavy-tailed behavior that intensifies with model depth: kurtosis reaches 271 in the final layers and approximately 55% of activation energy is concentrated in the top 1% of channels. We evaluate several mitigation strategies. Mixed precision PTQ restores accuracy close to the FP32 baseline (89.42%). Per-embedding-group (PEG) quantization shows strong sensitivity to grouping structure, improving accuracy from 66.12% with three groups to 86.18% with four groups. In contrast, percentile-based calibration, even at thresholds between 99.0 and 99.99, fails to recover accuracy (about 50.54%), indicating that large activation channels encode structured signal rather than rare noise. Deployment profiling on an RTX 3050 GPU shows minimal differences in latency and memory usage across methods (median latency about 58-59 ms; VRAM usage about 484-486 MB), highlighting the importance of hardware-aware evaluation. Overall, the results show that PTQ failure in transformers is primarily driven by structured channel dominance amplified through residual connections. Effective mitigation therefore requires channel-aware precision allocation rather than scalar clipping alone.
Authors: Pranav Kulkarni, Brajesh K. Lal, Georges Jreij, Sai Vallamchetla, Langford Green, Jenifer Voeks, John Huston, Lloyd Edwards, George Howard, Bradley A. Maron, Thomas G. Brott, James F. Meschia, Florence X. Doo, Heng Huang
Abstract: Accurate characterization of carotid plaques is critical for stroke prevention in patients with carotid stenosis. We analyze 500 plaques from CREST-2, a multi-center clinical trial, to identify radiomics-based markers from B-mode ultrasound images linked with high-risk. We propose a new kernel-based additive model, combining coherence loss with group-sparse regularization for nonlinear classification. Group-wise additive effects of each feature group are visualized using partial dependence plots. Results indicate our method accurately and interpretably assesses plaques, revealing a strong association between plaque texture and clinical risk.
Authors: Kelly L Vomo-Donfack, Adryel Hoszu, Gr\'egory Ginot, Ian Morilla
Abstract: Federated learning (FL) faces two structural tensions: gradient sharing enables data-reconstruction attacks, while non-IID client distributions degrade aggregation quality. We introduce PTOPOFL, a framework that addresses both challenges simultaneously by replacing gradient communication with topological descriptors derived from persistent homology (PH). Clients transmit only 48-dimensional PH feature vectors-compact shape summaries whose many-to-one structure makes inversion provably ill-posed-rather than model gradients. The server performs topology-guided personalised aggregation: clients are clustered by Wasserstein similarity between their PH diagrams, intra-cluster models are topology-weighted,and clusters are blended with a global consensus. We prove an information-contraction theorem showing that PH descriptors leak strictly less mutual information per sample than gradients under strongly convex loss functions, and we establish linear convergence of the Wasserstein-weighted aggregation scheme with an error floor strictly smaller than FedAvg. Evaluated against FedAvg, FedProx, SCAFFOLD, and pFedMe on a non-IID healthcare scenario (8 hospitals, 2 adversarial) and a pathological benchmark (10 clients), PTOPOFL achieves AUC 0.841 and 0.910 respectively-the highest in both settings-while reducing reconstruction risk by a factor of 4.5 relative to gradient sharing. Code is publicly available at https://github.com/MorillaLab/TopoFederatedL and data at https://doi.org/10.5281/zenodo.18827595.
URLs: https://github.com/MorillaLab/TopoFederatedL, https://doi.org/10.5281/zenodo.18827595.
Authors: Khem Raj Bhatt, Krishna Sharma
Abstract: We study the deployment performance of machine learning based enforcement systems used in cryptocurrency anti money laundering (AML). Using forward looking and rolling evaluations on Bitcoin transaction data, we show that strong static classification metrics substantially overstate real world regulatory effectiveness. Temporal nonstationarity induces pronounced instability in cost sensitive enforcement thresholds, generating large and persistent excess regulatory losses relative to dynamically optimal benchmarks. The core failure arises from miscalibration of decision rules rather than from declining predictive accuracy per se. These findings underscore the fragility of fixed AML enforcement policies in evolving digital asset markets and motivate loss-based evaluation frameworks for regulatory oversight.
Authors: Bhavya Agrawalla, Michal Nauman, Aviral Kumar
Abstract: Recent work shows that flow matching can be effective for scalar Q-value function estimation in reinforcement learning (RL), but it remains unclear why or how this approach differs from standard critics. Contrary to conventional belief, we show that their success is not explained by distributional RL, as explicitly modeling return distributions can reduce performance. Instead, we argue that the use of integration for reading out values and dense velocity supervision at each step of this integration process for training improves TD learning via two mechanisms. First, it enables robust value prediction through \emph{test-time recovery}, whereby iterative computation through integration dampens errors in early value estimates as more integration steps are performed. This recovery mechanism is absent in monolithic critics. Second, supervising the velocity field at multiple interpolant values induces more \emph{plastic} feature learning within the network, allowing critics to represent non-stationary TD targets without discarding previously learned features or overfitting to individual TD targets encountered during training. We formalize these effects and validate them empirically, showing that flow-matching critics substantially outperform monolithic critics (2$\times$ in final performance and around 5$\times$ in sample efficiency) in settings where loss of plasticity poses a challenge e.g., in high-UTD online RL problems, while remaining stable during learning.
Authors: Mahindra Rautela, Alexander Most, Siddharth Mansingh, Aleksandra Pachalieva, Bradley Love, Daniel O Malley, Alexander Scheinker, Kyle Hickmann, Diane Oyen, Nathan Debardeleben, Earl Lawrence, Ayan Biswas
Abstract: Most PDE foundation models are pretrained and fine-tuned on fluid-centric benchmarks. Their utility under extreme-loading material dynamics remains unclear. We benchmark out-of-distribution transfer on two discontinuity-dominated regimes in which shocks, evolving interfaces, and fracture produce highly non-smooth fields: shock-driven multi-material interface dynamics (perturbed layered interface or PLI) and dynamic fracture/failure evolution (FRAC). We formulate the downstream task as terminal-state prediction, i.e., learning a long-horizon map that predicts the final state directly from the first snapshot without intermediate supervision. Using a unified training and evaluation protocol, we evaluate two open-source pretrained PDE foundation models, POSEIDON and MORPH, and compare fine-tuning from pretrained weights against training from scratch across training-set sizes to quantify sample efficiency under distribution shift.
Authors: Geraldin Nanfack, Eugene Belilovsky, Elvis Dohmatob
Abstract: Safety-aligned language models refuse harmful requests through learned refusal behaviors encoded in their internal representations. Recent activation-based jailbreaking methods circumvent these safety mechanisms by applying orthogonal projections to remove refusal directions, but these approaches treat refusal as a one-dimensional phenomenon and ignore the rich distributional structure of model activations. We introduce a principled framework based on optimal transport theory that transforms the entire distribution of harmful activations to match harmless ones. By combining PCA with closed-form Gaussian optimal transport, we achieve efficient computation in high-dimensional representation spaces while preserving essential geometric structure. Across six models (Llama-2, Llama-3.1, Qwen-2.5; 7B-32B parameters), our method achieves up to 11% higher attack success rates than state-of-the-art baselines while maintaining comparable perplexity, demonstrating superior preservation of model capabilities. Critically, we discover that layer-selective intervention (applying optimal transport to 1-2 carefully chosen layers at approximately 40-60% network depth) substantially outperforms full-network interventions, revealing that refusal mechanisms may be localized rather than distributed. Our analysis provides new insights into the geometric structure of safety representations and suggests that current alignment methods may be vulnerable to distributional attacks beyond simple direction removal.
Authors: Marco Federici, Boris van Breugel, Paul Whatmough, Markus Nagel
Abstract: Quantization can drastically increase the efficiency of large language and vision models, but typically incurs an accuracy drop. Recently, function-preserving transforms (e.g. rotations, Hadamard transform, channel-wise scaling) have been successfully applied to reduce post-training quantization error, yet a principled explanation remains elusive. We analyze linear-layer quantization via the signal-to-quantization-noise ratio (SQNR), showing that for uniform integer quantization at a fixed bit width, SQNR decomposes into (i) the concentration of weights and activations (capturing spread and outliers), and (ii) the alignment of their dominant variation directions. This reveals an actionable insight: beyond concentration - the focus of most prior transforms (e.g. rotations or Hadamard) - improving alignment between weight and activation can further reduce quantization error. Motivated by this, we introduce block Concentration-Alignment Transforms (CAT), a lightweight linear transformation that uses a covariance estimate from a small calibration set to jointly improve concentration and alignment, approximately maximizing SQNR. Experiments across several LLMs show that CAT consistently matches or outperforms prior transform-based quantization methods at 4-bit precision, confirming the insights gained in our framework.
Authors: Kenan Majewski, Micha{\l} Modzelewski, Marcin \.Zugaj, Piotr Lichota
Abstract: The Unscented Kalman Filter (UKF) is a ubiquitous tool for nonlinear state estimation; however, its performance is limited by the static parameterization of the Unscented Transform (UT). Conventional weighting schemes, governed by fixed scaling parameters, assume implicit Gaussianity and fail to adapt to time-varying dynamics or heavy-tailed measurement noise. This work introduces the Meta-Adaptive UKF (MA-UKF), a framework that reformulates sigma-point weight synthesis as a hyperparameter optimization problem addressed via memory-augmented meta-learning. Unlike standard adaptive filters that rely on instantaneous heuristic corrections, our approach employs a Recurrent Context Encoder to compress the history of measurement innovations into a compact latent embedding. This embedding informs a policy network that dynamically synthesizes the mean and covariance weights of the sigma points at each time step, effectively governing the filter's trust in the prediction versus the measurement. By optimizing the system end-to-end through the filter's recursive logic, the MA-UKF learns to maximize tracking accuracy while maintaining estimation consistency. Numerical benchmarks on maneuvering targets demonstrate that the MA-UKF significantly outperforms standard baselines, exhibiting superior robustness to non-Gaussian glint noise and effective generalization to out-of-distribution (OOD) dynamic regimes unseen during training.
Authors: Haoyu Liu, Dingcheng Li, Lukas Rutishauser, Zeyu Zheng
Abstract: Multimodal web agents that process both screenshots and accessibility trees are increasingly deployed to interact with web interfaces, yet their dual-stream architecture opens an underexplored attack surface: an adversary who injects content into the webpage DOM simultaneously corrupts both observation channels with a consistent deceptive narrative. Our vulnerability analysis on MiniWob++ reveals that attacks including a visual component far outperform text-only injections, exposing critical gaps in text-centric VLM safety training. Motivated by this finding, we propose Dual-Modality Multi-Stage Adversarial Safety Training (DMAST), a framework that formalizes the agent-attacker interaction as a two-player zero-sum Markov game and co-trains both players through a three-stage pipeline: (1) imitation learning from a strong teacher model, (2) oracle-guided supervised fine-tuning that uses a novel zero-acknowledgment strategy to instill task-focused reasoning under adversarial noise, and (3) adversarial reinforcement learning via Group Relative Policy Optimization (GRPO) self-play. On out-of-distribution tasks, DMAST substantially mitigates adversarial risks while simultaneously doubling task completion efficiency. Our approach significantly outperforms established training-based and prompt-based defenses, demonstrating genuine co-evolutionary progress and robust generalization to complex, unseen environments.
Authors: Furkan Mumcu, Yasin Yilmaz
Abstract: As Large Language Models (LLMs) transition into autonomous multi-agent ecosystems, robust minimax training becomes essential yet remains prone to instability when highly non-linear policies induce extreme local curvature in the inner maximization. Standard remedies that enforce global Jacobian bounds are overly conservative, suppressing sensitivity in all directions and inducing a large Price of Robustness. We introduce Adversarially-Aligned Jacobian Regularization (AAJR), a trajectory-aligned approach that controls sensitivity strictly along adversarial ascent directions. We prove that AAJR yields a strictly larger admissible policy class than global constraints under mild conditions, implying a weakly smaller approximation gap and reduced nominal performance degradation. Furthermore, we derive step-size conditions under which AAJR controls effective smoothness along optimization trajectories and ensures inner-loop stability. These results provide a structural theory for agentic robustness that decouples minimax stability from global expressivity restrictions.
Authors: Hang Fan, Juan Nathaniel, Yi Xiao, Ce Bian, Fenghua Ling, Ben Fei, Lei Bai, Pierre Gentine
Abstract: Data assimilation (DA) combines model forecasts and observations to estimate the optimal state of the atmosphere with its uncertainty, providing initial conditions for weather prediction and reanalyses for climate research. Yet, existing traditional and machine-learning DA methods struggle to achieve accuracy, efficiency and uncertainty quantification simultaneously. Here, we propose HLOBA (Hybrid-Ensemble Latent Observation-Background Assimilation), a three-dimensional hybrid-ensemble DA method that operates in an atmospheric latent space learned via an autoencoder (AE). HLOBA maps both model forecasts and observations into a shared latent space via the AE encoder and an end-to-end Observation-to-Latent-space mapping network (O2Lnet), respectively, and fuses them through a Bayesian update with weights inferred from time-lagged ensemble forecasts. Both idealized and real-observation experiments demonstrate that HLOBA matches dynamically constrained four-dimensional DA methods in both analysis and forecast skill, while achieving end-to-end inference-level efficiency and theoretical flexibility applies to any forecasting model. Moreover, by exploiting the error decorrelation property of latent variables, HLOBA enables element-wise uncertainty estimates for its latent analysis and propagates them to model space via the decoder. Idealized experiments show that this uncertainty highlights large-error regions and captures their seasonal variability.
Authors: Wenhui Zhu, Xiwen Chen, Zhipeng Wang, Jingjing Wang, Xuanzhao Dong, Minzhou Huang, Rui Cai, Hejian Sang, Hao Wang, Peijie Qiu, Yueyue Deng, Prayag Tiwari, Brendan Hogan Rappazzo, Yalin Wang
Abstract: Long-horizon LLM agents require memory systems that remain accurate under fixed context budgets. However, existing systems struggle with two persistent challenges in long-term dialogue: (i) \textbf{disconnected evidence}, where multi-hop answers require linking facts distributed across time, and (ii) \textbf{state updates}, where evolving information (e.g., schedule changes) creates conflicts with older static logs. We propose AriadneMem, a structured memory system that addresses these failure modes via a decoupled two-phase pipeline. In the \textbf{offline construction phase}, AriadneMem employs \emph{entropy-aware gating} to filter noise and low-information message before LLM extraction and applies \emph{conflict-aware coarsening} to merge static duplicates while preserving state transitions as temporal edges. In the \textbf{online reasoning phase}, rather than relying on expensive iterative planning, AriadneMem executes \emph{algorithmic bridge discovery} to reconstruct missing logical paths between retrieved facts, followed by \emph{single-call topology-aware synthesis}. On LoCoMo experiments with GPT-4o, AriadneMem improves \textbf{Multi-Hop F1 by 15.2\%} and \textbf{Average F1 by 9.0\%} over strong baselines. Crucially, by offloading reasoning to the graph layer, AriadneMem reduces \textbf{total runtime by 77.8\%} using only \textbf{497} context tokens. The code is available at https://github.com/LLM-VLM-GSL/AriadneMem.
Authors: Sanyam Singh, Naga Ganesh, Vineet Singh, Lakshmi Pedapudi, Ritesh Kumar, SSP Jyothi, Archana Karanam, C. Yashoda, Mettu Vijaya Rekha Reddy, Shesha Phani Debbesa, Chandan Dash
Abstract: Large Language Models show promise for agricultural advisory, yet vanilla models exhibit unsupported recommendations, generic advice lacking specific, actionable detail, and communication styles misaligned with smallholder farmer needs. In high stakes agricultural contexts, where recommendation accuracy has direct consequences for farmer outcomes, these limitations pose challenges for responsible deployment. We present a hybrid LLM architecture that decouples factual retrieval from conversational delivery: supervised fine-tuning with LoRA on expert-curated GOLDEN FACTS (atomic, verified units of agricultural knowledge) optimizes fact recall, while a separate stitching layer transforms retrieved facts into culturally appropriate, safety-aware responses. Our evaluation framework, DG-EVAL, performs atomic fact verification (measuring recall, precision, and contradiction detection) against expert-curated ground truth rather than Wikipedia or retrieved documents. Experiments across multiple model configurations on crops and queries from Bihar, India show that fine-tuning on curated data substantially improves fact recall and F1, while maintaining high relevance. Using a fine-tuned smaller model achieves comparable or better factual quality at a fraction of the cost of frontier models. A stitching layer further improves safety subscores while maintaining high conversational quality. We release the farmerchat-prompts library to enable reproducible development of domain-specific agricultural AI.
Authors: Haoyang He, Zihua Rong, Liangjie Zhao, Yunjia Zhao, Lan Yang, Honggang Zhang
Abstract: Test-time Training enables model adaptation using only test questions and offers a promising paradigm for improving the reasoning ability of large language models (LLMs). However, it faces two major challenges: test questions are often highly difficult, making self-generated pseudo-labels unreliable, and existing methods lack effective mechanisms to adapt to a model's specific reasoning weaknesses, leading to inefficient learning. To address these issues, we propose \textbf{TTSR}, a self-reflective test-time self-evolving training framework. TTSR employs a single pretrained language model that alternates between the roles of a \textit{Student} and a \textit{Teacher} at test time. The Student focuses on solving problems and learning from synthesized variant questions, while the Teacher analyzes the Student's failed reasoning trajectories, summarizes recurring reasoning weaknesses, and synthesizes targeted variant questions accordingly. This process guides the model to improve within a learnable regime through a continual self-evolving loop. Experimental results on multiple challenging mathematical reasoning benchmarks show that TTSR consistently improves reasoning performance and generalizes well across different model backbones and general-domain reasoning tasks. These findings suggest that teacher-mediated self-reflection provides an effective pathway for stable and continual reasoning improvement at test time.
Authors: Dvir David Biton, Roy Friedman
Abstract: The rapid adoption of large language models (LLMs) has created demand for faster responses and lower costs. Semantic caching, reusing semantically similar requests via their embeddings, addresses this need but breaks classic cache assumptions and raises new challenges. In this paper, we explore offline policies for semantic caching, proving that implementing an optimal offline policy is NP-hard, and propose several polynomial-time heuristics. We also present online semantic aware cache policies that combine recency, frequency, and locality. Evaluations on diverse datasets show that while frequency based policies are strong baselines, our novel variant improves semantic accuracy. Our findings reveal effective strategies for current systems and highlight substantial headroom for future innovation. All code is open source.
Authors: Avinash Reddy, Thayne T. Walker, James S. Ide, Amrit Singh Bedi
Abstract: Large language models (LLMs) are increasingly used to generate executable outputs, JSON objects, and API calls, where a single syntax error can make the output unusable. Constrained decoding enforces validity token-by-token via masking and renormalization, but it can distort generation when the model assigns low probability mass to valid continuations, pushing decoding toward locally valid yet semantically incorrect trajectories. We propose \emph{Draft-Conditioned Constrained Decoding (DCCD)}, a simple two-step, training-free inference procedure that decouples semantic planning from structural enforcement: an unconstrained draft is generated first, and constrained decoding is then applied, conditioned on this draft, to guarantee validity. We analyze DCCD through a KL-projection view, showing that draft conditioning increases feasible mass and reduces the cumulative "projection tax" induced by hard constraints, with an optional best-of-$K$ draft selection. Across structured reasoning benchmarks, DCCD improves strict structured accuracy by up to +24 percentage points over standard constrained decoding (e.g., 15.2\% to 39.0\% on GSM8K with a 1B model), and enables smaller model pairs to match or exceed much larger constrained baselines, yielding substantial gains in parameter efficiency.
Authors: Andrew Kiruluta
Abstract: Modern large language model (LLM) inference engines optimize throughput and latency under fixed decoding rules, treating generation as a linear progression in token time. We propose a fundamentally different paradigm: entropic\-time inference, where decoding is governed by the flow of uncertainty rather than token index. We introduce a self\-organizing inference architecture that jointly couples scheduling, attention sparsification, and sampling temperature under a unified entropy control objective. Our method extends vLLM with entropy-aware scheduling, entropic pruning of paged attention blocks, and adaptive temperature control that stabilizes generation near a target entropy regime. This transforms inference into a resource\-intelligent thermodynamic process that allocates computation where uncertainty reduction is maximized. We present a concrete systems design, pseudocode, and integration plan, demonstrating how entropy can serve as a first\-class control signal for scalable LLM inference.
Authors: Xin Yang, Letian Li, Abudukelimu Wuerkaixi, Xuxin Cheng, Cao Liu, Ke Zeng, Xunliang Cai, Wenyuan Jiang
Abstract: Large language models (LLMs) have demonstrated remarkable and steadily improving performance across a wide range of tasks. However, LLM performance may be highly sensitive to prompt variations especially in scenarios with limited openness or strict output formatting requirements, indicating insufficient robustness. In real-world applications, user prompts provided to LLMs often contain imperfections, which may undermine the quality of the model's responses. To address this issue, previous work has primarily focused on preprocessing prompts, employing external tools or even LLMs to refine prompt formulations in advance. However, these approaches overlook the intrinsic robustness of LLMs, and their reliance on external components introduces additional computational overhead and uncertainty. In this work, we propose a Contrastive Learning-based Inverse Direct Preference Optimization (CoIPO) method that minimizes the discrepancy between the label-aligned logits produced by the model under a clean prompt and its noisy counterpart, and conduct a detailed analysis using mutual information theory. We augment the FLAN dataset by constructing paired prompts, each consisting of a clean prompt and its corresponding noisy version for training. Additionally, to evaluate the effectiveness, we develop NoisyPromptBench, a benchmark enhanced and derived from the existing PromptBench. Experimental results conducted on NoisyPromptBench demonstrate that our proposed method achieves a significant improvement in average accuracy over the current state-of-the-art approaches. The source code of CoIPO, pair-wise FLAN datasets, and NoisyPromptBench have already been released on https://github.com/vegetable-yx/CoIPO.
Authors: Stefano De Giorgis, Ting-Chih Chen, Filip Ilievski
Abstract: Internet memes are a powerful form of online communication, yet their nature and reliance on commonsense knowledge make toxicity detection challenging. Identifying key features for meme interpretation and understanding, is a crucial task. Previous work has been focused on some elements contributing to the meaning, such as the Textual dimension via OCR, the Visual dimension via object recognition, upper layers of meaning like the Emotional dimension, Toxicity detection via proxy variables, such as hate speech detection, and sentiment analysis. Nevertheless, there is still a lack of an overall architecture able to formally identify elements contributing to the meaning of a meme, and be used in the sense-making process. In this work, we present a semantic framework and a corresponding benchmark for automatic knowledge extraction from memes. First, we identify the necessary dimensions to understand and interpret a meme: Textual material, Visual material, Scene, Background Knowledge, Emotion, Semiotic Projection, Analogical Mapping, Overall Intent, Target Community, and Toxicity Assessment. Second, the framework guides a semi-automatic process of generating a benchmark with commonsense question-answer pairs about meme toxicity assessment and its underlying reason. The resulting benchmark M-QUEST consists of 609 question-answer pairs for 307 memes. Thirdly, we evaluate eight open-source large language models on their ability to correctly solve M-QUEST. Our results show that current models' commonsense reasoning capabilities for toxic meme interpretation vary depending on the dimension and architecture. Models with instruction tuning and reasoning capabilities significantly outperform the others, though pragmatic inference questions remain challenging. We release code, benchmark, and prompts to support future research intersecting multimodal content safety and commonsense reasoning.
Authors: Guanming Liu, Meng Wu, Peng Zhang, Yu Zhang, Yubo Shu, Xianliang Huang, Kainan Tu, Ning Gu, Liuxin Zhang, Qianying Wang, Tun Lu
Abstract: Large language models (LLMs) have become integral to modern Human-AI collaboration workflows, where accurately understanding user intent serves as a crucial step for generating satisfactory responses. Context-aware intent understanding, which involves inferring user intentions from situational environments, is inherently challenging because it requires reasoning over both the immediate context and the user's underlying motivations that drive their behavior. Moreover, existing approaches often treat intent understanding as a static recognition task, overlooking users' accumulated intent patterns that could provide valuable references for more accurate and generalizable understanding. To address this gap, we propose IntPro, a proxy agent that learns to adapt to individual users via retrieval-conditioned intent inference. We design intent explanations that abstract how contextual signals connect to expressed intents, and store them in an individual intent history library for retrieval. We train IntPro through supervised fine-tuning on retrieval-conditioned trajectories and multi-turn Group Relative Policy Optimization (GRPO) with tool-aware reward functions, enabling the agent to learn when to leverage historical intent patterns and when to infer directly. Experiments across three diverse scenarios (Highlight-Intent, MIntRec2.0, and Weibo Post-Sync) demonstrate that IntPro achieves strong intent understanding performance with effective context-aware reasoning capabilities across different scenarios and model types.
Authors: Ashwath Vaithinathan Aravindan, Mayank Kejriwal
Abstract: Chain-of-Thought (CoT) prompting has emerged as a foundational technique for eliciting reasoning from Large Language Models (LLMs), yet the robustness of this approach to corruptions in intermediate reasoning steps remains poorly understood. This paper presents a comprehensive empirical evaluation of LLM robustness to a structured taxonomy of 5 CoT perturbation types: \textit{MathError, UnitConversion, Sycophancy, SkippedSteps,} and \textit{ExtraSteps}. We evaluate 13 models spanning three orders of magnitude in parameter count (3B to 1.5T\footnote{Assumed parameter count of closed models}), testing their ability to complete mathematical reasoning tasks despite perturbations injected at different points in the reasoning chain. Our key findings reveal heterogeneous vulnerability patterns: MathError perturbations produce the most severe degradation in small models (50-60\% accuracy loss) but show strong scaling benefits; UnitConversion remains challenging across all scales (20-30\% loss even for largest models); ExtraSteps incur minimal accuracy degradation (0-6\%) regardless of scale; Sycophancy produces modest effects (7\% loss for small models); and SkippedSteps cause intermediate damage (15\% loss). Scaling relationships follow power-law patterns, with model size serving as a protective factor against some perturbations but offering limited defense against dimensional reasoning tasks. These findings have direct implications for deploying LLMs in multi-stage reasoning pipelines and underscore the necessity of task-specific robustness assessments and mitigation strategies. The code and results are available \href{https://github.com/Mystic-Slice/CoTPerturbation}{here}.
Authors: Angel Rodrigo Avelar Menendez, Yufeng Liu, Xiaowu Dai
Abstract: Rankings derived from pairwise comparisons are central to many economic and computational systems. In the context of large language models (LLMs), rankings are typically constructed from human preference data and presented as leaderboards that guide deployment decisions. However, existing approaches rely on point estimates, implicitly treating rankings as fixed objects despite substantial estimation noise and context-dependent performance variation. Acting on such rankings can lead to misallocation and welfare loss when apparent differences are not statistically meaningful. We study prompt-dependent ranking inference under pairwise human preferences and develop a framework for decision-safe rankings with statistically valid uncertainty guarantees. We model preferences using a contextual Bradley-Terry-Luce model in which the latent utility of each model depends on the input prompt. Rather than targeting point estimates of utilities, we directly conduct inference on induced rankings, constructing confidence sets based on simultaneous confidence intervals for pairwise utility differences. This approach yields statistically valid marginal and simultaneous confidence sets for prompt-specific ranks. Our framework connects recent advances in rank inference to contextual preference learning and provides tools for robust ranking-based decision-making. Empirically, using large-scale human preference data from LLM evaluations, we show that rankings vary substantially across prompt characteristics and that many apparent rank differences are not statistically distinguishable. We further demonstrate how uncertainty-aware rankings identify dominance only when supported by the data and otherwise return partial orders.
Authors: Yanchen Wang, Joy Hsu, Ehsan Adeli, Jiajun Wu
Abstract: We propose NEURONA, a neuro-symbolic framework for fMRI decoding and concept grounding in neural activity. Leveraging image- and video-based fMRI question-answering datasets, NEURONA learns to decode interacting concepts from visual stimuli based on patterns of fMRI responses, integrating symbolic reasoning and compositional execution with fMRI grounding across brain regions. We demonstrate that incorporating structural priors (e.g., compositional predicate-argument dependencies between concepts) into the decoding process significantly improves both decoding accuracy over precise queries, and notably, generalization to unseen queries at test time. With NEURONA, we highlight neuro-symbolic frameworks as promising tools for understanding neural activity.
Authors: Yixing Wu, Shiou-Ya Wang, Dingyi Nie, Sanket Kumbhar, Yun-Tung Hsieh, Yun-Cheng Wang, Po-Chyi Su, C. -C. Jay Kuo
Abstract: Earthquake detection and seismic phase picking are fundamental yet challenging tasks in seismology due to low signal-to-noise ratios, waveform variability, and overlapping events. Recent deep-learning models achieve strong results but rely on large datasets and heavy backpropagation training, raising concerns over efficiency, interpretability, and sustainability. We propose GreenPhase, a multi-resolution, feed-forward, and mathematically interpretable model based on the Green Learning framework. GreenPhase comprises three resolution levels, each integrating unsupervised representation learning, supervised feature learning, and decision learning. Its feed-forward design eliminates backpropagation, enabling independent module optimization with stable training and clear interpretability. Predictions are refined from coarse to fine resolutions while computation is restricted to candidate regions. On the Stanford Earthquake Dataset (STEAD), GreenPhase achieves excellent performance with F1 scores of 1.0 for detection, 0.98 for P-wave picking, and 0.96 for S-wave picking. This is accomplished while reducing the computational cost (FLOPs) for inference by approximately 83% compared to state-of-the-art models. These results demonstrate that the proposed model provides an efficient, interpretable, and sustainable alternative for large-scale seismic monitoring.
Authors: Alisher Myrgyyassov, Bruce Xiao Wang, Yu Sun, Shuming Huang, Zhen Song, Min Ney Wong, Yongping Zheng
Abstract: Manual measurement of muscle morphology from ultrasound during speech is time-consuming and limits large-scale studies. We present SMMA, a fully automated framework that combines deep-learning segmentation with skeleton-based thickness quantification to analyze geniohyoid (GH) muscle dynamics. Validation demonstrates near-human-level accuracy (Dice = 0.9037, MAE = 0.53 mm, r = 0.901). Application to Cantonese vowel production (N = 11) reveals systematic patterns: /a:/ shows significantly greater GH thickness (7.29 mm) than /i:/ (5.95 mm, p < 0.001, Cohen's d > 1.3), suggesting greater GH activation during production of /a:/ than /i:/, consistent with its role in mandibular depression. Sex differences (5-8% greater in males) reflect anatomical scaling. SMMA achieves expert-validated accuracy while eliminating the need for manual annotation, enabling scalable investigations of speech motor control and objective assessment of speech and swallowing disorders.
Authors: David Wegmann
Abstract: In 2018, McInnes et al. introduced a dimensionality reduction algorithm called UMAP, which enjoys wide popularity among data scientists. Their work introduces a finite variant of a functor called the metric realization, based on an unpublished draft by Spivak. This draft contains many errors, most of which are reproduced by McInnes et al. and subsequent publications. This article aims to repair these errors and provide a self-contained document with the full derivation of Spivak's functors and McInnes et al.'s finite variant. We contribute an explicit description of the metric realization and related functors. At the end, we discuss the UMAP algorithm, as well as claims about properties of the algorithm and the correspondence of McInnes et al.'s finite variant to the UMAP algorithm.
Authors: Mingjie Zhao, Sen Feng, Yiqun Zhang, Mengke Li, Yang Lu, Yiu-ming Cheung
Abstract: Clustering is a fundamental approach to understanding data patterns, wherein the intuitive Euclidean distance space is commonly adopted. However, this is not the case for implicit cluster distributions reflected by qualitative attribute values, e.g., the nominal values of attributes like symptoms, marital status, etc. This paper, therefore, discovered a tree-like distance structure to flexibly represent the local order relationship among intra-attribute qualitative values. That is, treating a value as the vertex of the tree allows to capture rich order relationships among the vertex value and the others. To obtain the trees in a clustering-friendly form, a joint learning mechanism is proposed to iteratively obtain more appropriate tree structures and clusters. It turns out that the latent distance space of the whole dataset can be well-represented by a forest consisting of the learned trees. Extensive experiments demonstrate that the joint learning adapts the forest to the clustering task to yield accurate results. Comparisons of 10 counterparts on 12 real benchmark datasets with significance tests verify the superiority of the proposed method.
Authors: Xiaotong Liu, Yunwen Lei, Xiangyu Chang, Shao-Bo Lin
Abstract: This paper proposes a novel parameter selection strategy for kernel-based gradient descent (KGD) algorithms, integrating bias-variance analysis with the splitting method. We introduce the concept of empirical effective dimension to quantify iteration increments in KGD, deriving an adaptive parameter selection strategy that is implementable. Theoretical verifications are provided within the framework of learning theory. Utilizing the recently developed integral operator approach, we rigorously demonstrate that KGD, equipped with the proposed adaptive parameter selection strategy, achieves the optimal generalization error bound and adapts effectively to different kernels, target functions, and error metrics. Consequently, this strategy showcases significant advantages over existing parameter selection methods for KGD.
Authors: Shion Matsumoto, Raul Castillo, Benjamin Prada, Ankur Arjun Mali
Abstract: The forward and reverse Kullback-Leibler (KL) divergences arise as limiting objectives in learning and inference yet induce markedly different inductive biases that cannot be explained at the level of expectations alone. In this work, we introduce the Surprisal-R\'enyi Free Energy (SRFE), a log-moment-based functional of the likelihood ratio that lies outside the class of $f$-divergences. We show that SRFE recovers forward and reverse KL divergences as singular endpoint limits and derive local expansions around both limits in which the variance of the log-likelihood ratio appears as a first-order correction. This reveals an explicit mean-variance tradeoff governing departures from KL-dominated regimes. We further establish a Gibbs-type variational characterization of SRFE as the unique minimizer of a weighted sum of KL divergences and prove that SRFE directly controls large deviations of excess code-length via Chernoff-type bounds, yielding a precise Minimum Description Length interpretation. Together, these results identify SRFE as a variance- and tail-sensitive free-energy functional that clarifies the geometric and large-deviation structure underlying forward and reverse KL limits, without unifying or subsuming distinct learning frameworks.
Authors: Mingxuan Zhang, Khushi Desai, Sopho Kevlishvili, Elham Azizi
Abstract: Observational causal discovery is only identifiable up to the Markov equivalence class. While interventions can reduce this ambiguity, in practice interventions are often soft with multiple unknown targets. In many realistic scenarios, only a single intervention regime is observed. We propose a scalable causal discovery model for paired observational and interventional settings with shared underlying causal structure and unknown soft interventions. The model aggregates subset-level PDAGs and applies contrastive cross-regime orientation rules to construct a globally consistent maximal PDAG under Meek closure, enabling generalization to both in-distribution and out-of-distribution settings. Theoretically, we prove that our model is sound with respect to a restricted $\Psi$ equivalence class induced solely by the information available in the subset-restricted setting. We further show that the model asymptotically recovers the corresponding identifiable PDAG and can orient additional edges compared to non-contrastive subset-restricted methods. Experiments on synthetic data demonstrate improved causal structure recovery, generalization to unseen graphs with held-out causal mechanisms, and scalability to larger graphs, with ablations supporting the theoretical results.
Authors: Samuel Garcin, Thomas Walker, Steven McDonagh, Tim Pearce, Hakan Bilen, Tianyu He, Kaixin Wang, Jiang Bian
Abstract: Interactive world models continually generate video by responding to a user's actions, enabling open-ended generation capabilities. However, existing models typically lack a 3D representation of the environment, meaning 3D consistency must be implicitly learned from data, and spatial memory is restricted to limited temporal context windows. This results in an unrealistic user experience and presents significant obstacles to down-stream tasks such as training agents. To address this, we present PERSIST, a new paradigm of world model which simulates the evolution of a latent 3D scene: environment, camera, and renderer. This allows us to synthesize new frames with persistent spatial memory and consistent geometry. Both quantitative metrics and a qualitative user study show substantial improvements in spatial memory, 3D consistency, and long-horizon stability over existing methods, enabling coherent, evolving 3D worlds. We further demonstrate novel capabilities, including synthesising diverse 3D environments from a single image, as well as enabling fine-grained, geometry-aware control over generated experiences by supporting environment editing and specification directly in 3D space. Project page: https://francelico.github.io/persist.github.io
Authors: Ihor Kendiukhov
Abstract: Benchmark rankings are routinely used to justify scientific claims about method quality in gene regulatory network (GRN) inference, yet the stability of these rankings under plausible evaluation protocol choices is rarely examined. We present a systematic diagnostic framework for measuring ranking instability under protocol shift, including decomposition tools that separate base rate effects from discrimination effects. Using existing single cell GRN benchmark outputs across three human tissues and six inference methods, we quantify pairwise reversal rates across four protocol axes: candidate set restriction (16.3 percent, 95 percent CI 11.0 to 23.4 percent), tissue context (19.3 percent), reference network choice (32.1 percent), and symbol mapping policy (0.0 percent). A permutation null confirms that observed reversal rates are far below random order expectations (0.163 versus null mean 0.500), indicating partially stable but non invariant ranking structure. Our decomposition reveals that reversals are driven by changes in the relative discrimination ability of methods rather than by base rate inflation, a finding that challenges a common implicit assumption in GRN benchmarking. We propose concrete reporting practices for stability aware evaluation and provide a diagnostic toolkit for identifying method pairs at risk of reversal.
Authors: Mabel Heffring, Lincoln Linlin Xu
Abstract: Although high-resolution mapping of pan-Arctic sea ice with reliable corresponding uncertainty is essential for operational sea ice concentration (SIC) charting, it is a difficult task due to key challenges, such as the subtle nature of ice signature features, inexact SIC labels, model uncertainty, and data heterogeneity. This study presents a novel Bayesian High-Resolution Transformer approach for 200 meter resolution pan-Arctic SIC mapping and uncertainty quantification using Sentinel-1, RADARSAT Constellation Mission (RCM), and Advanced Microwave Scanning Radiometer 2 (AMSR2) data. First, to improve small and subtle sea ice feature (e.g., cracks/leads, ponds, and ice floes) extraction, we design a novel high-resolution Transformer model with both global and local modules that can better discern the subtle differences in sea ice patterns. Second, to address low-resolution and inexact SIC labels, we design a geographically-weighted weakly supervised loss function to supervise the model at region level instead of pixel level, and to prioritize pure open water and ice pack signatures while mitigating the impact of ambiguity in the marginal ice zone (MIZ). Third, to improve uncertainty quantification, we design a Bayesian extension of the proposed Transformer model, treating its parameters as random variables to more effectively capture uncertainties. Fourth, to address data heterogeneity, we fuse three different data types (Sentinel-1, RCM, and AMSR2) at decision-level to improve both SIC mapping and uncertainty quantification. The proposed approach is evaluated under pan-Arctic minimum-extent conditions in 2021 and 2025. Results demonstrate that the proposed model achieves 0.70 overall feature detection accuracy using Sentinel-1 data, while also preserving pan-Arctic SIC patterns (Sentinel-1 R\textsuperscript{2} = 0.90 relative to the ARTIST Sea Ice product).
Authors: Radu-Andrei Cioaca, Cristian Rusu, Paul Irofti, Gianluca Caparra, Andrei-Alexandru Marinache, Florin Stoican
Abstract: Accurate positioning, navigation, and timing (PNT) is fundamental to the operation of modern technologies and a key enabler of autonomous systems. A very important component of PNT is the Global Navigation Satellite System (GNSS) which ensures outdoor positioning. Modern research directions have pushed the performance of GNSS localization to new heights by fusing GNSS measurements with other sensory information, mainly measurements from Inertial Measurement Units (IMU). In this paper, we propose a loosely coupled architecture to integrate GNSS and IMU measurements using a Factor Graph Optimization (FGO) framework. Because the FGO method can be computationally challenging and often used as a post-processing method, our focus is on assessing its localization accuracy and service availability while operating in real-time in challenging environments (urban canyons). Experimental results on the UrbanNav-HK-MediumUrban-1 dataset show that the proposed approach achieves real-time operation and increased service availability compared to batch FGO methods. While this improvement comes at the cost of reduced positioning accuracy, the paper provides a detailed analysis of the trade-offs between accuracy, availability, and computational efficiency that characterize real-time FGO-based GNSS/IMU fusion.
Authors: Radu-Andrei Cioaca, Paul Irofti, Cristian Rusu, Gianluca Caparra, Andrei-Alexandru Marinache, Florin Stoican
Abstract: Reliable positioning in dense urban environments remains challenging due to frequent GNSS signal blockage, multipath, and rapidly varying satellite geometry. While factor graph optimization (FGO)-based GNSS-IMU fusion has demonstrated strong robustness and accuracy, most formulations remain offline. In this work, we present a real-time tightly coupled GNSS-IMU FGO method that enables causal state estimation via incremental optimization with fixed-lag marginalization, and we evaluate its performance in a highly urbanized GNSS-degraded environment using the UrbanNav dataset.
Authors: Alejandro Breen Herrera, Aayush Sheth, Steven G. Xu, Zhucheng Zhan, Charles Wright, Marcus Yearwood, Hongtai Wei, Sudeep Das
Abstract: Conversational shopping assistants (CSAs) represent a compelling application of agentic AI, but moving from prototype to production reveals two underexplored challenges: how to evaluate multi-turn interactions and how to optimize tightly coupled multi-agent systems. Grocery shopping further amplifies these difficulties, as user requests are often underspecified, highly preference-sensitive, and constrained by factors such as budget and inventory. In this paper, we present a practical blueprint for evaluating and optimizing conversational shopping assistants, illustrated through a production-scale AI grocery assistant. We introduce a multi-faceted evaluation rubric that decomposes end-to-end shopping quality into structured dimensions and develop a calibrated LLM-as-judge pipeline aligned with human annotations. Building on this evaluation foundation, we investigate two complementary prompt-optimization strategies based on a SOTA prompt-optimizer called GEPA (Shao et al., 2025): (1) Sub-agent GEPA, which optimizes individual agent nodes against localized rubrics, and (2) MAMuT (Multi-Agent Multi-Turn) GEPA (Herrera et al., 2026), a novel system-level approach that jointly optimizes prompts across agents using multi-turn simulation and trajectory-level scoring. We release rubric templates and evaluation design guidance to support practitioners building production CSAs.
Authors: Chunyuan Deng, Sanket Lokegaonkar, Colin Lockard, Besnik Fetahu, Nasser Zalmout, Xian Li
Abstract: Modern language models still rely on fixed, pre-defined subword tokenizations. Once a tokenizer is trained, the LM can only operate at this fixed level of granularity, which often leads to brittle and counterintuitive behaviors even in otherwise strong reasoning models. We introduce \textbf{ByteFlow Net}, a new hierarchical architecture that removes tokenizers entirely and instead enables models to learn their own segmentation of raw byte streams into semantically meaningful units. ByteFlow Net performs compression-driven segmentation based on the coding rate of latent representations, yielding adaptive boundaries \emph{while preserving a static computation graph via Top-$K$ selection}. Unlike prior self-tokenizing methods that depend on brittle heuristics with human-designed inductive biases, ByteFlow Net adapts its internal representation granularity to the input itself. Experiments demonstrate that this compression-based chunking strategy yields substantial performance gains, with ByteFlow Net outperforming both BPE-based Transformers and previous byte-level architectures. These results suggest that end-to-end, tokenizer-free modeling is not only feasible but also more effective, opening a path toward more adaptive and information-grounded language models.
Authors: Qi Zhang, Harsh Parikh, Ashley Naimi, Razieh Nabi, Christopher Kim, Timothy Lash
Abstract: Method validation and study design in causal inference rely on synthetic data with known counterfactuals. Existing simulators trade off distributional realism, the ability to capture mixed-type and multimodal tabular data, against causal controllability, including explicit control over overlap, unmeasured confounding, and treatment effect heterogeneity. We introduce CausalMix, a variational generative framework that closes this gap by coupling a mixture of Gaussian latent priors with data-type-specific decoders for continuous, binary, and categorical variables. The model incorporates explicit causal controls: an overlap regularizer shaping propensity-score distributions, alongside direct parameterizations of confounding strength and effect heterogeneity. This unified objective preserves fidelity to the observed data while enabling factorial manipulation of causal mechanisms, allowing overlap, confounding strength, and treatment effect heterogeneity to be varied independently at design time. Across benchmarks, CausalMix achieves state-of-the-art distributional metrics on mixed-type tables while providing stable, fine-grained causal control. We demonstrate practical utility in a comparative safety study of metastatic castration-resistant prostate cancer treatments, using CausalMix to compare estimators under calibrated data-generating processes, tune hyperparameters, and conduct simulation-based power analyses under targeted treatment effect heterogeneity scenarios.
Authors: Arnab Phani, Elias Strauss, Sebastian Schelter
Abstract: Recent advances in large language models (LLMs) transform how machine learning (ML) pipelines are developed and evaluated. LLMs enable a new type of workload, agentic pipeline search, in which autonomous or semi-autonomous agents generate, validate, and optimize complete ML pipelines. These agents predominantly operate over popular Python ML libraries and exhibit highly exploratory behavior. This results in thousands of executions for data profiling, pipeline generation, and iterative refinement of pipeline stages. However, the existing Python-based ML ecosystem is built around libraries such as Pandas and scikit-learn, which are designed for human-centric, interactive, sequential workflows and remain constrained by Python's interpretive execution model, library-level isolation, and limited runtime support for executing large numbers of pipelines. Meanwhile, many high-performance ML systems proposed by the systems community either target narrow workload classes or require specialized programming models, which limits their integration with the Python ML ecosystem and makes them largely ill-suited for LLM-based agents. This growing mismatch exposes a fundamental systems challenge in supporting agentic pipeline search at scale. We therefore propose stratum, a unified system infrastructure that decouples pipeline execution from planning and reasoning during agentic pipeline search. Stratum integrates seamlessly with existing Python libraries, compiles batches of pipelines into optimized execution graphs, and efficiently executes them across heterogeneous backends, including a novel Rust-based runtime. We present stratum's architectural vision along with an early prototype, discuss key design decisions, and outline open challenges and research directions. Finally, preliminary experiments show that stratum can significantly speed up large-scale agentic pipeline search up to 16.6x.
Authors: Hadi Mohaghegh Dolatabadi, Thalaiyasingam Ajanthan, Sameera Ramasinghe, Chamin P Hewa Koneputugodage, Gil Avraham, Yan Zuo, Violetta Shevchenko, Alexander Long
Abstract: Decentralized training introduces critical security risks when executed across untrusted, geographically distributed nodes. While existing Byzantine-tolerant literature addresses data parallel (DP) training through robust aggregation methods, pipeline parallelism (PP) presents fundamentally distinct challenges. In PP, model layers are distributed across workers where the activations and their gradients flow between stages rather than being aggregated, making traditional DP approaches inapplicable. We propose SENTINEL, a verification mechanism for PP training without computation duplication. SENTINEL employs lightweight momentum-based monitoring using exponential moving averages (EMAs) to detect corrupted inter-stage communication. Unlike existing Byzantine-tolerant approaches for DP that aggregate parameter gradients across replicas, our approach verifies sequential activation/gradient transmission between layers. We provide theoretical convergence guarantees for this new setting that recovers classical convergence rates when relaxed to standard training. Experiments demonstrate successful training of up to 4B-parameter LLMs across untrusted distributed environments with up to 176 workers while maintaining model convergence and performance.
Authors: Marcel Torne, Karl Pertsch, Homer Walke, Kyle Vedder, Suraj Nair, Brian Ichter, Allen Z. Ren, Haohuan Wang, Jiaming Tang, Kyle Stachowicz, Karan Dhabalia, Michael Equi, Quan Vuong, Jost Tobias Springenberg, Sergey Levine, Chelsea Finn, Danny Driess
Abstract: Conventionally, memory in end-to-end robotic learning involves inputting a sequence of past observations into the learned policy. However, in complex multi-stage real-world tasks, the robot's memory must represent past events at multiple levels of granularity: from long-term memory that captures abstracted semantic concepts (e.g., a robot cooking dinner should remember which stages of the recipe are already done) to short-term memory that captures recent events and compensates for occlusions (e.g., a robot remembering the object it wants to pick up once its arm occludes it). In this work, our main insight is that an effective memory architecture for long-horizon robotic control should combine multiple modalities to capture these different levels of abstraction. We introduce Multi-Scale Embodied Memory (MEM), an approach for mixed-modal long-horizon memory in robot policies. MEM combines video-based short-horizon memory, compressed via a video encoder, with text-based long-horizon memory. Together, they enable robot policies to perform tasks that span up to fifteen minutes, like cleaning up a kitchen, or preparing a grilled cheese sandwich. Additionally, we find that memory enables MEM policies to intelligently adapt manipulation strategies in-context.
Authors: Zhiyuan Zhan, Masashi Sugiyama
Abstract: Low-dimensional structure in real-world data plays an important role in the success of generative models, which motivates diffusion models defined on intrinsic data manifolds. Such models are driven by stochastic differential equations (SDEs) on manifolds, which raises the need for convergence theory of numerical schemes for manifold-valued SDEs. In Euclidean space, the Euler--Maruyama (EM) scheme achieves strong convergence with order $1/2$, but an analogous result for manifold discretizations is less understood in general settings. In this work, we study a geometric version of the EM scheme for SDEs on Riemannian manifolds and prove strong convergence with order $1/2$ under geometric and regularity conditions. As an application, we obtain a Wasserstein bound for sampling on manifolds via the geometric EM discretization of Riemannian Langevin dynamics.
Authors: Xiangyu Liu, Haoyi You, Kaiqing Zhang
Abstract: Learning-to-communicate (LTC) in partially observable environments has received increasing attention in deep multi-agent reinforcement learning, where the control and communication strategies are jointly learned. Meanwhile, the impact of communication on decision-making has been extensively studied in control theory. In this paper, we seek to formalize and better understand LTC by bridging these two lines of work, through the lens of information structures (ISs). To this end, we formalize LTC in decentralized partially observable Markov decision processes (Dec-POMDPs) under the common-information-based framework from decentralized stochastic control, and classify LTC problems based on the ISs before (additional) information sharing. We first show that non-classical LTCs are computationally intractable in general, and thus focus on quasi-classical (QC) LTCs. We then propose a series of conditions for QC LTCs, under which LTCs preserve the QC IS after information sharing, whereas violating which can cause computational hardness in general. Further, we develop provable planning and learning algorithms for QC LTCs, and establish quasi-polynomial time and sample complexities for several QC LTC examples that satisfy the above conditions. Along the way, we also establish results on the relationship between (strictly) QC IS and the condition of having strategy-independent common-information-based beliefs (SI-CIBs), as well as on solving Dec-POMDPs without computationally intractable oracles but beyond those with SI-CIBs, which may be of independent interest.
Authors: Binh M. Le, Simon S. Woo
Abstract: The proliferation of facial recognition (FR) systems has raised privacy concerns in the digital realm, as malicious uses of FR models pose a significant threat. Traditional countermeasures, such as makeup style transfer, have suffered from low transferability in black-box settings and limited applicability across various demographic groups, including males and individuals with darker skin tones. To address these challenges, we introduce a novel facial privacy protection method, dubbed \textbf{MAP}, a pioneering approach that employs human emotion modifications to disguise original identities as target identities in facial images. Our method uniquely fine-tunes a score network to learn dual objectives, target identity and human expression, which are jointly optimized through gradient projection to ensure convergence at a shared local optimum. Additionally, we enhance the perceptual quality of protected images by applying local smoothness regularization and optimizing the score matching loss within our network. Empirical experiments demonstrate that our innovative approach surpasses previous baselines, including noise-based, makeup-based, and freeform attribute methods, in both qualitative fidelity and quantitative metrics. Furthermore, MAP proves its effectiveness against an online FR API and shows advanced adaptability in uncommon photographic scenarios.
Authors: Jue Huang, Tarek Mahmud, Corina Pasareanu, Guowei Yang
Abstract: Leveraging Large Language Models (LLMs) for code generation has increasingly emerged as a common practice in the domain of software engineering. Relevant benchmarks have been established to evaluate the code generation capabilities of LLMs. However, existing benchmarks focus primarily on sequential code, lacking the ability to effectively evaluate LLMs on concurrent code generation. Compared to sequential code, concurrent code exhibits greater complexity and possesses unique types of bugs, such as deadlocks and race conditions, that do not occur in sequential code. Therefore, a benchmark for evaluating sequential code generation cannot be useful for evaluating concurrent code generation with LLMs. To address this gap, we designed a benchmark CONCUR specifically aimed at evaluating the capability of LLMs to generate concurrent code. CONCUR consists of a base set of 43 concurrency problems derived from a standard concurrency textbook, together with 72 validated mutant variants, resulting in 115 total problems. The base problems serve as the semantic core of the benchmark, while the mutants expand linguistic and structural diversity. We conducted an evaluation of a range of LLMs on CONCUR, highlighting limitations of current models. Overall, our work provides a novel direction for evaluating the capability of LLMs to generate code with focus on concurrency.
Authors: Saptarshi Chakraborty, Quentin Berthet, Peter L. Bartlett
Abstract: Despite the remarkable empirical success of score-based diffusion models, their statistical guarantees remain underdeveloped. Existing analyses often provide pessimistic convergence rates that do not reflect the intrinsic low-dimensional structure common in real data, such as that arising in natural images. In this work, we study the statistical convergence of score-based diffusion models for learning an unknown distribution $\mu$ from finitely many samples. Under mild regularity conditions on the forward diffusion process and the data distribution, we derive finite-sample error bounds on the learned generative distribution, measured in the Wasserstein-$p$ distance. Unlike prior results, our guarantees hold for all $p \ge 1$ and require only a finite-moment assumption on $\mu$, without compact-support, manifold, or smooth-density conditions. Specifically, given $n$ i.i.d.\ samples from $\mu$ with finite $q$-th moment and appropriately chosen network architectures, hyperparameters, and discretization schemes, we show that the expected Wasserstein-$p$ error between the learned distribution $\hat{\mu}$ and $\mu$ scales as $\mathbb{E}\, \mathbb{W}_p(\hat{\mu},\mu) = \widetilde{O}\!\left(n^{-1 / d^\ast_{p,q}(\mu)}\right),$ where $d^\ast_{p,q}(\mu)$ is the $(p,q)$-Wasserstein dimension of $\mu$. Our results demonstrate that diffusion models naturally adapt to the intrinsic geometry of data and mitigate the curse of dimensionality, since the convergence rate depends on $d^\ast_{p,q}(\mu)$ rather than the ambient dimension. Moreover, our theory conceptually bridges the analysis of diffusion models with that of GANs and the sharp minimax rates established in optimal transport. The proposed $(p,q)$-Wasserstein dimension also extends classical Wasserstein dimension notions to distributions with unbounded support, which may be of independent theoretical interest.
Authors: Emile Anand, Ishani Karmarkar
Abstract: Many large-scale platforms and networked control systems have a centralized decision maker interacting with a massive population of agents under strict observability constraints. Motivated by such applications, we study a cooperative Markov game with a global agent and $n$ homogeneous local agents in a communication-constrained regime, where the global agent only observes a subset of $k$ local agent states per time step. We propose an alternating learning framework $(\texttt{ALTERNATING-MARL})$, where the global agent performs subsampled mean-field $Q$-learning against a fixed local policy, and local agents update by optimizing in an induced MDP. We prove that these approximate best-response dynamics converge to an $\widetilde{O}(1/\sqrt{k})$-approximate Nash Equilibrium, while yielding a separation in the sample complexities between the joint state space and action space. Finally, we validate our results in numerical simulations for multi-robot control and federated optimization.
Authors: Youngmin Kim, Jaeyun Shin, Jeongchan Kim, Taehoon Lee, Jaemin Kim, Peter Hsu, Jelle Veraart, Jong Chul Ye
Abstract: Ultra Low Field (64 mT) brain MRI improves accessibility but suffers from reduced image quality compared to 3 T. As paired 64 mT - 3 T scans are scarce, we propose an unpaired 64 mT $\rightarrow$ 3 T translation framework that enhances realism while preserving anatomy. Our method builds upon the Unpaired Neural Schr\"odinge Bridge (UNSB) with multi-step refinement. To strengthen target distribution alignment, we augment the adversarial objective with DMD2-style diffusion-guided distribution matching using a frozen 3T diffusion teacher. To explicitly constrain global structure beyond patch-level correspondence, we combine PatchNCE with an Anatomical Structure Preservation (ASP) regularizer that enforces soft foreground background consistency and boundary aware constraints. Evaluated on two disjoint cohorts, the proposed framework achieves an improved realism structure trade-off, enhancing distribution level realism on unpaired benchmarks while increasing structural fidelity on the paired cohort compared to unpaired baselines.
Authors: Pengfei Tong, Siyuan Chen, Chenwei Zhang, Bo Wang, Qi Pi, Pixun Li, Zuotao Liu
Abstract: Most large-scale recommender systems follow a multi-stage cascade of retrieval, pre-ranking, ranking, and re-ranking. A key challenge at the pre-ranking stage arises from the heterogeneity of training instances sampled from coarse-grained retrieval results, fine-grained ranking signals, and exposure feedback. Our analysis reveals that prevailing pre-ranking methods, which indiscriminately mix heterogeneous samples, suffer from gradient conflicts: hard samples dominate training while easy ones remain underutilized, leading to suboptimal performance. We further show that the common practice of uniformly scaling model complexity across all samples is inefficient, as it overspends computation on easy cases and slows training without proportional gains. To address these limitations, this paper presents Heterogeneity-Aware Adaptive Pre-ranking (HAP), a unified framework that mitigates gradient conflicts through conflict-sensitive sampling coupled with tailored loss design, while adaptively allocating computational budgets across candidates. Specifically, HAP disentangles easy and hard samples, directing each subset along dedicated optimization paths. Building on this separation, it first applies lightweight models to all candidates for efficient coverage, and further engages stronger models on the hard ones, maintaining accuracy while reducing cost. This approach not only improves pre-ranking effectiveness but also provides a practical perspective on scaling strategies in industrial recommender systems. HAP has been deployed in the Toutiao production system for 9 months, yielding up to 0.4% improvement in user app usage duration and 0.05% in active days, without additional computational cost. We also release a large-scale industrial hybrid-sample dataset to enable the systematic study of source-driven candidate heterogeneity in pre-ranking.
Authors: Erdun Gao, Liang Zhang, Jake Fawkes, Aoqi Zuo, Wenqin Liu, Haoxuan Li, Mingming Gong, Dino Sejdinovic
Abstract: Randomized Controlled Trials (RCTs) represent the gold standard for causal inference yet remain a scarce resource. While large-scale observational data is often available, it is utilized only for retrospective fusion, and remains discarded in prospective trial design due to bias concerns. We argue this "tabula rasa" data acquisition strategy is fundamentally inefficient. In this work, we propose Active Residual Learning, a new paradigm that leverages the observational model as a foundational prior. This approach shifts the experimental focus from learning target causal quantities from scratch to efficiently estimating the residuals required to correct observational bias. To operationalize this, we introduce the R-Design framework. Theoretically, we establish two key advantages: (1) a structural efficiency gap, proving that estimating smooth residual contrasts admits strictly faster convergence rates than reconstructing full outcomes; and (2) information efficiency, where we quantify the redundancy in standard parameter-based acquisition (e.g., BALD), demonstrating that such baselines waste budget on task-irrelevant nuisance uncertainty. We propose R-EPIG (Residual Expected Predictive Information Gain), a unified criterion that directly targets the causal estimand, minimizing residual uncertainty for estimation or clarifying decision boundaries for policy. Experiments on synthetic and semi-synthetic benchmarks demonstrate that R-Design significantly outperforms baselines, confirming that repairing a biased model is far more efficient than learning one from scratch.
Authors: Haowei Zhu, Tingxuan Huang, Xing Wang, Tianyu Zhao, Jiexi Wang, Weifeng Chen, Xurui Peng, Fangmin Chen, Junhai Yong, Bin Wang
Abstract: Diffusion models achieve strong generative performance but remain slow at inference due to the need for repeated full-model denoising passes. We present Token-Adaptive Predictor (TAP), a training-free, probe-driven framework that adaptively selects a predictor for each token at every sampling step. TAP uses a single full evaluation of the model's first layer as a low-cost probe to compute proxy losses for a compact family of candidate predictors (instantiated primarily with Taylor expansions of varying order and horizon), then assigns each token the predictor with the smallest proxy error. This per-token "probe-then-select" strategy exploits heterogeneous temporal dynamics, requires no additional training, and is compatible with various predictor designs. TAP incurs negligible overhead while enabling large speedups with little or no perceptual quality loss. Extensive experiments across multiple diffusion architectures and generation tasks show that TAP substantially improves the accuracy-efficiency frontier compared to fixed global predictors and caching-only baselines.
Authors: Xingyao Wang, Valerie Chen, Heng Ji, Graham Neubig
Abstract: Academic benchmarks for coding agents tend to reward autonomous task completion, measured by verifiable rewards such as unit-test success. In contrast, real-world coding agents operate with humans in the loop, where success signals are typically noisy, delayed, and sparse. How can we bridge this gap? In this paper, we propose a process to learn a "critic" model from sparse and noisy interaction data, which can then be used both as a reward model for either RL-based training or inference-time scaling. Specifically, we introduce Critic Rubrics, a rubric-based supervision framework with 24 behavioral features that can be derived from human-agent interaction traces alone. Using a semi-supervised objective, we can then jointly predict these rubrics and sparse human feedback (when present). In experiments, we demonstrate that, despite being trained primarily from trace-observable rubrics and sparse real-world outcome proxies, these critics improve best-of-N reranking on SWE-bench (Best@8 +15.9 over Random@8 over the rerankable subset of trajectories), enable early stopping (+17.7 with 83% fewer attempts), and support training-time data curation via critic-selected trajectories.
Authors: Khadijeh Askaripour, Adrian Bekasiewicz, Slawomir Koziel
Abstract: Design of antenna structures for Internet of Things (IoT) applications is a challenging problem. Contemporary radiators are often subject to a number of electric and/or radiation-related requirements, but also constraints imposed by specifics of IoT systems and/or intended operational environments. Conventional approaches to antenna design typically involve manual development of topology intertwined with its tuning. Although proved useful, the approach is prone to errors and engineering bias. Alternatively, geometries can be generated and optimized without supervision of the designer. The process can be controlled by suitable algorithms to determine and then adjust the antenna geometry according to the specifications. Unfortunately, automatic design of IoT radiators is associated with challenges such as determination of desirable geometries or high optimization cost. In this work, a variable-fidelity framework for performance-oriented development of free-form antennas represented using the generic simulation models is proposed. The method employs a surrogate-assisted classifier capable of identifying a suitable radiator topology from a set of automatically generated (and stored for potential re-use) candidate designs. The obtained geometry is then subject to a bi-stage tuning performed using a gradient-based optimization engine. The presented framework is demonstrated based on six numerical experiments concerning unsupervised development of bandwidth-enhanced patch antennas dedicated to work within 5 GHz to 6 GHz and 6 GHz to 7 GHz bands, respectively. Extensive benchmarks of the method, as well as the generated topologies are also performed.
Authors: Khadijeh Askaripour, Adrian Bekasiewicz, Slawomir Koziel
Abstract: Development of modern antennas is a cognitive process that intertwines experience-driven determination of topology and tuning of its parameters to fulfill the performance specifications. Alternatively, the task can be formulated as an optimization problem so as to reduce reliance of geometry selection on engineering insight. In this work, a bi-stage framework for automatic generation of antennas is considered. The method determines free-form topology through optimization of interconnections between components (so-called pixels) that constitute the radiator. Here, the process involves global optimization of connections between pixels followed by fine-tuning of the resulting topology using a surrogate-assisted local-search algorithm to fulfill the design re-quirements. The approach has been demonstrated based on two case studies concerning development of broadband and dual-band monopole antennas.
Authors: Maheep Chaudhary
Abstract: Humans often become more self-aware under threat, yet can lose self-awareness when absorbed in a task; we hypothesize that language models exhibit environment-dependent \textit{evaluation awareness}. This raises concerns that models could strategically underperform, or \textit{sandbag}, to avoid triggering capability-limiting interventions such as unlearning or shutdown. Prior work demonstrates sandbagging under hand-crafted prompts, but this underestimates the true vulnerability ceiling. We introduce a black-box adversarial optimization framework treating the in-context prompt as an optimizable environment, and develop two approaches to characterize sandbagging: (1) measuring whether models expressing intent to underperform can actually execute it across different task structures, and (2) causally isolating whether underperformance is driven by genuine evaluation-aware reasoning or shallow prompt-following. Evaluating Claude-3.5-Haiku, GPT-4o-mini, and Llama-3.3-70B across four benchmarks (Arithmetic, GSM8K, MMLU, and HumanEval), optimized prompts induce up to 94 percentage point (pp) degradation on arithmetic (GPT-4o-mini: 97.8\%$\rightarrow$4.0\%), far exceeding hand-crafted baselines which produce near-zero behavioral change. Code generation exhibits model-dependent resistance: Claude degrades only 0.6pp, while Llama's accuracy drops to 0\%. The intent -- execution gap reveals a monotonic resistance ordering: Arithmetic $<$ GSM8K $<$ MMLU, demonstrating that vulnerability is governed by task structure rather than prompt strength. CoT causal intervention confirms that 99.3\% of sandbagging is causally driven by verbalized eval-aware reasoning, ruling out shallow instruction-following. These findings demonstrate that adversarially optimized prompts pose a substantially greater threat to evaluation reliability than previously understood.
Authors: Nathan Dermul, Hans Dierckx
Abstract: Cardiac arrhythmogenesis is governed by complex electromechanical interactions that are not directly observable in vivo, motivating the development of non-invasive computational approaches for reconstructing three-dimensional activation dynamics. We present a physics-informed neural network framework for recovering cardiac activation patterns, active tension propagation, deformation fields, and hydrostatic pressure from measurable deformation data in simplified left ventricular geometries. Our approach integrates nonlinear anisotropic constitutive modeling, heterogeneous fiber orientation, weak formulations of the governing mechanics, and finite-element-based loss functions to embed physical constraints directly into training. We demonstrate that the proposed framework accurately reconstructs spatiotemporal activation dynamics under varying levels of measurement noise and reduced spatial resolution, while preserving global propagation patterns and activation timing. By coupling mechanistic modeling with data-driven inference, this method establishes a pathway toward patient-specific, non-invasive reconstruction of cardiac activation, with potential applications in digital phenotyping and computational support for arrhythmia assessment.
Authors: Margherita Lazzaretto, Jonas Peters, Niklas Pfister
Abstract: We consider stochastic non-stationary linear bandits where the linear parameter connecting contexts to the reward changes over time. Existing algorithms in this setting localize the policy by gradually discarding or down-weighting past data, effectively shrinking the time horizon over which learning can occur. However, in many settings historical data may still carry partial information about the reward model. We propose to leverage such data while adapting to changes, by assuming the reward model decomposes into stationary and non-stationary components. Based on this assumption, we introduce ISD-linUCB, an algorithm that uses past data to learn invariances in the reward model and subsequently exploits them to improve online performance. We show both theoretically and empirically that leveraging invariance reduces the problem dimensionality, yielding significant regret improvements in fast-changing environments when sufficient historical data is available.
Authors: Markus Knauer, Samuel Bustamante, Thomas Eiband, Alin Albu-Sch\"affer, Freek Stulp, Jo\~ao Silv\'erio
Abstract: Foundation models have demonstrated impressive capabilities across diverse domains, while imitation learning provides principled methods for robot skill adaptation from limited data. Combining these approaches holds significant promise for direct application to robotics, yet this combination has received limited attention, particularly for industrial deployment. We present a novel framework that enables open-vocabulary skill adaptation through a tool-based architecture, maintaining a protective abstraction layer between the language model and robot hardware. Our approach leverages pre-trained LLMs to select and parameterize specific tools for adapting robot skills without requiring fine-tuning or direct model-to-robot interaction. We demonstrate the framework on a 7-DoF torque-controlled robot performing an industrial bearing ring insertion task, showing successful skill adaptation through natural language commands for speed adjustment, trajectory correction, and obstacle avoidance while maintaining safety, transparency, and interpretability.
Authors: Yang Li, Youyang Sha, Yinzhi Wang, Timothy Hospedales, Xi Shen, Shell Xu Hu, Xuanlong Yu
Abstract: Building reliable classifiers is a fundamental challenge for deploying machine learning in real-world applications. A reliable system should not only detect out-of-distribution (OOD) inputs but also anticipate in-distribution (ID) errors by assigning low confidence to potentially misclassified samples. Yet, most prior work treats OOD detection and failure prediction as separated problems, overlooking their closed connection. We argue that reliability requires evaluating them jointly. To this end, we propose a unified evaluation framework that integrates OOD detection and failure prediction, quantified by our new metrics DS-F1 and DS-AURC, where DS denotes double scoring functions. Experiments on the OpenOOD benchmark show that double scoring functions yield classifiers that are substantially more reliable than traditional single scoring approaches. Our analysis further reveals that OOD-based approaches provide notable gains under simple or far-OOD shifts, but only marginal benefits under more challenging near-OOD conditions. Beyond evaluation, we extend the reliable classifier SURE and introduce SURE+, a new approach that significantly improves reliability across diverse scenarios. Together, our framework, metrics, and method establish a new benchmark for trustworthy classification and offer practical guidance for deploying robust models in real-world settings. The source code is publicly available at https://github.com/Intellindust-AI-Lab/SUREPlus.
Authors: Nicolas Helson, Pegah Alizadeh, Anastasios Giovanidis
Abstract: Offline Reinforcement Learning (RL) is a promising approach for next-generation wireless networks, where online exploration is unsafe and large amounts of operational data can be reused across the model lifecycle. However, the behavior of offline RL algorithms under genuinely stochastic dynamics -- inherent to wireless systems due to fading, noise, and traffic mobility -- remains insufficiently understood. We address this gap by evaluating Bellman-based (Conservative Q-Learning), sequence-based (Decision Transformers), and hybrid (Critic-Guided Decision Transformers) offline RL methods in an open-access stochastic telecom environment (mobile-env). Our results show that Conservative Q-Learning consistently produces more robust policies across different sources of stochasticity, making it a reliable default choice in lifecycle-driven AI management frameworks. Sequence-based methods remain competitive and can outperform Bellman-based approaches when sufficient high-return trajectories are available. These findings provide practical guidance for offline RL algorithm selection in AI-driven network control pipelines, such as O-RAN and future 6G functions, where robustness and data availability are key operational constraints.
Authors: Mathilde Perez, Rapha\"el Romero, Jefrey Lijffijt, Charlotte Laclau
Abstract: Link prediction models are increasingly used to recommend interactions in evolving networks, yet their impact on network structure is typically assessed from static snapshots. In particular, observed homophily conflates intrinsic interaction tendencies with amplification effects induced by network dynamics and algorithmic feedback. We propose a temporal framework based on multivariate Hawkes processes that disentangles these two sources and introduce an instantaneous bias measure derived from interaction intensities, capturing current reinforcement dynamics beyond cumulative metrics. We provide a theoretical characterization of the stability and convergence of the induced dynamics, and experiments show that the proposed measure reliably reflects algorithmic feedback effects across different link prediction strategies.
Authors: Md Akib Haider, Ahsan Bulbul, Nafis Fuad Shahid, Aimaan Ahmed, Mohammad Ishrak Abedin
Abstract: Code comment classification is a critical task for automated software documentation and analysis. In the context of the NLBSE'26 Tool Competition, we present \textbf{LoRA-MME}, a Multi-Model Ensemble architecture utilizing Parameter-Efficient Fine-Tuning (PEFT). Our approach addresses the multi-label classification challenge across Java, Python, and Pharo by combining the strengths of four distinct transformer encoders: UniXcoder, CodeBERT, GraphCodeBERT, and CodeBERTa. By independently fine-tuning these models using Low-Rank Adaptation(LoRA) and aggregating their predictions via a learned weighted ensemble strategy, we maximize classification performance without the memory overhead of full model fine-tuning. Our tool achieved an \textbf{F1 Weighted score of 0.7906} and a \textbf{Macro F1 of 0.6867} on the test set. However, the computational cost of the ensemble resulted in a final submission score of 41.20\%, highlighting the trade-off between semantic accuracy and inference efficiency.
Authors: Michael J\"ulich
Abstract: Generative AI can convert uncertainty into authoritative-seeming verdicts, displacing the justificatory work on which democratic epistemic agency depends. As a corrective, I propose a Brouwer-inspired assertibility constraint for responsible AI: in high-stakes domains, systems may assert or deny claims only if they can provide a publicly inspectable and contestable certificate of entitlement; otherwise they must return "Undetermined". This constraint yields a three-status interface semantics (Asserted, Denied, Undetermined) that cleanly separates internal entitlement from public standing while connecting them via the certificate as a boundary object. It also produces a time-indexed entitlement profile that is stable under numerical refinement yet revisable as the public record changes. I operationalize the constraint through decision-layer gating of threshold and argmax outputs, using internal witnesses (e.g., sound bounds or separation margins) and an output contract with reason-coded abstentions. A design lemma shows that any total, certificate-sound binary interface already decides the deployed predicate on its declared scope, so "Undetermined" is not a tunable reject option but a mandatory status whenever no forcing witness is available. By making outputs answerable to challengeable warrants rather than confidence alone, the paper aims to preserve epistemic agency where automated speech enters public justification.
Authors: Yuhan Wang, Suzhi Bi, Ying-Jun Angela Zhang
Abstract: The rate-distortion-perception (RDP) tradeoff characterizes the fundamental limits of lossy compression by jointly considering bitrate, reconstruction fidelity, and perceptual quality. While recent neural compression methods have improved perceptual performance, they typically operate at fixed points on the RDP surface, requiring retraining to target different tradeoffs. In this work, we propose a training-free framework that leverages pre-trained diffusion models to traverse the entire RDP surface. Our approach integrates a reverse channel coding (RCC) module with a novel score-scaled probability flow ODE decoder. We theoretically prove that the proposed diffusion decoder is optimal for the distortion-perception tradeoff under AWGN observations and that the overall framework with the RCC module achieves the optimal RDP function in the Gaussian case. Empirical results across multiple datasets demonstrate the framework's flexibility and effectiveness in navigating the ternary RDP tradeoff using pre-trained diffusion models. Our results establish a practical and theoretically grounded approach to adaptive, perception-aware compression.
Authors: Antonin Sulc
Abstract: We propose Fluid Logic, a paradigm in which modal logical reasoning, temporal, epistemic, doxastic, deontic, is lifted from discrete Kripke structures to continuous manifolds via Neural Stochastic Differential Equations (Neural SDEs). Each type of modal operator is backed by a dedicated Neural SDE, and nested formulas compose these SDEs in a single differentiable graph. A key instantiation is Logic-Informed Neural Networks (LINNs): analogous to Physics-Informed Neural Networks (PINNs), LINNs embed modal logical formulas such as ($\Box$ bounded) and ($\Diamond$ visits\_lobe) directly into the training loss, guiding neural networks to produce solutions that are structurally consistent with prescribed logical properties, without requiring knowledge of the governing equations. The resulting framework, Continuous Modal Logical Neural Networks (CMLNNs), yields several key properties: (i) stochastic diffusion prevents quantifier collapse ($\Box$ and $\Diamond$ differ), unlike deterministic ODEs; (ii) modal operators are entropic risk measures, sound with respect to risk-based semantics with explicit Monte Carlo concentration guarantees; (iii)SDE-induced accessibility provides structural correspondence with classical modal axioms; (iv) parameterizing accessibility through dynamics reduces memory from quadratic in world count to linear in parameters. Three case studies demonstrate that Fluid Logic and LINNs can guide neural networks to produce consistent solutions across diverse domains: epistemic/doxastic logic (multi-robot hallucination detection), temporal logic (recovering the Lorenz attractor geometry from logical constraints alone), and deontic logic (learning safe confinement dynamics from a logical specification).
Authors: Tobias Morocutti, Emmanouil Karystinaios, Jonathan Greif, Gerhard Widmer
Abstract: Music Source Restoration (MSR) targets recovery of original, unprocessed instrument stems from fully mixed and mastered audio, where production effects and distribution artifacts violate common linear-mixture assumptions. This technical report presents the CP-JKU team's system for the MSR ICASSP Challenge 2025. Our approach decomposes MSR into separation and restoration. First, a single BandSplit-RoFormer separator predicts eight stems plus an auxiliary other stem, and is trained with a three-stage curriculum that progresses from 4-stem warm-start fine-tuning (with LoRA) to 8-stem extension via head expansion. Second, we apply a HiFi++ GAN waveform restorer trained as a generalist and then specialized into eight instrument-specific experts.
Authors: Geon Park, Ji-Hoon Park, Seong-Whan Lee
Abstract: Composed image retrieval (CIR) addresses the task of retrieving a target image by jointly interpreting a reference image and a modification text that specifies the intended change. Most existing methods are still built upon contrastive learning frameworks that treat the ground truth image as the only positive instance and all remaining images as negatives. This strategy inevitably introduces relevance suppression, where semantically related yet valid images are incorrectly pushed away, and semantic confusion, where different modification intents collapse into overlapping regions of the embedding space. As a result, the learned query representations often lack discriminativeness, particularly at fine-grained attribute modifications. To overcome these limitations, we propose distinctive query embeddings through learnable attribute weights and target relative negative sampling (DQE-CIR), a method designed to learn distinctive query embeddings by explicitly modeling target relative relevance during training. DQE-CIR incorporates learnable attribute weighting to emphasize distinctive visual features conditioned on the modification text, enabling more precise feature alignment between language and vision. Furthermore, we introduce target relative negative sampling, which constructs a target relative similarity distribution and selects informative negatives from a mid-zone region that excludes both easy negatives and ambiguous false negatives. This strategy enables more reliable retrieval for fine-grained attribute changes by improving query discriminativeness and reducing confusion caused by semantically similar but irrelevant candidates.
Authors: Nana Liu, Mark M. Wilde
Abstract: Quantum measurements are the means by which we recover messages encoded into quantum states. They are at the forefront of quantum hypothesis testing, wherein the goal is to perform an optimal measurement for arriving at a correct conclusion. Mathematically, a measurement operator is Hermitian with eigenvalues in [0,1]. By noticing that this constraint on each eigenvalue is the same as that imposed on fermions by the Pauli exclusion principle, we interpret every eigenmode of a measurement operator as an independent effective fermionic mode. Under this perspective, various objective functions in quantum hypothesis testing can be viewed as the total expected energy associated with these fermionic occupation numbers. By instead fixing a temperature and minimizing the total expected fermionic free energy, we find that optimal measurements for these modified objective functions are Fermi-Dirac thermal measurements, wherein their eigenvalues are specified by Fermi-Dirac distributions. In the low-temperature limit, their performance closely approximates that of optimal measurements for quantum hypothesis testing, and we show that their parameters can be learned by classical or hybrid quantum-classical optimization algorithms. This leads to a new quantum machine-learning model, termed Fermi-Dirac machines, consisting of parameterized Fermi-Dirac thermal measurements-an alternative to quantum Boltzmann machines based on thermal states. Beyond hypothesis testing, we show how general semidefinite optimization problems can be solved using this approach, leading to a novel paradigm for semidefinite optimization on quantum computers, in which the goal is to implement thermal measurements rather than prepare thermal states. Finally, we propose quantum algorithms for implementing Fermi-Dirac thermal measurements, and we also propose second-order hybrid quantum-classical optimization algorithms.
Authors: Nikita Kuznetsov, Maksim Kaledin
Abstract: Audio Super-Resolution is a set of techniques aimed at high-quality estimation of the given signal as if it would be sampled with higher sample rate. Among suggested methods there are diffusion and flow models (which are considered slower), generative adversarial networks (which are considered faster), however both approaches are currently presented by high-parametric networks, requiring high computational costs both for training and inference. We propose a solution to both these problems by re-considering the recent advances in the training of diffusion models and applying them to super-resolution from any to 48 kHz sample rate. Our approach shows better results than NU-Wave 2 and is comparable to state-of-the-art models. Our model called FastWave has around 50 GFLOPs of computational complexity and 1.3 M parameters and can be trained with less resources and significantly faster than the majority of recently proposed diffusion- and flow-based solutions. The code has been made publicly available.
Authors: Tarjei Paule Hage, Markus J. Buehler
Abstract: Can reinforcement learning with hard, verifiable rewards teach a compact language model to reason about physics, or does it primarily learn to pattern-match toward correct answers? We study this question by training a 1.5B-parameter reasoning model on beam statics, a classic engineering problem, using parameter-efficient RLVR with binary correctness rewards from symbolic solvers, without teacher-generated reasoning traces. The best BeamPERL checkpoint achieves a 66.7% improvement in Pass@1 over the base model. However, the learned competence is anisotropic: the model generalizes compositionally (more loads) but fails under topological shifts (moved supports) that require the same equilibrium equations. Intermediate checkpoints yield the strongest reasoning, while continued optimization degrades robustness while maintaining reward. These findings reveal a key limitation of outcome-level alignment: reinforcement learning with exact physics rewards induces procedural solution templates rather than internalization of governing equations. The precision of the reward signal - even when analytically exact - does not by itself guarantee transferable physical reasoning. Our results suggest that verifiable rewards may need to be paired with structured reasoning scaffolding to move beyond template matching toward robust scientific reasoning.
Authors: Ikhlas Enaieh (LTCI, S2A), Olivier Fercoq (S2A, LTCI)
Abstract: Deep Neural Networks are powerful tools for solving machine learning problems, but their training often involves dense and costly parameter updates. In this work, we use a novel Max-Plus neural architecture in which classical addition and multiplication are replaced with maximum and summation operations respectively. This is a promising architecture in terms of interpretability, but its training is challenging. A particular feature is that this algebraic structure naturally induces sparsity in the subgradients, as only neurons that contribute to the maximum affect the loss. However, standard backpropagation fails to exploit this sparsity, leading to unnecessary computations. In this work, we focus on the minimization of the worst sample loss which transfers this sparsity to the optimization loss. To address this, we propose a sparse subgradient algorithm that explicitly exploits the algebraic sparsity. By tailoring the optimization procedure to the non-smooth nature of Max-Plus models, our method achieves more efficient updates while retaining theoretical guarantees. This highlights a principled path toward bridging algebraic structure and scalable learning.
Authors: Ilseung Park, Changseob Song, Inseung Kang
Abstract: Developing exoskeleton controllers that generalize across diverse locomotor conditions typically requires extensive motion-capture data and biomechanical labeling, limiting scalability beyond instrumented laboratory settings. Here, we present a physics-based neuromusculoskeletal learning framework that trains a hip-exoskeleton control policy entirely in simulation, without motion-capture demonstrations, and deploys it on hardware via policy distillation. A reinforcement learning teacher policy is trained using a muscle-synergy action prior over a wide range of walking speeds and slopes through a two-stage curriculum, enabling direct comparison between assisted and no-exoskeleton conditions. In simulation, exoskeleton assistance reduces mean muscle activation by up to 3.4% and mean positive joint power by up to 7.0% on level ground and ramp ascent, with benefits increasing systematically with walking speed. On hardware, the assistance profiles learned in simulation are preserved across matched speed-slope conditions (r: 0.82, RMSE: 0.03 Nm/kg), providing quantitative evidence of sim-to-real transfer without additional hardware tuning. These results demonstrate that physics-based neuromusculoskeletal simulation can serve as a practical and scalable foundation for exoskeleton controller development, substantially reducing experimental burden during the design phase.
Authors: Alex Thillen, Niels M\"undler, Veselin Raychev, Martin Vechev
Abstract: Large language model (LLM) coding agents can generate working code, but their solutions often accumulate complexity, duplication, and architectural debt. Human developers address such issues through refactoring: behavior-preserving program transformations that improve structure and maintainability. In this paper, we investigate if LLM agents (i) can execute refactorings reliably and (ii) identify the refactorings that human developers actually chose in real codebases. We present CodeTaste, a benchmark of refactoring tasks mined from large-scale multi-file changes in open-source repositories. To score solutions, we combine repository test suites with custom static checks that verify removal of undesired patterns and introduction of desired patterns using dataflow reasoning. Our experimental results indicate a clear gap across frontier models: agents perform well when refactorings are specified in detail, but often fail to discover the human refactoring choices when only presented with a focus area for improvement. A propose-then-implement decomposition improves alignment, and selecting the best-aligned proposal before implementation can yield further gains. CodeTaste provides an evaluation target and a potential preference signal for aligning coding agents with human refactoring decisions in realistic codebases.
Authors: Piotr Jedryszek, Oliver M. Crook
Abstract: Sparse autoencoders (SAEs) are widely used to extract human-interpretable features from neural network activations, but their learned features can vary substantially across random seeds and training choices. To improve stability, we studied weight regularization by adding L1 or L2 penalties on encoder and decoder weights, and evaluate how regularization interacts with common SAE training defaults. On MNIST, we observe that L2 weight regularization produces a core of highly aligned features and, when combined with tied initialization and unit-norm decoder constraints, it dramatically increases cross-seed feature consistency. For TopK SAEs trained on language model activations (Pythia-70M-deduped), adding a small L2 weight penalty increased the fraction of features shared across three random seeds and roughly doubles steering success rates, while leaving the mean of automated interpretability scores essentially unchanged. Finally, in the regularized setting, activation steering success becomes better predicted by auto-interpretability scores, suggesting that regularization can align text-based feature explanations with functional controllability.
Authors: Cameron Bell, Timothy Johnston, Antoine Luciano, Christian P Robert
Abstract: Theoretical and applied research into privacy encompasses an incredibly broad swathe of differing approaches, emphasis and aims. This work introduces a new quantitative notion of privacy that is both contextual and specific. We argue that it provides a more meaningful notion of privacy than the widely utilised framework of differential privacy and a more explicit and rigorous formulation than what is commonly used in statistical disclosure theory. Our definition relies on concepts inherent to standard Bayesian decision theory, while departing from it in several important respects. In particular, the party controlling the release of sensitive information should make disclosure decisions from the prior viewpoint, rather than conditional on the data, even when the data is itself observed. Illuminating toy examples and computational methods are discussed in high detail in order to highlight the specificities of the method.
Authors: Rapha\"el Razafindralambo, R\'emy Sun, Fr\'ed\'eric Precioso, Damien Garreau, Pierre-Alexandre Mattei
Abstract: Density aggregation is a central problem in machine learning, for instance when combining predictions from a Deep Ensemble. The choice of aggregation remains an open question with two commonly proposed approaches being linear pooling (probability averaging) and geometric pooling (logit averaging). In this work, we address this question by studying the normalized generalized mean of order $r \in \mathbb{R} \cup \{-\infty,+\infty\}$ through the lens of log-likelihood, the standard evaluation criterion in machine learning. This provides a unifying aggregation formalism and shows different optimal configurations for different situations. We show that the regime $r \in [0,1]$ is the only range ensuring systematic improvements relative to individual distributions, thereby providing a principled justification for the reliability and widespread practical use of linear ($r=1$) and geometric ($r=0$) pooling. In contrast, we show that aggregation rules with $r \notin [0,1]$ may fail to provide consistent gains with explicit counterexamples. Finally, we corroborate our theoretical findings with empirical evaluations using Deep Ensembles on image and text classification benchmarks.
Authors: Kwong Yu Chong, Long Feng
Abstract: We introduce Latent Space Distribution Matching (LSDM), a novel framework for semi-supervised generative modeling of conditional distributions. LSDM operates in two stages: (i) learning a low-dimensional latent space from both paired and unpaired data, and (ii) performing joint distribution matching in this space via the 1-Wasserstein distance, using only paired data. This two-step approach minimizes an upper bound on the 1-Wasserstein distance between joint distributions, reducing reliance on scarce paired samples while enabling fast one-step generation. Theoretically, we establish non-asymptotic error bounds and demonstrate a key benefit of unpaired data: enhanced geometric fidelity in generated outputs. Furthermore, by extending the scope of its two core steps, LSDM provides a coherent statistical perspective that connects to a broad class of latent-space approaches. Notably, Latent Diffusion Models (LDMs) can be viewed as a variant of LSDM, in which joint distribution matching is achieved indirectly via score matching. Consequently, our results also provide theoretical insights into the consistency of LDMs. Empirical evaluations on real-world image tasks, including class-conditional generation and image super-resolution, demonstrate the effectiveness of LSDM in leveraging unpaired data to enhance generation quality.
Authors: Alfio Massimiliano Gliozzo, Junkyu Lee, Nahuel Defosse
Abstract: Agentic AI is rapidly transitioning from research prototypes to enterprise deployments, where requirements extend to meet the software quality attributes of reliability, scalability, and observability beyond plausible text generation. We present Agentics 2.0, a lightweight, Python-native framework for building high-quality, structured, explainable, and type-safe agentic data workflows. At the core of Agentics 2.0, the logical transduction algebra formalizes a large language model inference call as a typed semantic transformation, which we call a transducible function that enforces schema validity and the locality of evidence. The transducible functions compose into larger programs via algebraically grounded operators and execute as stateless asynchronous calls in parallel in asynchronous Map-Reduce programs. The proposed framework provides semantic reliability through strong typing, semantic observability through evidence tracing between slots of the input and output types, and scalability through stateless parallel execution. We instantiate reusable design patterns and evaluate the programs in Agentics 2.0 on challenging benchmarks, including DiscoveryBench for data-driven discovery and Archer for NL-to-SQL semantic parsing, demonstrating state-of-the-art performance.
Authors: Zhenting Wang, Huancheng Chen, Jiayun Wang, Wei Wei
Abstract: Large language model (LLM) agents are fundamentally bottlenecked by finite context windows on long-horizon tasks. As trajectories grow, retaining tool outputs and intermediate reasoning in-context quickly becomes infeasible: the working context becomes prohibitively long, eventually exceeds the context budget, and makes distant evidence harder to use even when it is still present. Existing solutions typically shorten context through truncation or running summaries, but these methods are fundamentally lossy because they compress or discard past evidence itself. We introduce Memex, an indexed experience memory mechanism that instead compresses context without discarding evidence. Memex maintains a compact working context consisting of concise structured summaries and stable indices, while storing full-fidelity underlying interactions in an external experience database under those indices. The agent can then decide when to dereference an index and recover the exact past evidence needed for the current subgoal. We optimize both write and read behaviors with our reinforcement learning framework MemexRL, using reward shaping tailored to indexed memory usage under a context budget, so the agent learns what to summarize, what to archive, how to index it, and when to retrieve it. This yields a substantially less lossy form of long-horizon memory than summary-only approaches. We further provide a theoretical analysis showing the potential of the Memex loop to preserve decision quality with bounded dereferencing while keeping effective in-context computation bounded as history grows. Empirically, on challenging long-horizon tasks, Memex agent trained with MemexRL improves task success while using a significantly smaller working context.
Authors: Ioannis Prokopiou, Ioannis Sina, Agisilaos Kounelis, Pantelis Vikatos, Themos Stafylakis
Abstract: The advancement of Machine learning (ML), Large Audio Language Models (LALMs), and autonomous AI agents in Music Information Retrieval (MIR) necessitates a shift from static tagging to rich, human-aligned representation learning. However, the scarcity of open-source infrastructure capable of capturing the subjective nuances of audio annotation remains a critical bottleneck. This paper introduces \textbf{LabelBuddy}, an open-source collaborative auto-tagging audio annotation tool designed to bridge the gap between human intent and machine understanding. Unlike static tools, it decouples the interface from inference via containerized backends, allowing users to plug in custom models for AI-assisted pre-annotation. We describe the system architecture, which supports multi-user consensus, containerized model isolation, and a roadmap for extending agents and LALMs. Code available at https://github.com/GiannisProkopiou/gsoc2022-Label-buddy.
URLs: https://github.com/GiannisProkopiou/gsoc2022-Label-buddy.
Authors: Elan Barenholtz
Abstract: Recent work interprets the linear recoverability of geographic and temporal variables from large language model (LLM) hidden states as evidence for world-like internal representations. We test a simpler possibility: that much of the relevant structure is already latent in text itself. Applying the same class of ridge regression probes to static co-occurrence-based embeddings (GloVe and Word2Vec), we find substantial recoverable geographic signal and weaker but reliable temporal signal, with held-out R^2 values of 0.71-0.87 for city coordinates and 0.48-0.52 for historical birth years. Semantic-neighbor analyses and targeted subspace ablations show that these signals depend strongly on interpretable lexical gradients, especially country names and climate-related vocabulary. These findings suggest that ordinary word co-occurrence preserves richer spatial, temporal, and environmental structure than is often assumed, revealing a remarkable and underappreciated capacity of simple static embeddings to preserve world-shaped structure from text alone. Linear probe recoverability alone therefore does not establish a representational move beyond text.
Authors: Damian J. Ruck, Paul Vautravers, Oliver Chalkley, Jake Thomas
Abstract: Evaluation of AI systems often requires synthetic test cases, particularly for rare or safety-critical conditions that are difficult to observe in operational data. Generative AI offers a promising approach for producing such data through controllable image editing, but its usefulness depends on whether the resulting images are sufficiently realistic to support meaningful evaluation. We present a scalable framework for assessing the realism of synthetic image-editing methods and apply it to the task of adding environmental conditions-fog, rain, snow, and nighttime-to car-mounted camera images. Using 40 clear-day images, we compare rule-based augmentation libraries with generative AI image-editing models. Realism is evaluated using two complementary automated metrics: a vision-language model (VLM) jury for perceptual realism assessment, and embedding-based distributional analysis to measure similarity to genuine adverse-condition imagery. Generative AI methods substantially outperform rule-based approaches, with the best generative method achieving approximately 3.6 times the acceptance rate of the best rule-based method. Performance varies across conditions: fog proves easiest to simulate, while nighttime transformations remain challenging. Notably, the VLM jury assigns imperfect acceptance even to real adverse-condition imagery, establishing practical ceilings against which synthetic methods can be judged. By this standard, leading generative methods match or exceed real-image performance for most conditions. These results suggest that modern generative image-editing models can enable scalable generation of realistic adverse-condition imagery for evaluation pipelines. Our framework therefore provides a practical approach for scalable realism evaluation, though validation against human studies remains an important direction for future work.
Authors: Madhura Edirisooriya, Dasuni Kawya, Ishan Kumarasinghe, Isuri Devindi, Mary M. Maleckar, Roshan Ragel, Isuru Nawinne, Vajira Thambawita
Abstract: Deep learning in cardiac MRI (CMR) is fundamentally constrained by both data scarcity and privacy regulations. This study systematically benchmarks three generative architectures: Denoising Diffusion Probabilistic Models (DDPM), Latent Diffusion Models (LDM), and Flow Matching (FM) for synthetic CMR generation. Utilizing a two-stage pipeline where anatomical masks condition image synthesis, we evaluate generated data across three critical axes: fidelity, utility, and privacy. Our results show that diffusion-based models, particularly DDPM, provide the most effective balance between downstream segmentation utility, image fidelity, and privacy preservation under limited-data conditions, while FM demonstrates promising privacy characteristics with slightly lower task-level performance. These findings quantify the trade-offs between cross-domain generalization and patient confidentiality, establishing a framework for safe and effective synthetic data augmentation in medical imaging.
Authors: Clarissa Loures, Caio Hosken, Luan Oliveira, Gianlucca Zuin, Adriano Veloso
Abstract: Attributing authorship to paintings is a historically complex task, and one of its main challenges is the limited availability of real artworks for training computational models. This study investigates whether synthetic images, generated through DreamBooth fine-tuning of Stable Diffusion, can improve the performance of classification models in this context. We propose a hybrid approach that combines real and synthetic data to enhance model accuracy and generalization across similar artistic styles. Experimental results show that adding synthetic images leads to higher ROC-AUC and accuracy compared to using only real paintings. By integrating generative and discriminative methods, this work contributes to the development of computer vision techniques for artwork authentication in data-scarce scenarios.
Authors: Ozan Ayg\"un, Vincenzo Norman Vitale, Antonia M. Tulino, Hao Feng, Elza Erkip, Jaime Llorca
Abstract: Next-generation networks aim to provide performance guarantees to real-time interactive services that require timely and cost-efficient packet delivery. In this context, the goal is to reliably deliver packets with strict deadlines imposed by the application while minimizing overall resource allocation cost. A large body of work has leveraged stochastic optimization techniques to design efficient dynamic routing and scheduling solutions under average delay constraints; however, these methods fall short when faced with strict per-packet delay requirements. We formulate the minimum-cost delay-constrained network control problem as a constrained Markov decision process and utilize constrained deep reinforcement learning (CDRL) techniques to effectively minimize total resource allocation cost while maintaining timely throughput above a target reliability level. Results indicate that the proposed CDRL-based solution can ensure timely packet delivery even when existing baselines fall short, and it achieves lower cost compared to other throughput-maximizing methods.
Authors: Soroush Nasiriany, Sepehr Nasiriany, Abhiram Maddukuri, Yuke Zhu
Abstract: Recent advances in robot learning have accelerated progress toward generalist robots that can perform everyday tasks in human environments. Yet it remains difficult to gauge how close we are to this vision. The field lacks a reproducible, large-scale benchmark for systematic evaluation. To fill this gap, we present RoboCasa365, a comprehensive simulation benchmark for household mobile manipulation. Built on the RoboCasa platform, RoboCasa365 introduces 365 everyday tasks across 2,500 diverse kitchen environments, with over 600 hours of human demonstration data and over 1600 hours of synthetically generated demonstration data -- making it one of the most diverse and large-scale resources for studying generalist policies. RoboCasa365 is designed to support systematic evaluations for different problem settings, including multi-task learning, robot foundation model training, and lifelong learning. We conduct extensive experiments on this benchmark with state-of-the-art methods and analyze the impacts of task diversity, dataset scale, and environment variation on generalization. Our results provide new insights into what factors most strongly affect the performance of generalist robots and inform strategies for future progress in the field.
Authors: Zachary Novack, Zack Zukowski, CJ Carr, Julian Parker, Zach Evans, Josiah Taylor, Taylor Berg-Kirkpatrick, Julian McAuley, Jordi Pons
Abstract: Generative audio requires fine-grained controllable outputs, yet most existing methods require model retraining on specific controls or inference-time controls (\textit{e.g.}, guidance) that can also be computationally demanding. By examining the bottlenecks of existing guidance-based controls, in particular their high cost-per-step due to decoder backpropagation, we introduce a guidance-based approach through selective TFG and Latent-Control Heads (LatCHs), which enables controlling latent audio diffusion models with low computational overhead. LatCHs operate directly in latent space, avoiding the expensive decoder step, and requiring minimal training resources (7M parameters and $\approx$ 4 hours of training). Experiments with Stable Audio Open demonstrate effective control over intensity, pitch, and beats (and a combination of those) while maintaining generation quality. Our method balances precision and audio fidelity with far lower computational costs than standard end-to-end guidance. Demo examples can be found at https://zacharynovack.github.io/latch/latch.html.
Authors: Chen Sun, Yash Vekaria, Zubair Shafiq, Rishab Nithyanand
Abstract: YouTube has evolved into a powerful platform that where creators monetize their influence through affiliate marketing, raising concerns about transparency and ethics, especially when creators fail to disclose their affiliate relationships. Although regulatory agencies like the US Federal Trade Commission (FTC) have issued guidelines to address these issues, non-compliance and consumer harm persist, and the extent of these problems remains unclear. In this paper, we introduce tools, developed with insights from recent advances in Web measurement and NLP research, to examine the state of the affiliate marketing ecosystem on YouTube. We apply these tools to a 10-year dataset of 2 million videos from nearly 540,000 creators, analyzing the prevalence of affiliate marketing on YouTube and the rates of non-compliant behavior. Our findings reveal that affiliate links are widespread, yet dis- closure compliance remains low, with most videos failing to meet FTC standards. Furthermore, we analyze the effects of different stakeholders in improving disclosure behavior. Our study suggests that the platform is highly associated with improved compliance through standardized disclosure features. We recommend that regulators and affiliate partners collaborate with platforms to enhance transparency, accountability, and trust in the influencer economy.
Authors: Haian Jin, Rundi Wu, Tianyuan Zhang, Ruiqi Gao, Jonathan T. Barron, Noah Snavely, Aleksander Holynski
Abstract: Feed-forward transformer models have driven rapid progress in 3D vision, but state-of-the-art methods such as VGGT and $\pi^3$ have a computational cost that scales quadratically with the number of input images, making them inefficient when applied to large image collections. Sequential-reconstruction approaches reduce this cost but sacrifice reconstruction quality. We introduce ZipMap, a stateful feed-forward model that achieves linear-time, bidirectional 3D reconstruction while matching or surpassing the accuracy of quadratic-time methods. ZipMap employs test-time training layers to zip an entire image collection into a compact hidden scene state in a single forward pass, enabling reconstruction of over 700 frames in under 10 seconds on a single H100 GPU, more than $20\times$ faster than state-of-the-art methods such as VGGT. Moreover, we demonstrate the benefits of having a stateful representation in real-time scene-state querying and its extension to sequential streaming reconstruction.
Authors: Jiezhong Wu, Jack O'Brien, Jennifer Li, M. S. Krafczyk, Ved G. Shah, Amanda R. Wasserman, Daniel W. Apley, Gautham Narayan, Noelle I. Samia
Abstract: The discovery rate of optical transients will explode to 10 million public alerts per night once the Vera C. Rubin Observatory's Legacy Survey of Space and Time comes online, overwhelming the traditional physics-based inference pipelines. A continuous-time forecasting AI model is of interest because it can deliver millisecond-scale inference for thousands of objects per day, whereas legacy MCMC codes need hours per object. In this paper, we propose SELDON, a new continuous-time variational autoencoder for panels of sparse and irregularly time-sampled (gappy) astrophysical light curves that are nonstationary, heteroscedastic, and inherently dependent. SELDON combines a masked GRU-ODE encoder with a latent neural ODE propagator and an interpretable Gaussian-basis decoder. The encoder learns to summarize panels of imbalanced and correlated data even when only a handful of points are observed. The neural ODE then integrates this hidden state forward in continuous time, extrapolating to future unseen epochs. This extrapolated time series is further encoded by deep sets to a latent distribution that is decoded to a weighted sum of Gaussian basis functions, the parameters of which are physically meaningful. Such parameters (e.g., rise time, decay rate, peak flux) directly drive downstream prioritization of spectroscopic follow-up for astrophysical surveys. Beyond astronomy, the architecture of SELDON offers a generic recipe for interpretable and continuous-time sequence modeling in any time domain where data are multivariate, sparse, heteroscedastic, and irregularly spaced.
Authors: Aadya Agrawal, Alexander Schwing
Abstract: Human motion prediction combines the tasks of trajectory forecasting and human pose prediction. For each of the two tasks, specialized models have been developed. Combining these models for holistic human motion prediction is non-trivial, and recent methods have struggled to compete on established benchmarks for individual tasks. To address this, we propose a simple yet effective transformer-based model for human motion prediction. The model employs a stack of self-attention modules to effectively capture both spatial dependencies within a pose and temporal relationships across a motion sequence. This simple, streamlined, end-to-end model is sufficiently versatile to handle pose-only, trajectory-only, and combined prediction tasks without task-specific modifications. We demonstrate that this approach achieves state-of-the-art results across all tasks through extensive experiments on a wide range of benchmark datasets, including Human3.6M, AMASS, ETH-UCY, and 3DPW.
Authors: Mila AI4Science, :, Alex Hernandez-Garcia, Alexandre Duval, Alexandra Volokhova, Yoshua Bengio, Divya Sharma, Pierre Luc Carrier, Yasmine Benabed, Micha{\l} Koziarski, Victor Schmidt, Gian-Marco Rignanese, Pierre-Paul De Breuck, Paulette Clancy
Abstract: The discovery of novel solid-state materials, such as electrocatalysts, super-ionic conductors, or photovoltaic materials, plays a critical role in addressing various global challenges. It has, for instance, the potential to significantly improve the efficiency of renewable energy production and storage, thereby making substantial contributions to climate crisis mitigation strategies. In this paper, we introduce Crystal-GFN, a generative model of crystal structures possessing desirable properties and constraints. Operating as a multi-environment, continuous-discrete GFlowNet, it sequentially samples structural attributes of crystalline materials, namely space group, composition and lattice parameters. This domain-inspired approach enables the flexible incorporation of physicochemical and geometric hard constraints. We demonstrate the capabilities of Crystal-GFN to efficiently discover diverse and valid crystals with various properties: low predicted formation energy (median -3.2 eV/atom), band gap close to a target value and high density. Overall, Crystal-GFN is a crystal generation method that addresses several existing challenges in the literature and opens promising paths for accelerating materials discovery with machine learning.
Authors: Steve Hanneke, Shay Moran, Tom Waknine
Abstract: List learning is a variant of supervised classification where the learner outputs multiple plausible labels for each instance rather than just one. We investigate classical principles related to generalization within the context of list learning. Our primary goal is to determine whether classical principles in the PAC setting retain their applicability in the domain of list PAC learning. We focus on uniform convergence (which is the basis of Empirical Risk Minimization) and on sample compression (which is a powerful manifestation of Occam's Razor). In classical PAC learning, both uniform convergence and sample compression satisfy a form of `completeness': whenever a class is learnable, it can also be learned by a learning rule that adheres to these principles. We ask whether the same completeness holds true in the list learning setting. We show that uniform convergence remains equivalent to learnability in the list PAC learning setting. In contrast, our findings reveal surprising results regarding sample compression: we prove that when the label space is $Y=\{0,1,2\}$, then there are 2-list-learnable classes that cannot be compressed. This refutes the list version of the sample compression conjecture by Littlestone and Warmuth (1986). We prove an even stronger impossibility result, showing that there are $2$-list-learnable classes that cannot be compressed even when the reconstructed function can work with lists of arbitrarily large size. We prove a similar result for (1-list) PAC learnable classes when the label space is unbounded. This generalizes a recent result by arXiv:2308.06424.
Authors: Octavio Pappalardo, Rodrigo Ramele, Juan Miguel Santos
Abstract: The broader application of reinforcement learning (RL) is limited by challenges including data efficiency, generalization capability, and ability to learn in sparse-reward environments. Meta-learning has emerged as a promising approach to address these issues by optimizing components of the learning algorithm to meet desired characteristics. Additionally, a different line of work has extensively studied the use of intrinsic rewards to enhance the exploration capabilities of algorithms. This work investigates how meta-learning can improve the training signal received by RL agents. We introduce a method to learn intrinsic rewards within a reinforcement learning framework that bypasses the typical computation of meta-gradients through an optimization process by treating policy updates as black boxes. We validate our approach against training with extrinsic rewards, demonstrating its effectiveness, and additionally compare it to the use of a meta-learned advantage function. Experiments are carried out on distributions of continuous control tasks with both parametric and non-parametric variations. Furthermore, only sparse rewards are used during evaluation. Code is available at: https: //github.com/Octavio-Pappalardo/Meta-learning-rewards
Authors: Sergei Kholkin, Grigoriy Ksenofontov, David Li, Nikita Kornilov, Nikita Gushchin, Alexandra Suvorikova, Alexey Kroshnin, Evgeny Burnaev, Alexander Korotin
Abstract: The Iterative Markovian Fitting (IMF) procedure, which iteratively projects onto the space of Markov processes and the reciprocal class, successfully solves the Schr\"odinger Bridge (SB) problem. However, an efficient practical implementation requires a heuristic modification -- alternating between fitting forward and backward time diffusion at each iteration. This modification is crucial for stabilizing training and achieving reliable results in applications such as unpaired domain translation. Our work reveals a close connection between the modified version of IMF and the Iterative Proportional Fitting (IPF) procedure -- a foundational method for the SB problem, also known as Sinkhorn's algorithm. Specifically, we demonstrate that the heuristic modification of the IMF effectively integrates both IMF and IPF procedures. We refer to this combined approach as the Iterative Proportional Markovian Fitting (IPMF) procedure. Through theoretical and empirical analysis, we establish the convergence of the IPMF procedure under various settings, contributing to developing a unified framework for solving SB problems. Moreover, from a practical standpoint, the IPMF procedure enables a flexible trade-off between image similarity and generation quality, offering a new mechanism for tailoring models to specific tasks.
Authors: Hwan Kim, Junghoon Kim, Sungsu Lim
Abstract: While GNN-based detection methods excel at identifying overt outliers, they often struggle with boundary anomalies -- subtly camouflaged nodes that are difficult to distinguish from normal instances. This limitation highlights a fundamental gap in the reasoning capabilities of existing methods. We attribute this issue to the reliance of standard Graph Contrastive Learning (GCL) on easy negatives, which fosters the learning of simplistic decision boundaries. To address this issue, we propose ANOMIX, a framework that synthesizes informative hard negatives by linearly interpolating representations of normal and abnormal subgraphs. This graph mixup strategy intentionally populates the decision boundary with hard-to-detect samples. Through targeted experimental analysis, we demonstrate that ANOMIX successfully separates these boundary anomalies where state-of-the-art baselines fail, as shown by a clear distinction in the score distributions for these challenging cases. These findings suggest that synthesizing hard negatives via mixup is a potent strategy for refining GNN representation space, which in turn enhances its reasoning capacity for more robust and reliable graph anomaly detection. Code is available at https://github.com/missinghwan/ANOMIX.
Authors: Antonio Barbalau
Abstract: In subpopulation shift scenarios, a Curriculum Learning (CL) approach would only serve to imprint the model weights, early on, with the easily learnable spurious correlations featured. To the best of our knowledge, none of the current state-of-the-art subpopulation shift approaches employ any kind of curriculum. To overcome this, we design a CL approach aimed at initializing the model weights in an unbiased vantage point in the hypothesis space which sabotages easy convergence towards biased hypotheses during the final optimization based on the entirety of the available data. We hereby propose a Curriculum-enhanced Group Distributionally Robust Optimization (CeGDRO) approach, which prioritizes the hardest bias-confirming samples and the easiest bias-conflicting samples, leveraging GroupDRO to balance the initial discrepancy in terms of difficulty. We benchmark our proposed method against the most popular subpopulation shift datasets, showing an increase over the state-of-the-art results across all scenarios, up to 6.2% on Waterbirds.
Authors: Zhengnan Li, Haoxuan Li, Hao Wang, Jun Fang, Yuting Tan, Xilong Cheng Yunxiao Qin
Abstract: Time series forecasting (TSF) plays a crucial role in various domains, including web data analysis, energy consumption prediction, and weather forecasting. While Multi-Layer Perceptrons (MLPs) are lightweight and effective for capturing temporal dependencies, they are prone to overfitting when used to model inter-channel dependencies. In this paper, we investigate the overfitting problem in channel-wise MLPs using Rademacher complexity theory, revealing that extreme values in time series data exacerbate this issue. To mitigate this issue, we introduce a novel Simplex-MLP layer, where the weights are constrained within a standard simplex. This strategy encourages the model to learn simpler patterns and thereby reducing overfitting to extreme values. Based on the Simplex-MLP layer, we propose a novel \textbf{F}requency \textbf{S}implex \textbf{MLP} (FSMLP) framework for time series forecasting, comprising of two kinds of modules: \textbf{S}implex \textbf{C}hannel-\textbf{W}ise MLP (SCWM) and \textbf{F}requency \textbf{T}emporal \textbf{M}LP (FTM). The SCWM effectively leverages the Simplex-MLP to capture inter-channel dependencies, while the FTM is a simple yet efficient temporal MLP designed to extract temporal information from the data. Our theoretical analysis shows that the upper bound of the Rademacher Complexity for Simplex-MLP is lower than that for standard MLPs. Moreover, we validate our proposed method on seven benchmark datasets, demonstrating significant improvements in forecasting accuracy and efficiency, while also showcasing superior scalability. Additionally, we demonstrate that Simplex-MLP can improve other methods that use channel-wise MLP to achieve less overfitting and improved performance. Code are available \href{https://github.com/FMLYD/FSMLP}{\textcolor{red}{here}}.
Authors: Egor Cherepanov, Nikita Kachaev, Artem Zholus, Alexey K. Kovalev, Aleksandr I. Panov
Abstract: The incorporation of memory into agents is essential for numerous tasks within the domain of Reinforcement Learning (RL). In particular, memory is paramount for tasks that require the use of past information, adaptation to novel environments, and improved sample efficiency. However, the term "memory" encompasses a wide range of concepts, which, coupled with the lack of a unified methodology for validating an agent's memory, leads to erroneous judgments about agents' memory capabilities and prevents objective comparison with other memory-enhanced agents. This paper aims to streamline the concept of memory in RL by providing practical precise definitions of agent memory types, such as long-term vs. short-term memory and declarative vs. procedural memory, inspired by cognitive science. Using these definitions, we categorize different classes of agent memory, propose a robust experimental methodology for evaluating the memory capabilities of RL agents, and standardize evaluations. Furthermore, we empirically demonstrate the importance of adhering to the proposed methodology when evaluating different types of agent memory by conducting experiments with different RL agents and what its violation leads to.
Authors: Yi-Ge Zhang, Jingyi Cui, Qiran Li, Yisen Wang
Abstract: Unsupervised contrastive learning has shown significant performance improvements in recent years, often approaching or even rivaling supervised learning in various tasks. However, its learning mechanism is fundamentally different from supervised learning. Previous works have shown that difficult examples (well-recognized in supervised learning as examples around the decision boundary), which are essential in supervised learning, contribute minimally in unsupervised settings. In this paper, perhaps surprisingly, we find that the direct removal of difficult examples, although reduces the sample size, can boost the downstream classification performance of contrastive learning. To uncover the reasons behind this, we develop a theoretical framework modeling the similarity between different pairs of samples. Guided by this framework, we conduct a thorough theoretical analysis revealing that the presence of difficult examples negatively affects the generalization of contrastive learning. Furthermore, we demonstrate that the removal of these examples, and techniques such as margin tuning and temperature scaling can enhance its generalization bounds, thereby improving performance. Empirically, we propose a simple and efficient mechanism for selecting difficult examples and validate the effectiveness of the aforementioned methods, which substantiates the reliability of our proposed theoretical framework.
Authors: Dawei Li, Renliang Sun, Yue Huang, Ming Zhong, Bohan Jiang, Jiawei Han, Xiangliang Zhang, Wei Wang, Huan Liu
Abstract: Large Language Models (LLMs) as judges and LLM-based data synthesis have emerged as two fundamental LLM-driven data annotation methods in model development. While their combination significantly enhances the efficiency of model training and evaluation, little attention has been given to the potential contamination brought by this new model development paradigm. In this work, we expose preference leakage, a contamination problem in LLM-as-a-judge caused by the relatedness between the synthetic data generators and LLM-based evaluators. To study this issue, we first define three common relatednesses between the data generator LLM and the judge LLM: being the same model, having an inheritance relationship, and belonging to the same model family. Through extensive experiments, we empirically confirm the bias of judges towards their related student models caused by preference leakage across multiple LLM baselines and benchmarks. Further analysis suggests that preference leakage is a pervasive and real-world problem that is harder to detect compared to previously identified biases in LLM-as-a-judge scenarios. All of these findings imply that preference leakage is a widespread and challenging problem in the area of LLM-as-a-judge. We release all codes and data at: https://github.com/David-Li0406/Preference-Leakage.
Authors: Egor Cherepanov, Nikita Kachaev, Alexey K. Kovalev, Aleksandr I. Panov
Abstract: Memory is crucial for enabling agents to tackle complex tasks with temporal and spatial dependencies. While many reinforcement learning (RL) algorithms incorporate memory, the field lacks a universal benchmark to assess an agent's memory capabilities across diverse scenarios. This gap is particularly evident in tabletop robotic manipulation, where memory is essential for solving tasks with partial observability and ensuring robust performance, yet no standardized benchmarks exist. To address this, we introduce MIKASA (Memory-Intensive Skills Assessment Suite for Agents), a comprehensive benchmark for memory RL, with three key contributions: (1) we propose a comprehensive classification framework for memory-intensive RL tasks, (2) we collect MIKASA-Base -- a unified benchmark that enables systematic evaluation of memory-enhanced agents across diverse scenarios, and (3) we develop MIKASA-Robo (pip install mikasa-robo-suite) -- a novel benchmark of 32 carefully designed memory-intensive tasks that assess memory capabilities in tabletop robotic manipulation. Our work introduces a unified framework to advance memory RL research, enabling more robust systems for real-world use. MIKASA is available at https://tinyurl.com/membenchrobots.
Authors: Martin Kuhn, Joscha Gr\"uger, Tobias Geyer, Ralph Bergmann
Abstract: The rapid progress in modern medicine presents physicians with complex challenges when planning patient treatment. Techniques from the field of Predictive Business Process Monitoring, like Next-activity-prediction (NAP) can be used as a promising technique to support physicians in treatment planning, by proposing a possible next treatment step. Existing patient data, often in the form of electronic health records, can be analyzed to recommend the next suitable step in the treatment process. However, the use of patient data poses many challenges due to its knowledge-intensive character, high variability and scarcity of medical data. To overcome these challenges, this article examines the use of the knowledge encoded in taxonomies to improve and explain the prediction of the next activity in the treatment process. This study proposes the TS4NAP approach, which uses medical taxonomies (ICD-10-CM and ICD-10-PCS) in combination with graph matching to assess the similarities of medical codes to predict the next treatment step. The effectiveness of the proposed approach will be evaluated using event logs that are derived from the MIMIC-IV dataset. The results highlight the potential of using domain-specific knowledge held in taxonomies to improve the prediction of the next activity, and thus can improve treatment planning and decision-making by making the predictions more explainable.
Authors: Rintaro Ando
Abstract: We present Noise-to-Meaning Recursive Self-Improvement (N2M-RSI), a minimal formal model showing that once an AI agent feeds its own outputs back as inputs and crosses an explicit information-integration threshold, its internal complexity will grow without bound under our assumptions. The framework unifies earlier ideas on self-prompting large language models, G\"odelian self-reference, and AutoML, yet remains implementation-agnostic. The model furthermore scales naturally to interacting swarms of agents, hinting at super-linear effects once communication among instances is permitted. For safety reasons, we omit system-specific implementation details and release only a brief, model-agnostic toy prototype in Appendix C.
Authors: Yotam Norman, Ron Meir
Abstract: We propose a novel unsupervised framework for \emph{Invariant Risk Minimization} (IRM), extending the concept of invariance to settings where labels are unavailable. Traditional IRM methods rely on labeled data to learn representations that are robust to distributional shifts across environments. In contrast, our approach redefines invariance through feature distribution alignment, enabling robust representation learning from unlabeled data. We introduce two methods within this framework: Principal Invariant Component Analysis (PICA), a linear method that extracts invariant directions under Gaussian assumptions, and Variational Invariant Autoencoder (VIAE), a deep generative model that separates environment-invariant and environment-dependent latent factors. Our approach is based on a novel ``unsupervised'' structural causal model and supports environment-conditioned sample-generation and intervention. Empirical evaluations on synthetic dataset, modified versions of MNIST, and CelebA demonstrate the effectiveness of our methods in capturing invariant structure, preserving relevant information, and generalizing across environments without access to labels.
Authors: Vijay Ekambaram, Subodh Kumar, Arindam Jati, Sumanta Mukherjee, Tomoya Sakai, Pankaj Dayama, Wesley M. Gifford, Jayant Kalagnanam
Abstract: Time-series tasks often benefit from signals expressed across multiple representation spaces (e.g., time vs. frequency) and at varying abstraction levels (e.g., local patterns vs. global semantics). However, existing pre-trained time-series models entangle these heterogeneous signals into a single large embedding, limiting transferability and direct zero-shot usability. To address this, we propose TSPulse, family of ultra-light pre-trained models (1M parameters) with disentanglement properties, specialized for various time-series diagnostic tasks. TSPulse introduces a novel pre-training framework that augments masked reconstruction with explicit disentanglement across spaces and abstractions, learning three complementary embedding views (temporal, spectral, and semantic) to effectively enable zero-shot transfer. In-addition, we introduce various lightweight post-hoc fusers that selectively attend and fuse these disentangled views based on task type, enabling simple but effective task specializations. To further improve robustness and mitigate mask-induced bias prevalent in existing approaches, we propose a simple yet effective hybrid masking strategy that enhances missing diversity during pre-training. Despite its compact size, TSPulse achieves strong and consistent gains across four TS diagnostic tasks: +20% on the TSB-AD anomaly detection leaderboard, +25% on similarity search, +50% on imputation, and +5-16% on multivariate classification, outperforming models that are 10-100X larger on over 75 datasets. TSPulse delivers state-of-the-art zero-shot performance, efficient fine-tuning, and supports GPU-free deployment. Models and source code are publicly available at https://huggingface.co/ibm-granite/granite-timeseries-tspulse-r1.
URLs: https://huggingface.co/ibm-granite/granite-timeseries-tspulse-r1.
Authors: Lan V. Truong
Abstract: We study best-arm identification in stochastic multi-armed bandits under the fixed-confidence setting, focusing on instances with multiple optimal arms. Unlike prior work that addresses the unknown-number-of-optimal-arms case, we consider the setting where the number of optimal arms is known in advance. We derive a new information-theoretic lower bound on the expected sample complexity that leverages this structural knowledge and is strictly tighter than previous bounds. Building on the Track-and-Stop algorithm, we propose a modified, tie-aware stopping rule and prove that it achieves asymptotic instance-optimality, matching the new lower bound. Our results provide the first formal guarantee of optimality for Track-and-Stop in multi-optimal settings with known cardinality, offering both theoretical insights and practical guidance for efficiently identifying any optimal arm.
Authors: Dmitry Dudukalov, Artem Logachov, Vladimir Lotov, Timofei Prasolov, Evgeny Prokopenko, Anton Tarasenko
Abstract: We study the convergence properties and escape dynamics of Stochastic Gradient Descent (SGD) in one-dimensional landscapes, separately considering infinite- and finite-variance noise. Our main focus is to identify the time scales on which SGD reliably moves from an initial point to the local minimum in the same ''basin''. Under suitable conditions on the noise distribution, we prove that SGD converges to the basin's minimum unless the initial point lies too close to a local maximum. In that near-maximum scenario, we show that SGD can linger for a long time in its neighborhood. For initial points near a ''sharp'' maximum, we show that SGD does not remain stuck there, and we provide results to estimate the probability that it will reach each of the two neighboring minima. Overall, our findings present a nuanced view of SGD's transitions between local maxima and minima, influenced by both noise characteristics and the underlying function geometry.
Authors: Geon-Hyeong Kim, Yu Jin Kim, Byoungjip Kim, Honglak Lee, Kyunghoon Bae, Youngsoo Jang, Moontae Lee
Abstract: As Large Language Models (LLMs) are increasingly deployed in real-world applications, balancing helpfulness and safety has become a central challenge. A natural approach is to incorporate safety constraints into Reinforcement Learning from Human Feedback (RLHF), where recent studies have shown promising progress. However, these methods often rely on auxiliary networks or multi-stage pipelines, thereby increasing complexity. In this work, we revisit the original safety alignment objective and show that, under mild assumptions, it admits a closed-form optimal policy. We further derive a provably equivalent and tractable objective, enabling direct optimization. Building on this insight, we propose SafeDPO, a lightweight method that preserves the optimal solution of the underlying safety-constrained objective while requiring only one additional hyperparameter and minimal modifications to existing preference-based training methods. SafeDPO eliminates the need for reward models, cost models, and online sampling, relying only on preference data and safety indicators. Despite its simplicity, SafeDPO achieves competitive safety-helpfulness trade-offs compared to existing safety alignment methods. Experiments on the PKU-SafeRLHF-30K benchmark demonstrate that SafeDPO substantially improves safety while maintaining competitive helpfulness. Ablation studies further show that the additional hyperparameter provides a flexible mechanism to enhance safety while preserving the theoretical optimum, and confirm that SafeDPO scales reliably to LLMs with up to 13B parameters. Overall, our results highlight that a simple, theory-driven objective can provide a lightweight yet effective solution for safety alignment in practice.
Authors: Hrushikesh N. Mhaskar, Efstratios Tsoukanis, Ameya D. Jagtap
Abstract: A central problem in machine learning is often formulated as follows: Given a dataset $\{(x_j, y_j)\}_{j=1}^M$, which is a sample drawn from an unknown probability distribution, the goal is to construct a functional model $f$ such that $f(x) \approx y$ for any $(x, y)$ drawn from the same distribution. Neural networks and kernel-based methods are commonly employed for this task due to their capacity for fast and parallel computation. The approximation capabilities, or expressive power, of these methods have been extensively studied over the past 35 years. In this paper, we will present examples of key ideas in this area found in the literature. We will discuss emerging trends in machine learning including the role of shallow/deep networks, approximation on manifolds, physics-informed neural surrogates, neural operators, and transformer architectures. Despite function approximation being a fundamental problem in machine learning, approximation theory does not play a central role in the theoretical foundations of the field. One unfortunate consequence of this disconnect is that it is often unclear how well trained models will generalize to unseen or unlabeled data. In this review, we examine some of the shortcomings of the current machine learning framework and explore the reasons for the gap between approximation theory and machine learning practice. We will then introduce our novel research to achieve function approximation on unknown manifolds without the need to learn specific manifold features, such as the eigen-decomposition of the Laplace-Beltrami operator or atlas construction. In many machine learning problems, particularly classification tasks, the labels $y_j$ are drawn from a finite set of values.
Authors: Saeed Hedayatian, Stefanos Nikolaidis
Abstract: Quality-Diversity (QD) algorithms have shown remarkable success in discovering diverse, high-performing solutions, but rely heavily on hand-crafted behavioral descriptors that constrain exploration to predefined notions of diversity. Leveraging the equivalence between policies and occupancy measures, we present a theoretically grounded approach to automatically generate behavioral descriptors by embedding the occupancy measures of policies in Markov Decision Processes. Our method, AutoQD, leverages random Fourier features to approximate the Maximum Mean Discrepancy (MMD) between policy occupancy measures, creating embeddings whose distances reflect meaningful behavioral differences. A low-dimensional projection of these embeddings that captures the most behaviorally significant dimensions can then be used as behavioral descriptors for CMA-MAE, a state of the art blackbox QD method, to discover diverse policies. We prove that our embeddings converge to true MMD distances between occupancy measures as the number of sampled trajectories and embedding dimensions increase. Through experiments in multiple continuous control tasks we demonstrate AutoQD's ability in discovering diverse policies without predefined behavioral descriptors, presenting a well-motivated alternative to prior methods in unsupervised Reinforcement Learning and QD optimization. Our approach opens new possibilities for open-ended learning and automated behavior discovery in sequential decision making settings without requiring domain-specific knowledge. Source code is available at https://github.com/conflictednerd/autoqd-code.
Authors: Charmaine Barker, Daniel Bethell, Simos Gerasimou
Abstract: Reliability of deep learning models is critical for deployment in high-stakes applications, where out-of-distribution or adversarial inputs may lead to detrimental outcomes. Evidential Deep Learning, an efficient paradigm for uncertainty quantification, models predictions as Dirichlet distributions of a single forward pass. However, EDL is particularly vulnerable to adversarially perturbed inputs, making overconfident errors. Conflict-aware Evidential Deep Learning (C-EDL) is a lightweight post-hoc uncertainty quantification approach that mitigates these issues, enhancing adversarial and OOD robustness without retraining. C-EDL generates diverse, task-preserving transformations per input and quantifies representational disagreement to calibrate uncertainty estimates when needed. C-EDL's conflict-aware prediction adjustment improves detection of OOD and adversarial inputs, maintaining high in-distribution accuracy and low computational overhead. Our experimental evaluation shows that C-EDL significantly outperforms state-of-the-art EDL variants and competitive baselines, achieving substantial reductions in coverage for OOD data (up to $\approx$55%) and adversarial data (up to $\approx$90%), across a range of datasets, attack types, and uncertainty metrics.
Authors: Yanfang Hou, Carlos Fern\'andez-Lor\'ia
Abstract: Causal forests estimate how treatment effects vary across individuals, guiding personalized interventions in areas like marketing, operations, and public policy. A standard modeling practice with this method is honest estimation: dividing the data into two samples, one to define subgroups and another to estimate treatment effects within them. This is intended to reduce overfitting and is the default in many software packages. But is it the right choice? In this paper, we show that honest estimation can reduce the accuracy of individual-level treatment effect estimates, especially when there are substantial differences in how individuals respond to treatment, and the data is rich enough to uncover those differences. The core issue is a classic bias-variance trade-off: honesty lowers the risk of overfitting but increases the risk of underfitting, because it limits the data available to detect and model heterogeneity. Across 7,500 benchmark datasets, we find that the cost of using honesty by default can be as high as requiring 25% more data to match the performance of models trained without it. We argue that honesty is best understood as a form of regularization and its use should be guided by application goals and empirical evaluation, not adopted reflexively.
Authors: Thomas M\"ollenhoff, Siddharth Swaroop, Finale Doshi-Velez, Mohammad Emtiyaz Khan
Abstract: We propose a new Bayesian approach to generalize the federated Alternating Direction Method of Multipliers (ADMM). We show that the solutions of variational-Bayesian (VB) objectives are associated with a duality structure that not only resembles the structure of ADMM's fixed-points but also generalizes it. For example, ADMM-like updates are recovered when the VB objective is optimized over the isotropic-Gaussian family, and new non-trivial extensions are obtained for other exponential-family distributions. These extensions include a Newton-like variant that converges in one step on quadratic objectives and an Adam-like variant that yields up to 7% accuracy boosts for deep heterogeneous cases. Our work opens a new Bayesian way to generalize ADMM and other primal-dual methods.
Authors: Jingyi Cui, Qi Zhang, Yifei Wang, Yisen Wang
Abstract: Sparse autoencoders (SAEs) have recently emerged as a powerful tool for interpreting the features learned by large language models (LLMs). By reconstructing features with sparsely activated networks, SAEs aim to recover complex superposed polysemantic features into interpretable monosemantic ones. Despite their wide applications, it remains unclear under what conditions SAEs can fully recover the ground truth monosemantic features from the superposed polysemantic ones. In this paper, we provide the first theoretical analysis with a closed-form solution for SAEs, revealing that they generally fail to fully recover the ground truth monosemantic features unless the ground truth features are extremely sparse. To improve the feature recovery of SAEs in general cases, we propose a reweighting strategy targeting at enhancing the reconstruction of the ground truth monosemantic features instead of the observed polysemantic ones. We further establish a theoretical weight selection principle for our proposed weighted SAE (WSAE). Experiments across multiple settings validate our theoretical findings and demonstrate that our WSAE significantly improves feature monosemanticity and interpretability.
Authors: Brandon M. Wood, Misko Dzamba, Xiang Fu, Meng Gao, Muhammed Shuaibi, Luis Barroso-Luque, Kareem Abdelmaqsoud, Vahe Gharakhanyan, John R. Kitchin, Daniel S. Levine, Kyle Michel, Anuroop Sriram, Taco Cohen, Abhishek Das, Ammar Rizvi, Sushree Jagriti Sahoo, Zachary W. Ulissi, C. Lawrence Zitnick
Abstract: The ability to quickly and accurately compute properties from atomic simulations is critical for advancing a large number of applications in chemistry and materials science including drug discovery, energy storage, and semiconductor manufacturing. To address this need, Meta FAIR presents a family of Universal Models for Atoms (UMA), designed to push the frontier of speed, accuracy, and generalization. UMA models are trained on half a billion unique 3D atomic structures (the largest training runs to date) by compiling data across multiple chemical domains, e.g. molecules, materials, and catalysts. We develop empirical scaling laws to help understand how to increase model capacity alongside dataset size to achieve the best accuracy. The UMA small and medium models utilize a novel architectural design we refer to as mixture of linear experts that enables increasing model capacity without sacrificing speed. For example, UMA-medium has 1.4B parameters but only ~50M active parameters per atomic structure. We evaluate UMA models on a diverse set of applications across multiple domains and find that, remarkably, a single model without any fine-tuning can perform similarly or better than specialized models. We are releasing the UMA code, weights, and associated data to accelerate computational workflows and enable the community to continue to build increasingly capable AI models.
Authors: Kenny Falk{\ae}r Olsen, Mads {\O}stergaard, Karl Ulb{\ae}k, S{\o}ren F{\o}ns Nielsen, Rasmus Malik H{\o}egh Lindrup, Bj{\o}rn Sand Jensen, Morten M{\o}rup
Abstract: In recent years, deep learning-based single-channel speech separation has improved considerably, in large part driven by increasingly compute- and parameter-efficient neural network architectures. Most such architectures are, however, designed with a fixed compute and parameter budget and consequently cannot scale to varying compute demands or resources, which limits their use in embedded and heterogeneous devices such as mobile phones and hearables. To enable such use-cases we design a neural network architecture for speech separation and enhancement capable of early-exit, and we propose an uncertainty-aware probabilistic framework to jointly model the clean speech signal and error variance which we use to derive probabilistic early-exit conditions in terms of desired signal-to-noise ratios. We evaluate our methods on both speech separation and enhancement tasks where we demonstrate that early-exit capabilities can be introduced without compromising reconstruction, and that when trained on variable-length audio our early-exit conditions are well-calibrated and lead to considerable compute savings when used to dynamically scale compute at test time while remaining directly interpretable.
Authors: Barak Gahtan, Alex M. Bronstein
Abstract: Learning from time series is fundamentally different from learning from i.i.d.\ data: temporal dependence can make long sequences effectively information-poor, yet standard evaluation protocols conflate sequence length with statistical information. We propose a dependence-aware evaluation methodology that controls for effective sample size $N_{\text{eff}}$ rather than raw length $N$, and provide end-to-end generalization guarantees for Temporal Convolutional Networks (TCNs) on $\beta$-mixing sequences. Our analysis combines a blocking/coupling reduction that extracts $B = \Theta(N/\log N)$ approximately independent anchors with an architecture-aware Rademacher bound for $\ell_{2,1}$-norm-controlled convolutional networks, yielding $O(\sqrt{D\log p / B})$ complexity scaling in depth $D$ and kernel size $p$. Empirically, we find that stronger temporal dependence can \emph{reduce} generalization gaps when comparisons control for $N_{\text{eff}}$ - a conclusion that reverses under standard fixed-$N$ evaluation, with observed rates of $N_{\text{eff}}^{-0.9}$ to $N_{\text{eff}}^{-1.2}$ substantially faster than the worst-case $O(N^{-1/2})$ mixing-based prediction. Our results suggest that dependence-aware evaluation should become standard practice in temporal deep learning benchmarks.
Authors: Laura L\"utzow, Michael Eichelbeck, Mykel J. Kochenderfer, Matthias Althoff
Abstract: Conformal prediction is a popular uncertainty quantification method that augments a base predictor to return sets of predictions with statistically valid coverage guarantees. However, current methods are often computationally expensive and data-intensive, as they require constructing an uncertainty model before calibration. Moreover, existing approaches typically represent the prediction sets with intervals, which limits their ability to capture dependencies in multi-dimensional outputs. We address these limitations by introducing zono-conformal prediction, a novel approach inspired by interval predictor models and reachset-conformant identification that constructs prediction zonotopes with assured coverage. By placing zonotopic uncertainty sets directly into the model of the base predictor, zono-conformal predictors can be identified via a single, data-efficient linear program. While we can apply zono-conformal prediction to arbitrary nonlinear base predictors, we focus on feed-forward neural networks in this work. Aside from regression tasks, we also construct optimal zono-conformal predictors in classification settings where the output of an uncertain predictor is a set of possible classes. We provide probabilistic coverage guarantees and present methods for detecting outliers in the identification data. In extensive numerical experiments, we show that zono-conformal predictors are less conservative than interval predictor models and standard conformal prediction methods, while achieving a similar coverage over the test data.
Authors: Aditri Paul, Archan Paul
Abstract: Autonomous planetary exploration demands real-time, high-fidelity environmental perception. Standard deep learning models, however, require far more memory and compute than space-qualified, radiation-hardened, power-optimized hardware can provide. This limitation creates a severe design bottleneck. Engineers struggle to deploy sophisticated detection architectures without overloading the strict power and memory limits of onboard computers of outer space planetary exploration platforms. In this foundational concept paper, we propose the Adaptive Quantized Planetary Crater Detection System (AQ-PCDSys) to resolve this bottleneck. We present an architectural blueprint integrating a Quantized Neural Network (QNN), refined through Quantization Aware Training (QAT), with an Adaptive Multi-Sensor Fusion (AMF) module and Multi-Scale Detection Heads. By forcing weights into low-precision integer arithmetic during the training and optimization phase, our framework strips away the floating-point overhead that typically overwhelms onboard computer's processors. The AMF module directly addresses sensor fragility. It dynamically selects and fuses Optical Imagery (OI) and Digital Elevation Models (DEMs) at the feature level to provide reliable sensor inputs during extreme cross-illuminations and sudden sensor dropouts. As a concept paper, this work establishes the technical and mathematical justifications for the architecture rather than presenting completed empirical ablation studies. We outline a rigorous Hardware-in-the-Loop (HITL) evaluation protocol for immediate future validation, paving the way for next-generation, hardware-aware space-mission software.
Authors: Geri Skenderi
Abstract: Graph Neural Networks (GNNs) have gathered increasing interest as learnable solvers of Boolean Satisfiability Problems (SATs), operating on graph representations of logical formulas. However, their performance degrades sharply on harder and more constrained instances, raising questions about architectural limitations. In this paper, we work towards a geometric explanation built upon graph Ricci Curvature (RC). We prove that bipartite graphs derived from random k-SAT formulas are inherently negatively curved, and that this curvature decreases with instance difficulty. Given that negative graph RC indicates local connectivity bottlenecks, we argue that GNN solvers are affected by oversquashing, a phenomenon where long-range dependencies become impossible to compress into fixed-length representations. We validate our claims empirically across different SAT benchmarks and confirm that curvature is both a strong indicator of problem complexity and can be used to predict generalization error. Finally, we connect our findings to the design of existing solvers and outline promising directions for future work.
Authors: Paulius Rauba, Mihaela van der Schaar
Abstract: Large neural networks are typically trained for a fixed computational budget, creating a rigid trade-off between performance and efficiency that is ill-suited for deployment in resource-constrained or dynamic environments. Existing approaches to this problem present a difficult choice: training a discrete collection of specialist models is computationally prohibitive, while dynamic methods like slimmable networks often lack the flexibility to be applied to large, pre-trained foundation models. In this work, we propose Nested Subspace Networks (NSNs), a novel architectural paradigm that enables a single model to be dynamically and granularly adjusted across a continuous spectrum of compute budgets at inference time. The core of our approach is to re-parameterize linear layers to satisfy a nested subspace property, such that the function computed at a given rank is a strict subspace of the function at any higher rank. We show that this entire hierarchy of models can be optimized jointly via an uncertainty-aware objective that learns to balance the contributions of different ranks based on their intrinsic difficulty. We demonstrate empirically that NSNs can be surgically applied to pre-trained LLMs and unlock a smooth and predictable compute-performance frontier. For example, a single NSN-adapted model can achieve a 50% reduction in inference FLOPs with only a 5 percentage point loss in accuracy. Our findings establish NSNs as a powerful framework for creating the next generation of adaptive foundation models.
Authors: Asela Hevapathige
Abstract: Graph Neural Networks (GNNs) have become vital in applications like document classification in citation networks, epidemic forecasting, viral marketing, user recommendation in social networks, and network monitoring. However, their deployment faces three key challenges: feature oversmoothing in deep architectures, poor handling of heterogeneous relationships, and monolithic feature aggregation. To address these, we introduce AxelGNN, a novel architecture based on Axelrod's cultural dissemination model that incorporates three key innovations: (1) similarity-gated interactions that adaptively promote convergence or divergence based on feature similarity, (2) segment-wise feature copying that enables fine-grained aggregation of semantic feature groups rather than monolithic vectors, and (3) global polarization that maintains multiple distinct representation clusters to prevent oversmoothing. This model demonstrates empirically the capability to handle both homophilic and heterophilic graphs within a single architecture, without requiring specialized model selection based on graph characteristics. Our experiments demonstrate that AxelGNN achieves competitive or superior performance compared to existing methods in node classification and influence estimation while maintaining computational efficiency.
Authors: Ruiyu Wang, Shizhao Sun, Weijian Ma, Jiang Bian
Abstract: Computer-Aided Design (CAD) is a foundational component of industrial prototyping, where models are defined not by raw coordinates but by construction sequences such as sketches and extrusions. This sequential structure enables both efficient prototype initialization and subsequent editing. Text-guided CAD prototyping, which unifies Text-to-CAD generation and CAD editing, has the potential to streamline the entire design pipeline. However, prior work has not explored this setting, largely because standard large language model (LLM) tokenizers decompose CAD sequences into natural-language word pieces, failing to capture primitive-level CAD semantics and hindering attention modules from modeling geometric structure. We conjecture that a multimodal tokenization strategy, aligned with CAD's primitive and structural nature, can provide more effective representations. To this end, we propose CAD-Tokenizer, a framework that represents CAD data with modality-specific tokens using a sequence-based VQ-VAE with primitive-level pooling and constrained decoding. This design produces compact, primitive-aware representations that align with CAD's structural nature. Applied to unified text-guided CAD prototyping, CAD-Tokenizer significantly improves instruction following and generation quality, achieving better quantitative and qualitative performance over both general-purpose LLMs and task-specific baselines.
Authors: George Yakushev, Alina Shutova, Ivan Rubachev, Natalia Bereberdina, Renat Sergazinov, Artem Babenko
Abstract: Tabular foundation models are becoming increasingly popular for low-resource tabular problems. These models compensate for small training datasets by pretraining on large volumes of data. The prior knowledge obtained via pretraining provides exceptional performance, but the resulting model becomes a black box that is difficult to interpret and costly to run inference on. In this work, we explore an alternative strategy that is both more lightweight and controllable: using reasoning-capable LLMs to induce decision trees for small tabular datasets in an agentic setup. We design a minimal set of tools for constructing, analyzing, and manipulating decision trees. Using these tools, an LLM agent combines its prior knowledge with the user-specified constraints and learning from data to create lightweight decision trees. We show that a single decision tree constructed via the agentic loop can be competitive with state-of-the-art black-box models on tabular benchmarks, while also providing a human-readable reasoning trace that can be checked for biases and data leaks. Additionally, we show the model can incorporate fairness and monotonicity constraints.
Authors: Peng Xu, Chun-Ying Hou, Xiaohui Chen, Richard Y. Zhang
Abstract: Clustering is a hard discrete optimization problem. Nonconvex approaches such as low-rank semidefinite programming (SDP) have recently demonstrated promising statistical and local algorithmic guarantees for cluster recovery. Due to the combinatorial structure of the $K$-means clustering problem, current relaxation algorithms struggle to balance their constraint feasibility and objective optimality, presenting tremendous challenges in computing the second-order critical points with rigorous guarantees. In this paper, we provide a new formulation of the $K$-means problem as a smooth unconstrained optimization over a submanifold and characterize its Riemannian structures to allow it to be solved using a second-order cubic-regularized Riemannian Newton algorithm. By factorizing the $K$-means manifold into a product manifold, we show how each Newton subproblem can be solved in linear time. Our numerical experiments show that the proposed method converges significantly faster than the state-of-the-art first-order nonnegative low-rank factorization method, while achieving similarly optimal statistical accuracy.
Authors: Nakyeong Yang, Dong-Kyum Kim, Jea Kwon, Minsung Kim, Kyomin Jung, Meeyoung Cha
Abstract: Large language models trained on web-scale data can memorize private or sensitive knowledge, raising significant privacy risks. Although some unlearning methods mitigate these risks, they remain vulnerable to "relearning" during subsequent training, allowing a substantial portion of forgotten knowledge to resurface. In this paper, we show that widely used unlearning methods cause shallow alignment: instead of faithfully erasing target knowledge, they generate spurious unlearning neurons that amplify negative influence to hide it. To overcome this limitation, we introduce Ssiuu, a new class of unlearning methods that employs attribution-guided regularization to prevent spurious negative influence and faithfully remove target knowledge. Experimental results confirm that our method reliably erases target knowledge and outperforms strong baselines across two practical retraining scenarios: (1) adversarial injection of private data, and (2) benign attack using an instruction-following benchmark. Our findings highlight the necessity of robust and faithful unlearning methods for safe deployment of language models.
Authors: Guannan Lai, Da-Wei Zhou, Xin Yang, Han-Jia Ye
Abstract: Class Incremental Learning (CIL) requires models to continuously learn new classes without forgetting previously learned ones, while maintaining stable performance across all possible class sequences. In real-world settings, the order in which classes arrive is diverse and unpredictable, and model performance can vary substantially across different sequences. Yet mainstream evaluation protocols calculate mean and variance from only a small set of randomly sampled sequences. Our theoretical analysis and empirical results demonstrate that this sampling strategy fails to capture the full performance range, resulting in biased mean estimates and a severe underestimation of the true variance in the performance distribution. We therefore contend that a robust CIL evaluation protocol should accurately characterize and estimate the entire performance distribution. To this end, we introduce the concept of extreme sequences and provide theoretical justification for their crucial role in the reliable evaluation of CIL. Moreover, we observe a consistent positive correlation between inter-task similarity and model performance, a relation that can be leveraged to guide the search for extreme sequences. Building on these insights, we propose EDGE (Extreme case-based Distribution & Generalization Evaluation), an evaluation protocol that adaptively identifies and samples extreme class sequences using inter-task similarity, offering a closer approximation of the ground-truth performance distribution. Extensive experiments demonstrate that EDGE effectively captures performance extremes and yields more accurate estimates of distributional boundaries, providing actionable insights for model selection and robustness checking. Our code is available at https://github.com/AIGNLAI/EDGE.
Authors: Fred Zhangzhi Peng, Zachary Bezemek, Jarrid Rector-Brooks, Shuibai Zhang, Anru R. Zhang, Michael Bronstein, Avishek Joey Bose, Alexander Tong
Abstract: Diffusion language models have emerged as a powerful alternative to autoregressive models, enabling fast inference through more flexible and parallel generation paths. This flexibility of sampling is unlocked by new engineered sampling strategies, or planners, that select more favorable generation paths by iteratively planning - versus uniformly at random - where to denoise along the sequence. However, by modifying the reverse paths via planning, planners create an irrevocable mismatch between the uniformly random denoising paths assumed during training and planning-based inference. In this paper, we systematically investigate the mismatch of discrete diffusion training and inference under planning and theoretically prove that the standard discrete diffusion training evidence lower bound (ELBO) does not accurately describe a denoiser that uses a non-uniform planner. To address this gap, we derive a new planned evidence lower bound (P-ELBO) that incorporates planner-based reverse dynamics directly into the training objective. Using the P-ELBO, we introduce Planner Aware Path Learning (PAPL), a novel training scheme that aligns training and inference under a planned denoiser. PAPL is implemented as a simple yet effective modification to the standard masked discrete diffusion loss, making it widely applicable and easy to adopt. Empirically, we show PAPL delivers consistent gains across domains, including a 40% relative improvement in protein sequences, improved text generation with up to a 4x relative MAUVE gain, and 23% relative improvement in code generation HumanEval pass@10. Code is available at https://github.com/pengzhangzhi/PAPL.
Authors: Jan-Philipp von Bassewitz, Adeel Pervez, Marco Fumero, Matthew Robinson, Theofanis Karaletsos, Francesco Locatello
Abstract: Modeling the dynamics of cellular differentiation is fundamental to advancing the understanding and treatment of diseases associated with this process, such as cancer. With the rapid growth of single-cell datasets, this has also become a particularly promising and active domain for machine learning. Current state-of-the-art models, however, rely on computationally expensive optimal transport preprocessing and multi-stage training, while also not discovering explicit gene interactions. To address these challenges we propose Cell-Mechanistic Neural Networks (Cell-MNN), an encoder-decoder architecture whose latent representation is a locally linearized ODE governing the dynamics of cellular evolution from stem to tissue cells. Cell-MNN is fully end-to-end (besides a standard PCA pre-processing) and its ODE representation explicitly learns biologically consistent and interpretable gene interactions. Empirically, we show that Cell-MNN achieves competitive performance on single-cell benchmarks, surpasses state-of-the-art baselines in scaling to larger datasets and joint training across multiple datasets, while also learning interpretable gene interactions that we validate against the TRRUST database of gene interactions.
Authors: Egor Cherepanov, Alexey K. Kovalev, Aleksandr I. Panov
Abstract: Real-world robotic agents must act under partial observability and long horizons, where key cues may appear long before they affect decision making. However, most modern approaches rely solely on instantaneous information, without incorporating insights from the past. Standard recurrent or transformer models struggle with retaining and leveraging long-term dependencies: context windows truncate history, while naive memory extensions fail under scale and sparsity. We propose ELMUR (External Layer Memory with Update/Rewrite), a transformer architecture with structured external memory. Each layer maintains memory embeddings, interacts with them via bidirectional cross-attention, and updates them through an Least Recently Used (LRU) memory module using replacement or convex blending. ELMUR extends effective horizons up to 100,000 times beyond the attention window and achieves a 100% success rate on a synthetic T-Maze task with corridors up to one million steps. In POPGym, it outperforms baselines on more than half of the tasks. On MIKASA-Robo sparse-reward manipulation tasks with visual observations, it nearly doubles the performance of strong baselines, achieving the best success rate on 21 out of 23 tasks and improving the aggregate success rate across all tasks by about 70% over the previous best baseline. These results demonstrate that structured, layer-local external memory offers a simple and scalable approach to decision making under partial observability. Code and project page: https://elmur-paper.github.io/.
Authors: Perry Dong, Chongyi Zheng, Chelsea Finn, Dorsa Sadigh, Benjamin Eysenbach
Abstract: While most reinforcement learning methods today flatten the distribution of future returns to a single scalar value, distributional RL methods exploit the return distribution to provide stronger learning signals and to enable applications in exploration and safe RL. While the predominant method for estimating the return distribution is by modeling it as a categorical distribution over discrete bins or estimating a finite number of quantiles, such approaches leave unanswered questions about the fine-grained structure of the return distribution and about how to distinguish states with high return uncertainty for decision-making. The key idea in this paper is to use modern, flexible flow-based models to estimate the full future return distributions and identify those states with high return variance. We do so by formulating a new flow-matching objective that generates probability density paths satisfying the distributional Bellman equation. Building upon the learned flow models, we estimate the return uncertainty of distinct states using a new flow derivative ODE. We additionally use this uncertainty information to prioritize learning a more accurate return estimation on certain transitions. We compare our method (Value Flows) with prior methods in the offline and online-to-online settings. Experiments on $37$ state-based and $25$ image-based benchmark tasks demonstrate that Value Flows achieves a $1.3\times$ improvement on average in success rates. Website: https://pd-perry.github.io/value-flows Code: https://github.com/chongyi-zheng/value-flows
URLs: https://pd-perry.github.io/value-flows, https://github.com/chongyi-zheng/value-flows
Authors: Elena Golimblevskaia, Aakriti Jain, Bruno Puri, Ammar Ibrahim, Wojciech Samek, Sebastian Lapuschkin
Abstract: The fields of explainable AI and mechanistic interpretability aim to uncover the internal structure of neural networks, with circuit discovery as a central tool for understanding model computations. Existing approaches, however, rely on manual inspection and remain limited to toy tasks. Automated interpretability offers scalability by analyzing isolated features and their activations, but it often misses interactions between features and depends strongly on external LLMs and dataset quality. Transcoders have recently made it possible to separate feature attributions into input-dependent and input-invariant components, providing a foundation for more systematic circuit analysis. Building on this, we propose WeightLens and CircuitLens, two complementary methods that go beyond activation-based analysis. WeightLens interprets features directly from their learned weights, removing the need for explainer models or datasets while matching or exceeding the performance of existing methods on context-independent features. CircuitLens captures how feature activations arise from interactions between components, revealing circuit-level dynamics that activation-only approaches cannot identify. Together, these methods increase interpretability robustness and enhance scalable mechanistic analysis of circuits while maintaining efficiency and quality.
Authors: Denis Janiak, Jakub Binkowski, Tomasz Kajdanowicz
Abstract: Out-of-distribution (OOD) detection is critical for reliable deployment of vision models. Mahalanobis-based detectors remain strong baselines, yet their performance varies widely across modern pretrained representations, and it is unclear which properties of a feature space cause these methods to succeed or fail. We conduct a large-scale study across diverse foundation-model backbones and Mahalanobis variants. First, we show that Mahalanobis-style OOD detection is not universally reliable: performance is highly representation-dependent and can shift substantially with pretraining data and fine-tuning regimes. Second, we link this variability to in-distribution geometry and identify a two-term ID summary that consistently tracks Mahalanobis OOD behavior across detectors: within-class spectral structure and local intrinsic dimensionality. Finally, we treat normalization as a geometric control mechanism and introduce radially scaled $\ell_2$ normalization, $\phi_\beta(z)=z/\|z\|^\beta$, which preserves directions while contracting or expanding feature radii. Varying $\beta$ changes the radii while preserving directions, so the same quadratic detector sees a different ID geometry. We choose $\beta$ from ID-only geometry signals and typically outperform fixed normalization baselines.
Authors: Donghyeok Shin, Yeongmin Kim, Suhyeon Jo, Byeonghu Na, Il-Chul Moon
Abstract: Autoregressive large language models (LLMs) have achieved remarkable improvement across many tasks but incur high computational and memory costs. Knowledge distillation (KD) mitigates this issue by transferring knowledge from a large teacher to a smaller student through distributional alignment. Previous studies have proposed various discrepancy metrics, but the capacity gap and training instability caused by near-zero probabilities, stemming from the high-dimensional output of LLMs, remain fundamental limitations. To overcome these challenges, several approaches implicitly or explicitly incorporating assistant distribution have recently been proposed. However, the past proposals of assistant distributions have been a fragmented approach without a systematic investigation of the interpolation path and the divergence. This paper proposes $\alpha$-mixture assistant distribution, a novel generalized family of assistant distributions, and $\alpha$-mixture distillation, coined AMiD, a unified framework for KD using the assistant distribution. The $\alpha$-mixture assistant distribution provides a continuous extension of the assistant distribution by introducing a new distribution design variable $\alpha$, which has been fixed in all previous approaches. Furthermore, AMiD generalizes the family of divergences used with the assistant distributions based on optimality, which has also been restricted in previous works. Through extensive experiments, we demonstrate that AMiD offers superior performance and training stability by leveraging a broader and theoretically grounded assistant distribution space. We release the code at \href{https://github.com/aailab-kaist/AMiD}{this https URL}.
Authors: Emmanuelle Claeys, Elena Kerjean, Jean-Michel Loubes
Abstract: This work introduces MAYA, a sequential imitation learning model based on multi-armed bandits, designed to reproduce and predict individual bees' decisions in contextualized foraging tasks. The model accounts for bees' limited memory through a temporal window $\tau$, whose optimal value is around 7 trials, with a slight dependence on weather conditions. Experimental results on real, simulated, and complementary (mice) datasets show that MAYA (particularly with the Wasserstein distance) outperforms imitation baselines and classical statistical models, while providing interpretability of individual learning strategies and enabling the inference of realistic trajectories for prospective ecological applications.
Authors: Beomhan Baek, Minhak Song, Chulhee Yun
Abstract: Adam [Kingma & Ba, 2015] is the de facto optimizer in deep learning, yet its theoretical understanding remains limited. Prior analyses show that Adam favors solutions aligned with $\ell_\infty$-geometry, but these results are restricted to the full-batch regime. In this work, we study the implicit bias of incremental Adam (using one sample per step) for logistic regression on linearly separable data, and show that its bias can deviate from the full-batch behavior. As an extreme example, we construct datasets on which incremental Adam provably converges to the $\ell_2$-max-margin classifier, in contrast to the $\ell_\infty$-max-margin bias of full-batch Adam. For general datasets, we characterize its bias using a proxy algorithm for the $\beta_2 \to 1$ limit. This proxy maximizes a data-adaptive Mahalanobis-norm margin, whose associated covariance matrix is determined by a data-dependent dual fixed-point formulation. We further present concrete datasets where this bias reduces to the standard $\ell_2$- and $\ell_\infty$-max-margin classifiers. As a counterpoint, we prove that Signum [Bernstein et al., 2018] converges to the $\ell_\infty$-max-margin classifier for any batch size. Overall, our results highlight that the implicit bias of Adam crucially depends on both the batching scheme and the dataset, while Signum remains invariant.
Authors: \'Alvaro V\'azquez Rodr\'iguez, Manuel Fern\'andez-Veiga, Carlos Giraldo-Rodr\'iguez
Abstract: The placement of Cloud-Native Network Functions across the Cloud-Continuum represents a core challenge in the orchestration of current 5G and future 6G networks. The process entails the implementation of interdependent computing tasks, which are structured as Service Function Chains, over distributed cloud infrastructures. This is achieved while satisfying strict resource, bandwidth, connectivity, and end-to-end latency constraints. It is widely acknowledged that classical approaches, including mixed-integer (non)linear programming, heuristics, and reinforcement learning, face practical limitations in terms of scalability, robust constraint handling, and generalization to unseen network conditions. In this study, a diffusion-based theoretical and algorithmic framework for CNF placement is proposed, based on Denoising Diffusion Probabilistic Models. The placement process is reconceptualised as a conditional graph-to-assignment generation task. Each scenario is encoded as a heterogeneous graph, capturing infrastructure and service-chain structure. A Graph Neural Network denoiser is trained to iteratively refine noisy CNF-to-cloud assignment matrices. In order to bias the generation process towards valid deployments, the model incorporates constraint-aware penalties during training. At inference, a multitude of candidate placements are sampled, and the best suboptimal, feasible solution is selected. Extensive experimentation on diverse topologies, incorporating out-of-distribution evaluations with larger instances and shifted constraint regimes, demonstrates that the proposed approach consistently generates feasible solutions with considerably accelerated inference compared to other solvers. The findings of this study demonstrate the potential of diffusion-based generative modelling as a scalable tool for constrained network placement and embedding in cloud-continuum orchestration.
Authors: Xiyuan Wei, Chih-Jen Lin, Tianbao Yang
Abstract: Accurately estimating the normalization term (also known as the partition function) in the contrastive loss is a central challenge for training Contrastive Language-Image Pre-training (CLIP) models. Conventional methods rely on large batches for approximation, demanding substantial computational resources. To mitigate this issue, prior works introduced per-sample normalizer estimators, which are updated at each epoch in a blockwise coordinate manner to keep track of updated encoders. However, this scheme incurs optimization error that scales with the ratio of dataset size to batch size, limiting effectiveness for large datasets or small batches. To overcome this limitation, we propose NeuCLIP, a novel and elegant optimization framework based on two key ideas: (i) $\textbf{reformulating}$ the contrastive loss for each sample $\textbf{via convex analysis}$ into a minimization problem with an auxiliary variable representing its log-normalizer; and (ii) $\textbf{transforming}$ the resulting minimization over $n$ auxiliary variables (where $n$ is the dataset size) via $\textbf{variational analysis}$ into the minimization over a compact neural network that predicts the log-normalizers. We design an alternating optimization algorithm that jointly trains the CLIP model and the auxiliary network. By employing a tailored architecture and acceleration techniques for the auxiliary network, NeuCLIP achieves more accurate normalizer estimation, leading to improved performance compared with previous methods. Extensive experiments on large-scale CLIP training, spanning datasets from millions to billions of samples, demonstrate that NeuCLIP outperforms previous methods. Code is available at https://github.com/Optimization-AI/NeuCLIP.
Authors: Leonardo Pepino, Pablo Riera, Juan Kamienkowski, Luciana Ferrer
Abstract: Artificial neural networks are increasingly powerful models of brain computation, yet it remains unclear whether improving their performance in downstream tasks also makes their internal representations more similar to brain signals. To address this question in the auditory domain, we quantified the alignment between the internal representations of 36 different audio models and brain activity from two independent fMRI datasets. Using voxel-wise and component-wise regression, and representation similarity analysis, we found that recent self-supervised audio models with strong performance in diverse downstream tasks are better predictors of auditory cortex activity than previously studied models. To assess the quality of the audio representations, we evaluated these models in 6 auditory tasks from the HEAREval benchmark, spanning music, speech, and environmental sounds. This revealed strong positive Pearson correlations (r > 0.8) between a model's overall task performance and its alignment with brain representations. Finally, we analyzed the evolution of the similarity between audio and brain representations during the pretraining of EnCodecMAE, a recent audio representation model. We discovered that brain similarity increases progressively and emerges early during pretraining, despite the model not being explicitly optimized for this objective. This suggests that brain-like representations can be an emergent byproduct of learning to reconstruct missing information from naturalistic audio data.
Authors: Yuhao Xu, Xiaoda Wang, Jiaying Lu, Sirui Ding, Defu Cao, Huaxiu Yao, Yan Liu, Xiao Hu, Carl Yang
Abstract: Electrocardiogram (ECG) analysis plays a vital role in the early detection, monitoring, and management of various cardiovascular conditions. While existing models have achieved notable success in ECG interpretation, they fail to leverage the interrelated nature of various cardiac abnormalities. Conversely, developing a specific model capable of extracting all relevant features for multiple ECG tasks remains a significant challenge. Large-scale foundation models, though powerful, are not typically pretrained on ECG data, making full re-training or fine-tuning computationally expensive. To address these challenges, we propose EnECG(Mixture of Experts-based Ensemble Learning for ECG Multi-tasks), an ensemble-based framework that integrates multiple specialized foundation models, each excelling in different aspects of ECG interpretation. Instead of relying on a single model or single task, EnECG leverages the strengths of multiple specialized models to tackle a variety of ECG-based tasks. To mitigate the high computational cost of full re-training or fine-tuning, we introduce a lightweight adaptation strategy: attaching dedicated output layers to each foundation model and applying Low-Rank Adaptation (LoRA) only to these newly added parameters. We then adopt a Mixture of Experts (MoE) mechanism to learn ensemble weights, effectively combining the complementary expertise of individual models. Our experimental results demonstrate that by minimizing the scope of fine-tuning, EnECG can help reduce computational and memory costs while maintaining the strong representational power of foundation models. This framework not only enhances feature extraction and predictive performance but also ensures practical efficiency for real-world clinical applications. The code is available at https://github.com/yuhaoxu99/EnECG.git.
Authors: Saeed Hedayatian, Stefanos Nikolaidis
Abstract: Quality-Diversity (QD) algorithms constitute a branch of optimization that is concerned with discovering a diverse and high-quality set of solutions to an optimization problem. Current QD methods commonly maintain diversity by dividing the behavior space into discrete regions, ensuring that solutions are distributed across different parts of the space. The QD problem is then solved by searching for the best solution in each region. This approach to QD optimization poses challenges in large solution spaces, where storing many solutions is impractical, and in high-dimensional behavior spaces, where discretization becomes ineffective due to the curse of dimensionality. We present an alternative framing of the QD problem, called \emph{Soft QD}, that sidesteps the need for discretizations. We validate this formulation by demonstrating its desirable properties, such as monotonicity, and by relating its limiting behavior to the widely used QD Score metric. Furthermore, we leverage it to derive a novel differentiable QD algorithm, \emph{Soft QD Using Approximated Diversity (SQUAD)}, and demonstrate empirically that it is competitive with current state of the art methods on standard benchmarks while offering better scalability to higher dimensional problems. Source code is available at https://github.com/conflictednerd/soft-qd.
Authors: Zhuoqian Yang, Mathieu Salzmann, Sabine S\"usstrunk
Abstract: In this work, we investigate the potential of weights to serve as effective representations, focusing on neural fields. Our key insight is that constraining the optimization space through a pre-trained base model and low-rank adaptation (LoRA) can induce structure in weight space. Across reconstruction, generation, and analysis tasks on 2D and 3D data, we find that multiplicative LoRA weights achieve high representation quality while exhibiting distinctiveness and semantic structure. When used with latent diffusion models, multiplicative LoRA weights enable higher-quality generation than existing weight-space methods.
Authors: Sofiya Zaichyk
Abstract: Statistical learning under distributional drift remains poorly characterized, especially in closed-loop settings where learning alters the data-generating law. We introduce an intrinsic drift budget $C_T$ that quantifies the cumulative information-geometric motion of the data distribution along the realized learner-environment trajectory, measured in Fisher-Rao distance (the Riemannian metric induced by Fisher information on a statistical manifold of data-generating laws). The budget decomposes this motion into exogenous change (environmental drift that would occur without intervention) and policy-sensitive feedback contributions (drift induced by the learner's actions through the closed loop). This yields a rate-based characterization: in prequential reproducibility bounds -- where performance on the realized stream is used to predict one-step-ahead performance under the next distribution -- the drift contribution enters through the average drift rate $C_T/T$, i.e., normalized cumulative Fisher-Rao motion per time step. We prove a drift--feedback bound of order $T^{-1/2} + C_T/T$ (up to a controlled second-order remainder) and establish a matching minimax lower bound on a canonical subclass, showing this dependence is tight up to constants. Consequently, when $C_T/T$ is nonnegligible, one-step-ahead reproducibility admits an irreducible accuracy floor of the same order. Finally, the framework places exogenous drift, adaptive data analysis, and performative feedback within a common geometric account of distributional motion.
Authors: Shao-Ting Chiu, Ioannis G. Kevrekidis, Ulisses Braga-Neto
Abstract: We introduce BumpNet, a sparse multilayer perceptron (MLP) framework for PDE numerical solution and operator learning. BumpNet is based on basis function expansion, which makes them superficially similar to radial-basis function (RBF) networks. However, the basis functions in BumpNet are constructed from ordinary sigmoid activation functions in a sparse multi-layer framework. This makes BumpNet a MLP, not a RBF neural network, enabling the efficient use of modern training techniques optimized for MLPs. All parameters of the basis functions, including shape, location, and amplitude, are fully trainable. Model parsimony is encouraged through a basis function pruning scheme. BumpNet is a general meshless framework that can be combined with existing neural architectures for learning PDE solutions: here, we propose Bump-PINNs (BumpNet with physics-informed neural networks) for solving general PDEs; Bump-EDNN (BumpNet with evolutionary deep neural networks) to solve time-evolution PDEs; and Bump-DeepONet (BumpNet with deep operator networks) for PDE operator learning. We prove that BumpNets and Bump-DeepONets are universal approximators of continuous functions and continuous operators, respectively. Bump-PINNs are trained using the same collocation-based approach used by PINNs; Bump-EDNN uses a BumpNet only in the spatial domain and uses EDNNs to advance the solution in time; while Bump-DeepONets employ a BumpNet regression network as the trunk network of a DeepONet. Extensive numerical experiments demonstrate the efficiency and accuracy of BumpNets.
Authors: Debamita Ghosh, George K. Atia, Yue Wang
Abstract: In many real-world settings, reinforcement learning systems suffer performance degradation when the environment encountered at deployment differs from that observed during training. Distributionally robust reinforcement learning (DR-RL) mitigates this issue by seeking policies that maximize performance under the most adverse transition dynamics within a prescribed uncertainty set. Most existing DR-RL approaches, however, rely on strong data availability assumptions, such as access to a generative model or large offline datasets, and are largely restricted to tabular settings. In this work, we propose a fully online DR-RL algorithm with general function approximation that learns robust policies solely through interaction, without requiring prior knowledge or pre-collected data. Our approach is based on a dual-driven fitted robust Bellman procedure that simultaneously estimates the value function and the corresponding worst-case backup operator. We establish regret guarantees for online DR-RL characterized by an intrinsic complexity notion, the robust Bellman-Eluder dimension, covering a broad class of phi-divergence uncertainty sets. The resulting regret bounds are sublinear, do not scale with the size of the state or action spaces, and specialize to tight rates in structured problem classes, demonstrating the practicality and scalability of our framework.
Authors: Soumen Garai, Danilo Pau, Suman Samui
Abstract: Voice-triggered interfaces rely on keyword spotting (KWS) models that must operate continuously under strict memory, latency, and energy constraints on microcontroller-class hardware. Designing such models therefore requires not only high recognition accuracy but also predictable deployability within limited Flash and SRAM budgets. Bayesian optimization is known to handle accuracy-efficiency trade-offs effectively in multi-objective optimization; however, it is highly sensitive to initialization, particularly in the low-budget regimes of TinyML model optimization. We propose Objective-Aware Surrogate Initialization (OASI), which seeds surrogate optimization with Pareto-biased solutions generated via multi-objective simulated annealing. Unlike space-filling or heuristic warm-start methods, OASI initializes the surrogate conditioning process with a bias toward feasible accuracy-memory trade-offs, thus avoiding SRAM-violating configurations. OASI improves hypervolume and convergence robustness over Latin hypercube, Sobol, and random initializations under the same budget constraints on a TinyML KWS problem. Hardware-in-the-loop experiments on STM32 microcontrollers verify the existence of deployable and memory-feasible models without incurring extra optimization costs.
Authors: Brian Lu, Hongyu Zhao, Shuo Sun, Hao Peng, Rui Ding, Hongyuan Mei
Abstract: Reinforcement learning with verifiable rewards (RLVR) has emerged as a promising paradigm for post-training large language models (LLMs) on complex reasoning tasks. Yet, the conditions under which RLVR yields robust generalization remain underexplored. This paper provides an empirical study of RLVR generalization in the setting of probabilistic inference over causal graphical models. This setting offers two natural axes along which to examine generalization: (i) the level of the probabilistic query -- associational, interventional, or counterfactual -- and (ii) the structural complexity of the query, measured by the size of its relevant subgraph. We construct a dataset of causal graphs and queries spanning these difficulty axes and fine-tune Qwen-2.5-Instruct models using RLVR or supervised fine-tuning (SFT). We vary both the model scale (3B-32B) and the query level included in training. We find that RLVR yields stronger within-level and across-level generalization than SFT, but only for specific combinations of model size and training query level. Further analysis shows that RLVR's effectiveness depends on the model's initial reasoning competence. With sufficient initial competence, RLVR improves an LLM's marginalization strategy and reduces errors in intermediate probability calculations, producing substantial accuracy gains, particularly on more complex queries. These results show that RLVR can improve specific causal reasoning subskills, with its benefits emerging only when the model has sufficient initial competence. Our code and data is available at https://github.com/zhichul/rlcausal.
Authors: Yinkai Wang, Yan Zhou Chen, Xiaohui Chen, Li-Ping Liu, Soha Hassoun
Abstract: Small-molecule identification from tandem mass spectrometry (MS/MS) remains a bottleneck in untargeted settings where spectral libraries are incomplete. While deep learning offers a solution, current approaches typically fall into two extremes: explicit generative models that construct molecular graphs atom-by-atom, or joint contrastive models that learn cross-modal subspaces from scratch. We introduce SpecBridge, a novel implicit alignment framework that treats structure identification as a geometric alignment problem. SpecBridge fine-tunes a self-supervised spectral encoder (DreaMS) to project directly into the latent space of a frozen molecular foundation model (ChemBERTa), and then performs retrieval by cosine similarity to a fixed bank of precomputed molecular embeddings. Across MassSpecGym, Spectraverse, and MSnLib benchmarks, SpecBridge improves top-1 retrieval accuracy by roughly 20-25% relative to strong neural baselines, while keeping the number of trainable parameters small. These results suggest that aligning to frozen foundation models is a practical, stable alternative to designing new architectures from scratch. The code for SpecBridge is released at https://github.com/HassounLab/SpecBridge.
Authors: Manooshree Patel, Rayna Bhattacharyya, Thomas Lu, Arnav Mehta, Niels Voss, Narges Norouzi, Gireeja Ranade
Abstract: This paper considers the development of an AI-based provably-correct mathematical proof tutor. While Large Language Models (LLMs) allow seamless communication in natural language, they are error prone. Theorem provers such as Lean allow for provable-correctness, but these are hard for students to learn. We present a proof-of-concept system (LeanTutor) by combining the complementary strengths of LLMs and theorem provers. LeanTutor is composed of three modules: (i) an autoformalizer/proof-checker, (ii) a next-step generator, and (iii) a natural language feedback generator. To evaluate the system, we introduce PeanoBench, a dataset of 371 Peano Arithmetic proofs in human-written natural language and formal language, derived from the Natural Numbers Game.
Authors: Rong Fu, Chunlei Meng, Youjin Wang, Haoyu Zhao, Jiaxuan Lu, Kun Liu, JiaBao Dou, Simon James Fong
Abstract: The pursuit of optimal trade-offs in high-dimensional search spaces under stringent computational constraints poses a fundamental challenge for contemporary multi-objective optimization. We develop NeuroPareto, a cohesive architecture that integrates rank-centric filtering, uncertainty disentanglement, and history-conditioned acquisition strategies to navigate complex objective landscapes. A calibrated Bayesian classifier estimates epistemic uncertainty across non-domination tiers, enabling rapid generation of high-quality candidates with minimal evaluation cost. Deep Gaussian Process surrogates further separate predictive uncertainty into reducible and irreducible components, providing refined predictive means and risk-aware signals for downstream selection. A lightweight acquisition network, trained online from historical hypervolume improvements, guides expensive evaluations toward regions balancing convergence and diversity. With hierarchical screening and amortized surrogate updates, the method maintains accuracy while keeping computational overhead low. Experiments on DTLZ and ZDT suites and a subsurface energy extraction task show that NeuroPareto consistently outperforms classifier-enhanced and surrogate-assisted baselines in Pareto proximity and hypervolume.
Authors: Pratyush Uppuluri, Shilpa Noushad, Sajan Kumar
Abstract: This work presents a consensus-based Bayesian framework to detect malicious user behavior in enterprise directory access graphs. By modeling directories as topics and users as agents within a multi-level interaction graph, we simulate access evolution using influence-weighted opinion dynamics. Logical dependencies between users are encoded in dynamic matrices Ci, and directory similarity is captured via a shared influence matrix W. Malicious behavior is injected as cross-component logical perturbations that violate structural norms of strongly connected components(SCCs). We apply theoretical guarantees from opinion dynamics literature to determine topic convergence and detect anomaly via scaled opinion variance. To quantify uncertainty, we introduce a Bayesian anomaly scoring mechanism that evolves over time, using both static and online priors. Simulations over synthetic access graphs validate our method, demonstrating its sensitivity to logical inconsistencies and robustness under dynamic perturbation.
Authors: Dahai Yu, Lin Jiang, Rongchao Xu, Guang Wang
Abstract: Healthcare facility visit prediction is essential for optimizing healthcare resource allocation and informing public health policy. Despite advanced machine learning methods being employed for better prediction performance, existing works usually formulate this task as a time-series forecasting problem without considering the intrinsic spatial dependencies of different types of healthcare facilities, and they also fail to provide reliable predictions under abnormal situations such as public emergencies. To advance existing research, we propose HealthMamba, an uncertainty-aware spatiotemporal framework for accurate and reliable healthcare facility visit prediction. HealthMamba comprises three key components: (i) a Unified Spatiotemporal Context Encoder that fuses heterogeneous static and dynamic information, (ii) a novel Graph State Space Model called GraphMamba for hierarchical spatiotemporal modeling, and (iii) a comprehensive uncertainty quantification module integrating three uncertainty quantification mechanisms for reliable prediction. We evaluate HealthMamba on four large-scale real-world datasets from California, New York, Texas, and Florida. Results show HealthMamba achieves around 6.0% improvement in prediction accuracy and 3.5% improvement in uncertainty quantification over state-of-the-art baselines.
Authors: Zepeng Zhai, Meilin Chen, Jiaxuan Zhao, Junlang Qian, Lei Shen, Yuan Lu
Abstract: Reinforcement Learning with Verifiable Rewards has recently advanced the capabilities of Large Language Models in complex reasoning tasks by providing explicit rule-based supervision. Among RLVR methods, GRPO and its variants have achieved strong empirical performance. Despite their success, we identify that they suffer from Gradient Misassignment in Positives and Gradient Domination in Negatives, which lead to inefficient and suboptimal policy updates. To address these issues, we propose Rewards as Labels (REAL), a novel framework that revisits verifiable rewards as categorical labels rather than scalar weights, thereby reformulating policy optimization as a classification problem. Building on this, we further introduce anchor logits to enhance policy learning. Our analysis reveals that REAL induces a monotonic and bounded gradient weighting, enabling balanced gradient allocation across rollouts and effectively mitigating the identified mismatches. Extensive experiments on mathematical reasoning benchmarks show that REAL improves training stability and consistently outperforms GRPO and strong variants such as DAPO. On the 1.5B model, REAL improves average Pass@1 over DAPO by 6.7%. These gains further scale to 7B model, REAL continues to outperform DAPO and GSPO by 6.2% and 1.7%, respectively. Notably, even with a vanilla binary cross-entropy, REAL remains stable and exceeds DAPO by 4.5% on average.
Authors: Zhongzheng Qiao, Sheng Pan, Anni Wang, Viktoriya Zhukova, Yong Liu, Xudong Jiang, Qingsong Wen, Mingsheng Long, Ming Jin, Chenghao Liu
Abstract: Time series foundation models (TSFMs) are revolutionizing the forecasting landscape from specific dataset modeling to generalizable task evaluation. However, we contend that existing benchmarks exhibit common limitations in four dimensions: constrained data composition dominated by reused legacy sources, compromised data integrity lacking rigorous quality assurance, misaligned task formulations detached from real-world contexts, and rigid analysis perspectives that obscure generalizable insights. To bridge these gaps, we introduce TIME, a next-generation task-centric benchmark comprising 50 fresh datasets and 98 forecasting tasks, tailored for strict zero-shot TSFM evaluation free from data leakage. Integrating large language models and human expertise, we establish a rigorous human-in-the-loop benchmark construction pipeline to ensure high data integrity and redefine task formulation by aligning forecasting configurations with real-world operational requirements and variate predictability. Furthermore, we propose a novel pattern-level evaluation perspective that moves beyond traditional dataset-level evaluations based on static meta labels. By leveraging structural time series features to characterize intrinsic temporal properties, this approach offers generalizable insights into model capabilities across diverse patterns. We evaluate 12 representative TSFMs and establish a multi-granular leaderboard to facilitate in-depth analysis and visualized inspection. The leaderboard is available at https://huggingface.co/spaces/Real-TSF/TIME-leaderboard.
URLs: https://huggingface.co/spaces/Real-TSF/TIME-leaderboard.
Authors: Biswa Sengupta, Jinhua Wang, Leo Brunswic
Abstract: Recent advances in deep learning, exemplified by Hyper-Connections (HC), have expanded the residual connection paradigm by introducing wider residual streams and diverse connectivity patterns. While these innovations yield significant performance gains, they compromise the identity mapping property of residual connections, leading to training instability, limited scalability, and increased memory overhead. To address these challenges, we propose JPmHC (Jacobian-spectrum Preserving manifold-constrained Hyper-Connections), a framework that replaces identity skips with a trainable linear mixer acting on n parallel streams while explicitly controlling gradient conditioning. By constraining the mixer M on operator-norm-bounded manifolds (e.g., bistochastic, Stiefel, Grassmann), JPmHC prevents gradient pathologies and enhances stability. JPmHC introduces three key contributions: (i) a free-probability analysis that predicts Jacobian spectra for structured skips, providing actionable design rules for mixer selection; (ii) memory-efficient implicit differentiation for fixed-point projections, reducing activation memory and synchronization overhead; and (iii) a Stiefel-constrained mixer via Cayley transforms, ensuring orthogonality without post-hoc normalization. Empirical evaluations on ARC-AGI demonstrate that JPmHC achieves faster convergence, higher accuracy, and lower computational cost compared to bistochastic baselines, with a rank-$p$ Grassmannian variant tracking between the two -- consistent with the spectral theory predictions. As a flexible and scalable extension of HC, JPmHC advances spectrum-aware, stable, and efficient deep learning, offering insights into topological architecture design and foundational model evolution. \newline \newline
Authors: Yicheng Bao, Xuhong Wang, Qiaosheng Zhang, Chaochao Lu, Xia Hu, Xin Tan
Abstract: Despite their impressive capabilities, Multimodal Large Language Models (MLLMs) exhibit perceptual fragility when confronted with visually complex scenes. This weakness stems from a reliance on finite training datasets, which are prohibitively expensive to scale and impose a ceiling on model robustness. We introduce \textbf{AOT-SFT}, a large-scale adversarial dataset for bootstrapping MLLM robustness. Building on this, we propose \textbf{AOT (Adversarial Opponent Training)}, a self-play framework that forges MLLM robustness by creating its own training data. Our method orchestrates a co-evolution between an image-editing Attacker and a Defender MLLM, where the Attacker generates a diverse and dynamic curriculum of image manipulations, forcing the Defender to adapt and improve. Extensive experiments demonstrate that AOT enhances the Defender's perceptual robustness and reduces hallucinations, establishing a scalable paradigm for training more reliable MLLMs.
Authors: Ihor Kendiukhov
Abstract: Motivation: Sparse autoencoders (SAEs) decompose foundation model activations into interpretable features, but causal feature-to-feature interactions across network depth remain unknown for biological foundation models. Results: We introduce causal circuit tracing by ablating SAE features and measuring downstream responses, and apply it to Geneformer V2-316M and scGPT whole-human across four conditions (96,892 edges, 80,191 forward passes). Both models show approximately 53 percent biological coherence and 65 to 89 percent inhibitory dominance, invariant to architecture and cell type. scGPT produces stronger effects (mean absolute d = 1.40 vs. 1.05) with more balanced dynamics. Cross-model consensus yields 1,142 conserved domain pairs (10.6x enrichment, p < 0.001). Disease-associated domains are 3.59x more likely to be consensus. Gene-level CRISPRi validation shows 56.4 percent directional accuracy, confirming co-expression rather than causal encoding.
Authors: Davide Ferre' (CNRS, COATI, UniCA, I3S), Fr\'ed\'eric Giroire (I3S, COATI, UniCA), Frederik Mallmann-Trenn (CNRS, COATI, I3S, UniCA), Emanuele Natale (CNRS, COATI, I3S, UniCA)
Abstract: The Strong Lottery Ticket Hypothesis (SLTH) posits that large, randomly initialized neural networks contain sparse subnetworks capable of approximating a target function at initialization without training, suggesting that pruning alone is sufficient. Pruning methods are typically classified as unstructured, where individual weights can be removed from the network, and structured, where parameters are removed according to specific patterns, as in neuron pruning. Existing theoretical results supporting the SLTH rely almost exclusively on unstructured pruning, showing that logarithmic overparameterization suffices to approximate simple target networks. In contrast, neuron pruning has received limited theoretical attention. In this work, we consider the problem of approximating a single bias-free ReLU neuron using a randomly initialized bias-free two-layer ReLU network, thereby isolating the intrinsic limitations of neuron pruning. We show that neuron pruning requires a starting network with $\Omega(d/\varepsilon)$ hidden neurons to $\varepsilon$-approximate a target ReLU neuron. In contrast, weight pruning achieves $\varepsilon$-approximation with only $O(d\log(1/\varepsilon))$ neurons, establishing an exponential separation between the two pruning paradigms.
Authors: Logan Frank, Jim Davis
Abstract: A central idea of knowledge distillation is to expose relational structure embedded in the teacher's weights for the student to learn, which is often facilitated using a temperature parameter. Despite its widespread use, there remains limited understanding on how to select an appropriate temperature value, or how this value depends on other training elements such as optimizer, teacher pretraining/finetuning, etc. In practice, temperature is commonly chosen via grid search or by adopting values from prior work, which can be time-consuming or may lead to suboptimal student performance when training setups differ. In this work, we posit that temperature is closely linked to these training components and present a unified study that systematically examines such interactions. From analyzing these cross-connections, we identify and present common situations that have a pronounced impact on temperature selection, providing valuable guidance for practitioners employing knowledge distillation in their work.
Authors: Ryan Feng Lin, Yuantao Wei, Huiling Liao, Xiaoning Qian, Shuai Huang
Abstract: Learning causal structures typically represented by directed acyclic graphs (DAGs) from observational data is notoriously challenging due to the combinatorial explosion of possible graphs and inherent ambiguities in observations. This paper argues that causal learning is now ready for the emergence of a new paradigm supported by rapidly advancing technologies, fulfilling the long-standing vision of leveraging human causal knowledge. This paradigm integrates scalable crowdsourcing platforms for data collection, interactive knowledge elicitation for expert opinion modeling, robust aggregation techniques for expert reconciliation, and large language model (LLM)-based simulation for augmenting AI-driven information acquisition. In this paper, we focus on DAG learning for causal discovery and frame the problem as a distributed decision-making task, recognizing that each participant (human expert or LLM agent) possesses fragmented and imperfect knowledge about different subsets of the variables of interest in the causal graph. By proposing a systematic framework to synthesize these insights, we aim to enable the recovery of a global causal structure unachievable by any individual agent alone. We advocate for a new research frontier and outline a comprehensive framework for new research thrusts that range from eliciting, modeling, aggregating, and optimizing human causal knowledge contributions.
Authors: Davide Maran, Davide Salaorni, Marcello Restelli
Abstract: Reinforcement learning algorithms are typically designed for generic Markov Decision Processes (MDPs), where any state-action pair can lead to an arbitrary transition distribution. In many practical systems, however, only a subset of the state variables is directly influenced by the agent's actions, while the remaining components evolve according to exogenous dynamics and account for most of the stochasticity. In this work, we study a structured class of MDPs characterized by exogenous state components whose transitions are independent of the agent's actions. We show that exploiting this structure yields significantly improved learning guarantees, with only the size of the exogenous state space appearing in the leading terms of the regret bounds. We further establish a matching lower bound, showing that this dependence is information-theoretically optimal. Finally, we empirically validate our approach across classical toy settings and real-world-inspired environments, demonstrating substantial gains in sample efficiency compared to standard reinforcement learning methods.
Authors: Mariem Abaach, Ian Morilla
Abstract: A fundamental challenge in diagnostic imaging is the phenomenon of topological equivalence, where benign and malignant structures share global topology but differ in critical geometric detail, leading to diagnostic errors in both conventional and deep learning models. We introduce GeoTop, a mathematically principled framework that unifies Topological Data Analysis (TDA) and Lipschitz-Killing Curvatures (LKCs) to resolve this ambiguity. Unlike hybrid deep learning approaches, GeoTop provides intrinsic interpretability by fusing the capacity of persistent homology to identify robust topological signatures with the precision of LKCs in quantifying local geometric features such as boundary complexity and surface regularity. The framework's clinical utility is demonstrated through its application to skin lesion classification, where it achieves a consistent accuracy improvement of 3.6% and reduces false positives and negatives by 15-18% compared to conventional single-modality methods. Crucially, GeoTop directly addresses the problem of topological equivalence by incorporating geometric differentiators, providing both theoretical guarantees (via a formal lemma) and empirical validation via controlled benchmarks. Beyond its predictive performance, GeoTop offers inherent mathematical interpretability through persistence diagrams and curvature-based descriptors, computational efficiency for large datasets (processing 224x224 pixel images in less or equal 0.5 s), and demonstrated generalisability to molecular-level data. By unifying topological invariance with geometric sensitivity, GeoTop provides a principled, interpretable solution for advanced shape discrimination in diagnostic imaging.
Authors: Alireza F. Pour, Hassan Ashtiani, Shahab Asoodeh
Abstract: We study the problem of hypothesis selection under the constraint of local differential privacy. Given a class $\mathcal{F}$ of $k$ distributions and a set of i.i.d. samples from an unknown distribution $h$, the goal of hypothesis selection is to pick a distribution $\hat{f}$ whose total variation distance to $h$ is comparable with the best distribution in $\mathcal{F}$ (with high probability). We devise an $\varepsilon$-locally-differentially-private ($\varepsilon$-LDP) algorithm that uses $\Theta\left(\frac{k}{\alpha^2\min \{\varepsilon^2,1\}}\right)$ samples to guarantee that $d_{TV}(h,\hat{f})\leq \alpha + 9 \min_{f\in \mathcal{F}}d_{TV}(h,f)$ with high probability. This sample complexity is optimal for $\varepsilon<1$, matching the lower bound of Gopi et al. (2020). All previously known algorithms for this problem required $\Omega\left(\frac{k\log k}{\alpha^2\min \{ \varepsilon^2 ,1\}} \right)$ samples to work. Moreover, our result demonstrates the power of interaction for $\varepsilon$-LDP hypothesis selection. Namely, it breaks the known lower bound of $\Omega\left(\frac{k\log k}{\alpha^2\min \{ \varepsilon^2 ,1\}} \right)$ for the sample complexity of non-interactive hypothesis selection. Our algorithm breaks this barrier using only $\Theta(\log \log k)$ rounds of interaction. To prove our results, we define the notion of \emph{critical queries} for a Statistical Query Algorithm (SQA) which may be of independent interest. Informally, an SQA is said to use a small number of critical queries if its success relies on the accuracy of only a small number of queries it asks. We then design an LDP algorithm that uses a smaller number of critical queries.
Authors: Sabee Grewal, Vishnu Iyer, William Kretschmer, Daniel Liang
Abstract: We define a quantum learning task called agnostic tomography, where given copies of an arbitrary state $\rho$ and a class of quantum states $\mathcal{C}$, the goal is to output a succinct description of a state that approximates $\rho$ at least as well as any state in $\mathcal{C}$ (up to some small error $\varepsilon$). This task generalizes ordinary quantum tomography of states in $\mathcal{C}$ and is more challenging because the learning algorithm must be robust to perturbations of $\rho$. We give an efficient agnostic tomography algorithm for the class $\mathcal{C}$ of $n$-qubit stabilizer product states. Assuming $\rho$ has fidelity at least $\tau$ with a stabilizer product state, the algorithm runs in time $n^{O(\log(2/\tau))} / \varepsilon^2$, which is $\mathsf{poly}(n/\varepsilon)$ for any constant $\tau$.
Authors: Ahmed Abouelazm, Jonas Michel, J. Marius Zoellner
Abstract: Reinforcement learning has emerged as an important approach for autonomous driving. A reward function is used in reinforcement learning to establish the learned skill objectives and guide the agent toward the optimal policy. Since autonomous driving is a complex domain with partly conflicting objectives with varying degrees of priority, developing a suitable reward function represents a fundamental challenge. This paper aims to highlight the gap in such function design by assessing different proposed formulations in the literature and dividing individual objectives into Safety, Comfort, Progress, and Traffic Rules compliance categories. Additionally, the limitations of the reviewed reward functions are discussed, such as objectives aggregation and indifference to driving context. Furthermore, the reward categories are frequently inadequately formulated and lack standardization. This paper concludes by proposing future research that potentially addresses the observed shortcomings in rewards, including a reward validation framework and structured rewards that are context-aware and able to resolve conflicts.
Authors: H\'edi Hadiji (PUC), Sarah Sachs (PUC), Crist\'obal Guzm\'an (PUC)
Abstract: Tracking the solution of time-varying variational inequalities is an important problem with applications in game theory, optimization, and machine learning. Existing work considers time-varying games or time-varying optimization problems. For strongly convex optimization problems or strongly monotone games, these results provide tracking guarantees under the assumption that the variation of the time-varying problem is restrained, that is, problems with a sublinear solution path. In this work we extend existing results in two ways: In our first result, we provide tracking bounds for (1) variational inequalities with a sublinear solution path but not necessarily monotone functions, and (2) for periodic time-varying variational inequalities that do not necessarily have a sublinear solution path-length. Our second main contribution is an extensive study of the convergence behavior and trajectory of discrete dynamical systems of periodic time-varying VI. We show that these systems can exhibit provably chaotic behavior or can converge to the solution. Finally, we illustrate our theoretical results with experiments.
Authors: Chang Won Lee, Selina Leveugle, Svetlana Stolpner, Chris Langley, Paul Grouchy, Jonathan Kelly, Steven L. Waslander
Abstract: Anomaly segmentation is an essential capability for safety-critical robotics applications that must be aware of unexpected events. Normalizing flows (NFs), a class of generative models, are a promising approach for this task due to their ability to model the inlier data distribution efficiently. However, their performance falters in dynamic scenes, where complex, multi-modal data distributions cause them to struggle with identifying out-of-distribution samples, leaving a performance gap to leading discriminative methods. To address this limitation, we introduce FlowCLAS, a hybrid framework that enhances the traditional maximum likelihood objective of NFs with a discriminative, contrastive loss. Leveraging Outlier Exposure, this objective explicitly enforces a separation between normal and anomalous features in the latent space, retaining the probabilistic foundation of NFs while embedding the discriminative power they lack. The strength of this approach is demonstrated by FlowCLAS establishing new state-of-the-art (SOTA) performance across multiple challenging anomaly segmentation benchmarks for robotics, including Fishyscapes Lost & Found, Road Anomaly, SegmentMeIfYouCan-ObstacleTrack, and ALLO. Our experiments also show that this contrastive approach is more effective than other outlier-based training strategies for NFs, successfully bridging the performance gap to leading discriminative methods. Project page: https://trailab.github.io/FlowCLAS
Authors: Seong Jin Lee, Will Wei Sun, Yufeng Liu
Abstract: Reinforcement learning from human feedback (RLHF) has become a cornerstone for aligning large language models with human preferences. However, the heterogeneity of human feedback, driven by diverse individual contexts and preferences, poses significant challenges for reward learning. To address this, we propose a Low-rank Contextual RLHF (LoCo-RLHF) framework that integrates contextual information to better model heterogeneous feedback while maintaining computational efficiency. Our approach builds on a contextual preference model, leveraging the intrinsic low-rank structure of the interaction between user contexts and query-answer pairs to mitigate the high dimensionality of feature representations. Furthermore, we address the challenge of distributional shifts in feedback through our Pessimism in Reduced Subspace (PRS) policy, inspired by pessimistic offline reinforcement learning techniques. We theoretically demonstrate that our policy achieves a tighter sub-optimality gap compared to existing methods. Extensive experiments validate the effectiveness of LoCo-RLHF, showcasing its superior performance in personalized RLHF settings and its robustness to distribution shifts.
Authors: Robyn Larracy, Angkoon Phinyomark, Ala Salehi, Eve MacDonald, Saeed Kazemi, Shikder Shafiul Bashar, Aaron Tabor, Erik Scheme
Abstract: Gait refers to the patterns of limb movement generated during walking, which are unique to each individual due to both physical and behavioral traits. Walking patterns have been widely studied in biometrics, biomechanics, sports, and rehabilitation. While traditional methods rely on video and motion capture, advances in plantar pressure sensing technology now offer deeper insights into gait. However, underfoot pressures during walking remain underexplored due to the lack of large, publicly accessible datasets. To address this, we introduce the UNB StepUP-P150 dataset: a footStep database for gait analysis and recognition using Underfoot Pressure, including data from 150 individuals. This dataset comprises high-resolution plantar pressure data (4 sensors per cm-squared) collected using a 1.2m by 3.6m pressure-sensing walkway. It contains over 200,000 footsteps from participants walking with various speeds (preferred, slow-to-stop, fast, and slow) and footwear conditions (barefoot, standard shoes, and two personal shoes), supporting advancements in biometric gait recognition and presenting new research opportunities in biomechanics and deep learning. UNB StepUP-P150 establishes a new benchmark for plantar pressure-based gait analysis and recognition.
Authors: Chun-Wun Cheng, Yining Zhao, Yanqi Cheng, Javier A. Montoya-Zegarra, Carola-Bibiane Sch\"onlieb, Angelica I Aviles-Rivero
Abstract: Image segmentation is a fundamental task in both image analysis and medical applications. State-of-the-art methods predominantly rely on encoder-decoder architectures with a U-shaped design, commonly referred to as U-Net. Recent advancements integrating transformers and MLPs improve performance but still face key limitations, such as poor interpretability, difficulty handling intrinsic noise, and constrained expressiveness due to discrete layer structures, often lacking a solid theoretical foundation.In this work, we introduce Implicit U-KAN 2.0, a novel U-Net variant that adopts a two-phase encoder-decoder structure. In the SONO phase, we use a second-order neural ordinary differential equation (NODEs), called the SONO block, for a more efficient, expressive, and theoretically grounded modeling approach. In the SONO-MultiKAN phase, we integrate the second-order NODEs and MultiKAN layer as the core computational block to enhance interpretability and representation power. Our contributions are threefold. First, U-KAN 2.0 is an implicit deep neural network incorporating MultiKAN and second order NODEs, improving interpretability and performance while reducing computational costs. Second, we provide a theoretical analysis demonstrating that the approximation ability of the MultiKAN block is independent of the input dimension. Third, we conduct extensive experiments on a variety of 2D and a single 3D dataset, demonstrating that our model consistently outperforms existing segmentation networks. Project Website: https://math-ml-x.github.io/IUKAN2/
Authors: Robin Hesse, Do\u{g}ukan Ba\u{g}c{\i}, Bernt Schiele, Simone Schaub-Meyer, Stefan Roth
Abstract: Deep learning has become an essential part of computer vision, with deep neural networks (DNNs) excelling in predictive performance. However, they often fall short in other critical quality dimensions, such as robustness, calibration, or fairness. While existing studies have focused on a subset of these quality dimensions, none have explored a more general form of "well-behavedness" of DNNs. With this work, we address this gap by simultaneously studying nine different quality dimensions for image classification. Through a large-scale study, we provide a bird's-eye view by analyzing 326 backbone models and how different training paradigms and model architectures affect these quality dimensions. We reveal various new insights such that (i) vision-language models exhibit high class balance on ImageNet-1k classification and strong robustness against domain changes; (ii) training models initialized with weights obtained through self-supervised learning is an effective strategy to improve most considered quality dimensions; and (iii) the training dataset size is a major driver for most of the quality dimensions. We conclude our study by introducing the QUBA score (Quality Understanding Beyond Accuracy), a novel metric that ranks models across multiple dimensions of quality, enabling tailored recommendations based on specific user needs.
Authors: Xinyi Gu, Jiayuan Mao
Abstract: Recent text-to-image models excel at generating high-quality object-centric images from instructions. However, images should also encapsulate rich interactions between objects, where existing models often fall short, likely due to limited training data and benchmarks for rare interactions. This paper explores a novel application of Multimodal Large Language Models (MLLMs) to benchmark and enhance the generation of interaction-rich images. We introduce \data, an interaction-focused dataset with 1000 LLM-generated fine-grained prompts for image generation covering (1) functional and action-based interactions, (2) multi-subject interactions, and (3) compositional spatial relationships. To address interaction-rich generation challenges, we propose a decomposition-augmented refinement procedure. Our approach, \model, leverages LLMs to decompose interactions into finer-grained concepts, uses an MLLM to critique generated images, and applies targeted refinements with a partial diffusion denoising process. Automatic and human evaluations show significantly improved image quality, demonstrating the potential of enhanced inference strategies.
Authors: Alberto Morando
Abstract: Processes of evidence accumulation can make driver models more realistic, by explaining how drivers adjust their actions based on perceptual inputs and decision boundaries. The absence of a standard modelling approach limits their adoption; existing methods are hand-crafted, hard to adapt, and computationally inefficient. This paper presents Akkumula, an evidence accumulation modelling framework that uses Spiking Neural Networks and other deep learning techniques. Tested on data from a test-track experiment, the model can reproduce the time course of braking, accelerating, and steering. Akkumula integrates with existing machine learning architectures, scales to large datasets, adapts to different driving scenarios, and keeps its internal logic relatively transparent.
Authors: Joshua Harris, Fan Grayson, Felix Feldman, Timothy Laurence, Toby Nonnenmacher, Oliver Higgins, Leo Loman, Selina Patel, Thomas Finnie, Samuel Collins, Michael Borowitz
Abstract: As Large Language Models (LLMs) become widely accessible, a detailed understanding of their knowledge within specific domains becomes necessary for successful real world use. This is particularly critical in the domains of medicine and public health, where failure to retrieve relevant, accurate, and current information could significantly impact UK residents. However, while there are a number of LLM benchmarks in the medical domain, currently little is known about LLM knowledge within the field of public health. To address this issue, this paper introduces a new benchmark, PubHealthBench, with over 8000 questions for evaluating LLMs' Multiple Choice Question Answering (MCQA) and free form responses to public health queries. To create PubHealthBench we extract free text from 687 current UK government guidance documents and implement an automated pipeline for generating MCQA samples. Assessing 24 LLMs on PubHealthBench we find the latest proprietary LLMs (GPT-4.5, GPT-4.1 and o1) have a high degree of knowledge, achieving >90% accuracy in the MCQA setup, and outperform humans with cursory search engine use. However, in the free form setup we see lower performance with no model scoring >75%. Therefore, while there are promising signs that state of the art (SOTA) LLMs are an increasingly accurate source of public health information, additional safeguards or tools may still be needed when providing free form responses.
Authors: Rintaro Ando
Abstract: We present the Emotion-Gradient Metacognitive Recursive Self-Improvement (EG-MRSI) framework, a novel architecture that integrates introspective metacognition, emotion-based intrinsic motivation, and recursive self-modification into a unified theoretical system. The framework is explicitly capable of overwriting its own learning algorithm under formally bounded risk. Building upon the Noise-to-Meaning RSI (N2M-RSI) foundation, EG-MRSI introduces a differentiable intrinsic reward function driven by confidence, error, novelty, and cumulative success. This signal regulates both a metacognitive mapping and a self-modification operator constrained by provable safety mechanisms. We formally define the initial agent configuration, emotion-gradient dynamics, and RSI trigger conditions, and derive a reinforcement-compatible optimization objective that guides the agent's development trajectory. Meaning Density and Meaning Conversion Efficiency are introduced as quantifiable metrics of semantic learning, closing the gap between internal structure and predictive informativeness. This Part I paper establishes the single-agent theoretical foundations of EG-MRSI. Future parts will extend this framework to include safety certificates and rollback protocols (Part II), collective intelligence mechanisms (Part III), and feasibility constraints including thermodynamic and computational limits (Part IV). Together, the EG-MRSI series provides a rigorous, extensible foundation for open-ended and safe AGI.
Authors: Moru Liu, Hao Dong, Jessica Kelly, Olga Fink, Mario Trapp
Abstract: Out-of-distribution (OOD) detection and segmentation are crucial for deploying machine learning models in safety-critical applications such as autonomous driving and robot-assisted surgery. While prior research has primarily focused on unimodal image data, real-world applications are inherently multimodal, requiring the integration of multiple modalities for improved OOD detection. A key challenge is the lack of supervision signals from unknown data, leading to overconfident predictions on OOD samples. To address this challenge, we propose Feature Mixing, an extremely simple and fast method for multimodal outlier synthesis with theoretical support, which can be further optimized to help the model better distinguish between in-distribution (ID) and OOD data. Feature Mixing is modality-agnostic and applicable to various modality combinations. Additionally, we introduce CARLA-OOD, a novel multimodal dataset for OOD segmentation, featuring synthetic OOD objects across diverse scenes and weather conditions. Extensive experiments on SemanticKITTI, nuScenes, CARLA-OOD datasets, and the MultiOOD benchmark demonstrate that Feature Mixing achieves state-of-the-art performance with a $10 \times$ to $370 \times$ speedup. Our source code and dataset will be available at https://github.com/mona4399/FeatureMixing.
Authors: Manuela Gonz\'alez-Gonz\'alez, Soufiane Belharbi, Muhammad Osama Zeeshan, Masoumeh Sharafi, Muhammad Haseeb Aslam, Marco Pedersoli, Alessandro Lameiras Koerich, Simon L Bacon, Eric Granger
Abstract: Ambivalence and hesitancy (A/H), closely related constructs, are the primary reasons why individuals delay, avoid, or abandon health behaviour changes. They are subtle and conflicting emotions that sets a person in a state between positive and negative orientations, or between acceptance and refusal to do something. They manifest as a discord in affect between multiple modalities or within a modality, such as facial and vocal expressions, and body language. Although experts can be trained to recognize A/H as done for in-person interactions, integrating them into digital health interventions is costly and less effective. Automatic A/H recognition is therefore critical for the personalization and cost-effectiveness of digital behaviour change interventions. However, no datasets currently exist for the design of machine learning models to recognize A/H. This paper introduces the Behavioural Ambivalence/Hesitancy (BAH) dataset collected for multimodal recognition of A/H in videos. It contains 1,427 videos with a total duration of 10.60 hours, captured from 300 participants across Canada, answering predefined questions to elicit A/H. It is intended to mirror real-world digital behaviour change interventions delivered online. BAH is annotated by three experts to provide timestamps that indicate where A/H occurs, and frame- and video-level annotations with A/H cues. Video transcripts, cropped and aligned faces, and participant metadata are also provided. Since A and H manifest similarly in practice, we provide a binary annotation indicating the presence or absence of A/H. Additionally, this paper includes benchmarking results using baseline models on BAH for frame- and video-level recognition, and different learning setups. The limited performance highlights the need for adapted multimodal and spatio-temporal models for A/H recognition. The data and code are publicly available.
Authors: Dang Nguyen, Jiping Li, Jinghao Zheng, Baharan Mirzasoleiman
Abstract: Synthetically augmenting training datasets with diffusion models has become an effective strategy for improving the generalization of image classifiers. However, existing approaches typically increase dataset size by 10-30x and struggle to ensure generation diversity, leading to substantial computational overhead. In this work, we introduce TADA (TArgeted Diffusion Augmentation), a principled framework that selectively augments examples that are not learned early in training using faithful synthetic images that preserve semantic features while varying noise. We show that augmenting only this targeted subset consistently outperforms augmenting the entire dataset. Through theoretical analysis on a two-layer CNN, we prove that TADA improves generalization by promoting homogeneity in feature learning speed without amplifying noise. Extensive experiments demonstrate that by augmenting only 30-40% of the training data, TADA improves generalization by up to 2.8% across diverse architectures including ResNet, ViT, ConvNeXt, and Swin Transformer on CIFAR-10/100, TinyImageNet, and ImageNet, using optimizers such as SGD and SAM. Notably, TADA combined with SGD outperforms the state-of-the-art optimizer SAM on CIFAR-100 and TinyImageNet. Furthermore, TADA shows promising improvements on object detection benchmarks, demonstrating its applicability beyond image classification. Our code is available at https://github.com/BigML-CS-UCLA/TADA.
Authors: Korel Gundem, Juncheng Dong, Dennis Zhang, Vahid Tarokh, Zhengling Qi
Abstract: In-Context Learning (ICL) allows Large Language Models (LLMs) to adapt to new tasks with just a few examples, but their predictions often suffer from systematic biases, leading to unstable performance in classification. While calibration techniques are proposed to mitigate these biases, we show that, in the logit space, many of these methods are equivalent to merely shifting the LLM's decision boundary without having the ability to alter its orientation. This proves inadequate when biases cause the LLM to be severely misaligned. To address these limitations and provide a unifying framework, we propose Supervised Calibration (SC), a loss-minimization-based framework, which learns an optimal, per-class affine transformation of LLM's predictive probabilities in the logit space without requiring external data beyond the context. By using a more expressive functional class, SC not only subsumes many existing calibration methods in ICL as special cases but also enables the ability of altering and even completely reversing the orientation of the LLM's decision boundary. Furthermore, SC's loss-based nature facilitates the seamless integration of two purpose-built regularization techniques, context-invariance and directional trust-region regularizers. The former is designed to tackle the instability issue in ICL, while the latter is to control the degree of calibration. Finally, SC delivers state-of-the-art performance over calibration baselines in the 4-shot, 8-shot, and 16-shot settings across all nine datasets for Mistral-7B-Instruct-v0.3, Llama-2-7B-chat, and Qwen2-7B-Instruct.
Authors: Christian Huber, Alexander Waibel
Abstract: Neural sequence-to-sequence systems deliver state-of-the-art performance for automatic speech recognition. When using appropriate modeling units, e.g., byte-pair encoding, these systems are in principle open vocabulary systems. In practice, however, they often fail to recognize words not seen during training, e.g., named entities, acronyms, or domain-specific special words. To address this problem, many context biasing methods have been proposed; however, these methods may still struggle when they are unable to relate audio and corresponding text, e.g., in case of a pronunciation-orthography mismatch. We propose a method where corrections of substitution errors can be used to improve the recognition accuracy of such challenging words. Users can add corrections on the fly during inference. We show that with this method we get a relative improvement in biased word error rate between 22% and 34% compared to a text-based replacement method, while maintaining the overall performance.
Authors: Shizhe Cai, Zeya Yin, Jayadeep Jacob, Fabio Ramos
Abstract: Model Predictive Control (MPC) enables reliable trajectory optimization under dynamics constraints, but often depends on accurate dynamics models and carefully hand-designed cost functions. Recent learning-based MPC methods aim to reduce these modeling and cost-design burdens by learning dynamics, priors, or value-related guidance signals. Yet many existing approaches still rely on deterministic gradient-based solvers (e.g., differentiable MPC) or parametric sampling-based updates (e.g., CEM/MPPI), which can lead to mode collapse and convergence to a single dominant solution. We propose Q-SVMPC, a Q-guided Stein variational MPC method with an RL-informed policy prior, which casts learning-based MPC as trajectory-level posterior inference and refines trajectory particles via SVGD under learned soft Q-value guidance to explicitly preserve diverse solutions. Experiments on navigation, robotic manipulation, and a real-world fruit-picking task show improved sample efficiency, stability, and robustness over MPC, model-free RL, and learning-based MPC baselines.
Authors: Guixian Xu, Jinglai Li, Junqi Tang
Abstract: In this work, we propose Fast Equivariant Imaging (FEI), a novel unsupervised learning framework to rapidly and efficiently train deep imaging networks without ground-truth data. From the perspective of reformulating the Equivariant Imaging based optimization problem via the method of Lagrange multipliers and utilizing plug-and-play denoisers, this novel unsupervised scheme shows superior efficiency and performance compared to the vanilla Equivariant Imaging paradigm. In particular, our FEI schemes achieve an order-of-magnitude (10x) acceleration over standard EI on training U-Net for X-ray CT reconstruction and image inpainting, with improved generalization performance. In addition, the proposed scheme enables efficient test-time adaptation of a pretrained model to individual samples to secure further performance improvements. Extensive experiments show that the proposed approach provides a noticeable efficiency and performance gain over existing unsupervised methods and model adaptation techniques.
Authors: Qinyuan Ye, Robin Jia, Xiang Ren
Abstract: Large language models demonstrate the intriguing ability to perform unseen tasks via in-context learning. However, it remains unclear what mechanisms inside the model drive such task-level generalization. In this work, we approach this question through the lens of off-by-one addition (i.e., 1+1=3, 2+2=5, 3+3=?), a two-step, counterfactual task with an unexpected +1 function as a second step. Leveraging circuit-style interpretability techniques such as path patching, we analyze the models' internal computations behind their performance and present three key findings. First, we identify a mechanism that explains the model's generalization from standard addition to off-by-one addition. It resembles the induction head mechanism described in prior work, yet operates at a higher level of abstraction; we therefore term it "function induction" in this work. Second, we show that the induction of the +1 function is governed by multiple attention heads in parallel, each of which emits a distinct piece of the +1 function. Finally, we find that this function induction mechanism is reused in a broader range of tasks, including synthetic tasks such as shifted multiple-choice QA and algorithmic tasks such as base-8 addition. Overall, our findings offer deeper insights into how reusable and composable structures within language models enable task-level generalization.
Authors: Krishnakumar Balasubramanian, Nathan Ross
Abstract: We study the Finite-Dimensional Distributions (FDDs) of deep neural networks with randomly initialized weights that have finite-order moments. Specifically, we establish Gaussian approximation bounds in the Wasserstein-$1$ norm between the FDDs and their Gaussian limit assuming a Lipschitz activation function and allowing the layer widths to grow to infinity at arbitrary relative rates. In the special case where all widths are proportional to a common scale parameter $n$ and there are $L-1$ hidden layers, we obtain convergence rates of order $n^{-({1}/{6})^{L-1} + \epsilon}$, for any $\epsilon > 0$.
Authors: Stassa Patsantzis
Abstract: Inductive Logic Programming (ILP) approaches like Meta \-/ Interpretive Learning (MIL) can learn, from few examples, recursive logic programs with invented predicates that generalise well to unseen instances. This ability relies on a background theory and negative examples, both carefully selected with expert knowledge of a learning problem and its solutions. But what if such a problem-specific background theory or negative examples are not available? We formalise this question as a new setting for Self-Supervised ILP and present a new MIL algorithm that learns in the new setting from some positive labelled, and zero or more unlabelled examples, and automatically generates, and labels, new positive and negative examples during learning. We implement this algorithm in Prolog in a new MIL system, called Poker. We compare Poker to state-of-the-art MIL system Louise on experiments learning grammars for Context-Free and L-System languages from labelled, positive example strings, no negative examples, and just the terminal vocabulary of a language, seen in examples, as a first-order background theory. We introduce a new approach for the principled selection of a second-order background theory as a Second Order Definite Normal Form (SONF), sufficiently general to learn all programs in a class, thus removing the need for a backgound theory tailored to a learning task. We find that Poker's performance improves with increasing numbers of automatically generated examples while Louise, bereft of negative examples, over-generalises.
Authors: Shubhra Ghosh, Abhilekh Borah, Aditya Kumar Guru, Kripabandhu Ghosh
Abstract: The rapid proliferation of Large Language Models (LLMs) has significantly contributed to the development of equitable AI systems capable of factual question-answering (QA). However, no known study tests the LLMs' robustness when presented with obfuscated versions of questions. To systematically evaluate these limitations, we propose a novel technique, ObfusQAte, and leveraging the same, introduce ObfusQA, a comprehensive, first-of-its-kind framework with multi-tiered obfuscation levels designed to examine LLM capabilities across three distinct dimensions: (i) Named-Entity Indirection, (ii) Distractor Indirection, and (iii) Contextual Overload. By capturing these fine-grained distinctions in language, ObfusQA provides a comprehensive benchmark for evaluating LLM robustness and adaptability. Our study observes that LLMs exhibit a tendency to fail or generate hallucinated responses when confronted with these increasingly nuanced variations. To foster research in this direction, we make ObfusQAte publicly available.
Authors: Yusuke Hama, Tadashi Kadowaki
Abstract: Quantum computing and machine learning are state-of-the-art technologies that have been investigated intensively in both academia and industry. The hybrid technology of these two ingredients is expected to be a powerful tool to solve complex problems in many branches of science and engineering such as combinatorial optimization problems and accelerate the creation of next-generation technologies. In this work, we develop an algorithm to solve a black-box optimization problem by improving Factorization Machine Annealing (FMA) such that the training of a machine learning model called Factorization Machine is performed not by a full dataset but by a subdataset that is sampled from a full dataset: Subsampling Factorization Machine Annealing (SFMA). According to such a probabilistic training process, the performance of FMA on exploring a solution space gets enhanced. As a result, SFMA exhibits balanced performance of exploration and exploitation, which we call exploitation-exploration functionality. We conduct numerical benchmarking tests to compare the performance of SFMA with that of FMA. Consequently, SFMA certainly exhibits the exploration-exploitation functionality and outperforms FMA in speed and accuracy. In addition, the performance of SFMA can be further improved by sequentially using two subsampling datasets with different sizes such that the size of the latter dataset is substantially smaller than the former. Such a substantial reduction not only enhances the exploration performance of SFMA but also enables us to run it with correspondingly low computational cost even for a large-scale problem. These results indicate the effectiveness of SFMA in a certain class of black-box optimization problems of significant size: the potential scalability of SFMA in solving large-scale problems with correspondingly low computational cost.
Authors: Jasmin Frkatovic, Akash Malemath, Ivan Kankeu, Yannick Werner, Matthias Tsch\"ope, Vitor Fortes Rey, Sungho Suh, Paul Lukowicz, Nikolaos Palaiodimopoulos, Maximilian Kiefer-Emmanouilidis
Abstract: We investigate the capabilities of Quantum Generative Adversarial Networks (QGANs) in image generations tasks. Our analysis centers on fully quantum implementations of both the generator and discriminator. Through extensive numerical testing of current main architectures, we find that QGANs struggle to generalize across datasets, converging on merely the average representation of the training data. When the output of the generator is a pure-state, we analytically derive a lower bound for the discriminator quality given by the fidelity between the pure-state output of the generator and the target data distribution, thereby providing a theoretical explanation for the limitations observed in current models. Our findings reveal fundamental challenges in the generalization capabilities of existing quantum generative models. While our analysis focuses on QGANs, the results carry broader implications for the performance of related quantum generative models.
Authors: Donovan L. Buterakos, Sandesh S. Kalantre, Joshua Ziegler, Jacob M. Taylor, Justyna P. Zwolak
Abstract: Recent advances in machine learning (ML) have accelerated progress in calibrating and operating quantum dot (QD) devices. However, most ML approaches rely on access to large, representative datasets designed to capture the full spectrum of data quality encountered in practice, with both high- and low-quality data for training, benchmarking, and validation, with labels capturing key features of the device state. Collating such datasets experimentally is challenging due to limited data availability, slow measurement bandwidths, and the labor-intensive nature of labeling. QDFlow is an open-source physics simulator for multi-QD arrays that generates realistic synthetic data with ground-truth labels. QDFlow combines a self-consistent Thomas-Fermi solver, a dynamic capacitance model, and flexible noise modules to simulate charge stability diagrams and ray-based data that closely resemble experimental results. With an extensive set of parameters that can be varied and customizable noise models, QDFlow supports the creation of large, diverse datasets for ML development, benchmarking, and quantum device research.}}
Authors: Wenxin Li, Kunyu Peng, Di Wen, Ruiping Liu, Mengfei Duan, Kai Luo, Kailun Yang
Abstract: Embodied intelligence relies on accurately segmenting objects actively involved in interactions. Action-based video object segmentation addresses this by linking segmentation with action semantics, but it depends on large-scale annotations and prompts that are costly, inconsistent, and prone to multimodal noise such as imprecise masks and referential ambiguity. To date, this challenge remains unexplored. In this work, we take the first step by studying action-based video object segmentation under label noise, focusing on two sources: textual prompt noise (category flips and within-category noun substitutions) and mask annotation noise (perturbed object boundaries to mimic imprecise supervision). Our contributions are threefold. First, we introduce two types of label noises for the action-based video object segmentation task. Second, we build up the first action-based video object segmentation under a label noise benchmark ActiSeg-NL and adapt six label-noise learning strategies to this setting, and establish protocols for evaluating them under textual, boundary, and mixed noise. Third, we provide a comprehensive analysis linking noise types to failure modes and robustness gains, and we introduce a Parallel Mask Head Mechanism (PMHM) to address mask annotation noise. Qualitative evaluations further reveal characteristic failure modes, including boundary leakage and mislocalization under boundary perturbations, as well as occasional identity substitutions under textual flips. Our comparative analysis reveals that different learning strategies exhibit distinct robustness profiles, governed by a foreground-background trade-off where some achieve balanced performance while others prioritize foreground accuracy at the cost of background precision. The established benchmark and source code will be made publicly available at https://github.com/mylwx/ActiSeg-NL.
Authors: Junpei Komiyama, Daisuke Oba, Masafumi Oyamada
Abstract: We study best-of-$N$ for large language models (LLMs) where the selection is based on majority voting. In particular, we analyze the limit $N \to \infty$, which we denote as \boinflower. While this approach achieves impressive performance in the limit, it requires an infinite test-time budget. To address this, we propose an adaptive generation scheme that selects $N$ based on answer agreement, thereby efficiently allocating inference-time computation. Beyond adaptivity, we extend the framework to weighted ensembles of multiple LLMs, showing that such mixtures can outperform any individual model. The optimal ensemble weighting is formulated and efficiently computed as a mixed-integer linear program. Extensive experiments demonstrate the effectiveness of our approach.
Authors: Zhisheng Chen, Yingwei Zhang, Qizhen Lan, Tianyu Liu, Huacan Wang, Yi Ding, Ziyu Jia, Ronghao Chen, Kun Wang, Xinliang Zhou
Abstract: Current foundation models for electroencephalography (EEG) rely on architectures adapted from computer vision or natural language processing, typically treating neural signals as pixel grids or token sequences. This approach overlooks that the neural activity is activated by diverse sparse coding across a complex geometric topological cortex. Inspired by biological neural mechanisms, we propose the Unified Neural Topological Foundation Model (Uni-NTFM), an architecture rooted in three core neuroscience principles. In detail, to align with the brain's decoupled coding mechanism, we design the Heterogeneous Feature Projection Module. This module simultaneously encodes both time-domain non-stationary transients and frequency-domain steady-state rhythms, ensuring high quality in both waveform morphology and spectral rhythms. Moreover, we introduce a Topological Embedding mechanism to inject structured spatial priors and align different sensor configurations onto a unified latent functional topography, effectively reconstructing the geometry of brain regions. Furthermore, we achieve functional modularization and sparse coding efficiency of biological networks by constructing the Mixture-of-Experts Transformer network. This dynamic routing mechanism assigns different signal patterns and tasks to specialized neural subnetworks, and effectively preventing task interference while increasing the model capacity to record-breaking 1.9 billion parameters. Uni-NTFM is pre-trained on a diverse corpus comprising 28,000 hours of EEG data, and outperforms existing models across nine distinct downstream tasks under both linear probing and fine-tuning settings, demonstrating that aligning model architecture with neural mechanisms is significant to learn universal representations and achieve generalizable brain decoding. Our code is available at: https://anonymous.4open.science/r/Uni-NTFM-0924.
Authors: M A Al-Masud, Juan Miguel Lopez Alcaraz, Nils Strodthoff
Abstract: The 12-lead electrocardiogram (ECG) is a long-standing diagnostic tool. Yet machine learning for ECG interpretation remains fragmented, often limited to narrow tasks or datasets. FMs promise broader adaptability, but fundamental questions remain: Which architectures generalize best? How do models scale with limited labels? What explains performance differences across model families? We benchmarked eight ECG FMs on 26 clinically relevant tasks using 12 public datasets comprising 1,650 regression and classification targets. Models were evaluated under fine-tuning and frozen settings, with scaling analyses across dataset sizes. Results show heterogeneous performance across domains: in adult ECG interpretation, three FMs consistently outperformed strong supervised baselines. In contrast, ECG-CPC, a compact structured state-space model, dominated 5 of 7 task categories, demonstrating that architecture matters more than scale. FMs improved label efficiency 3.3-9x over supervised baselines, though scaling behaviors varied across architectures. Representation analysis reveals that models with similar performance learn markedly different internal structures, suggesting multiple viable paths to effective ECG representation. Overall, while FMs show promise for adult ECG analysis, substantial gaps remain in cardiac structure, outcome prediction, and patient characterization. ECG-CPC's strong performance despite being orders of magnitude smaller challenges the assumption that FM quality requires massive scale, highlighting architectural inductive biases as an untapped opportunity.
Authors: Rikhav Shah, Sandeep Silwal, Haike Xu
Abstract: This paper studies the use of kernel density estimation (KDE) for linear algebraic tasks involving the kernel matrix of a collection of $n$ data points in $\mathbb R^d$. In particular, we improve upon existing algorithms for computing the following up to $(1+\varepsilon)$ relative error: matrix-vector products, matrix-matrix products, the spectral norm, and sum of all entries. The runtimes of our algorithms depend on the dimension $d$, the number of points $n$, and the target error $\varepsilon$. Importantly, the dependence on $n$ in each case is far lower when accessing the kernel matrix through KDE queries as opposed to reading individual entries. Our improvements over existing best algorithms (particularly those of Backurs, Indyk, Musco, and Wagner '21) for these tasks reduce the polynomial dependence on $\varepsilon$, and additionally decreases the dependence on $n$ in the case of computing the sum of all entries of the kernel matrix. We complement our upper bounds with several lower bounds for related problems, which provide (conditional) quadratic time hardness results and additionally hint at the limits of KDE based approaches for the problems we study.
Authors: Julian Cremer, Tuan Le, Mohammad M. Ghahremanpour, Emilia S{\l}ugocka, Filipe Menezes, Djork-Arn\'e Clevert
Abstract: We present FLOWR.root, an SE(3)-equivariant flow-matching model for pocket-aware 3D ligand generation with joint potency and binding affinity prediction and confidence estimation. The model supports de novo generation, interaction- and pharmacophore-conditional sampling, fragment elaboration and replacement, and multi-endpoint affinity prediction (pIC50, pKi, pKd, pEC50). Training combines large-scale ligand libraries with mixed-fidelity protein-ligand complexes, refined on curated co-crystal datasets and adapted to project-specific data through parameter-efficient finetuning. The base FLOWR.root model achieves state-of-the-art performance in unconditional 3D molecule and pocket-conditional ligand generation. On HiQBind, the pre-trained and finetuned model demonstrates highly accurate affinity predictions, and outperforms recent state-of-the-art methods such as Boltz-2 on the FEP+/OpenFE benchmark with substantial speed advantages. However, we show that addressing unseen structure-activity landscapes requires domain adaptation; parameter-efficient LoRA finetuning yields marked improvements on diverse proprietary datasets and PDE10A. Joint generation and affinity prediction enable inference-time scaling through importance sampling, steering design toward higher-affinity compounds. Case studies validate this: selective CK2$\alpha$ ligand generation against CLK3 shows significant correlation between predicted and quantum-mechanical binding energies. Scaffold elaboration on ER$\alpha$, TYK2, and BACE1 demonstrates strong agreement between predicted affinities and QM calculations while confirming geometric fidelity. By integrating structure-aware generation, affinity estimation, property-guided sampling, and efficient domain adaptation, FLOWR.root provides a comprehensive foundation for structure-based drug design from hit identification through lead optimization.
Authors: Yufa Zhou, Yixiao Wang, Xunjian Yin, Shuyan Zhou, Anru R. Zhang
Abstract: We study how large language models (LLMs) ``think'' through their representation space. We propose a novel geometric framework that models an LLM's reasoning as flows -- embedding trajectories evolving where logic goes. We disentangle logical structure from semantics by employing the same natural deduction propositions with varied semantic carriers, allowing us to test whether LLMs internalize logic beyond surface form. This perspective connects reasoning with geometric quantities such as position, velocity, and curvature, enabling formal analysis in representation and concept spaces. Our theory establishes: (1) LLM reasoning corresponds to smooth flows in representation space, and (2) logical statements act as local controllers of these flows' velocities. Using learned representation proxies, we design controlled experiments to visualize and quantify reasoning flows, providing empirical validation of our theoretical framework. Our findings indicate that training solely via next-token prediction can lead LLMs to internalize logical invariants as higher-order geometry in representation space, challenging the ``stochastic parrot'' argument. Experiments across Qwen and LLaMA model families further suggest the presence of a general, possibly universal, representational law underlying machine understanding and human linguistic regularities, largely independent of specific training recipes or model architectures. Our work serves as both a conceptual foundation and practical tools for studying reasoning phenomena, offering a new lens for interpretability and formal analysis of LLMs' behavior.
Authors: Junwon You, Dasol Kang, Jae-Hun Jung
Abstract: Contrastive Vision-Language Models (VLMs) have demonstrated strong zero-shot capabilities. However, their cross-modal alignment remains biased toward English due to limited multilingual multimodal data. Recent multilingual extensions have alleviated this gap but enforce instance-level alignment while neglecting the global geometry of the shared embedding space. We address this problem by introducing ToMCLIP (Topological Alignment for Multilingual CLIP), a topology-aware framework aligning embedding spaces with topology-preserving constraints. The proposed method applies persistent homology to define a topological alignment loss and approximates persistence diagram with theoretical error bounds using graph sparsification strategy. This work validates the proposed approach, showing enhanced structural coherence of multilingual representations, higher zero-shot accuracy on the CIFAR-100, and stronger multilingual retrieval performance on the xFlickr&CO. Beyond VLMs, the proposed approach provides a general method for incorporating topological alignment into representation learning. Code is available at https://github.com/junwon0/ToMCLIP.git.
Authors: Xinyi Gu, Jiayuan Mao, Zhang-Wei Hong, Zhuoran Yu, Pengyuan Li, Dhiraj Joshi, Rogerio Feris, Zexue He
Abstract: Pretrained multi-modal large language models (MLLMs) demonstrate strong performance on diverse multimodal tasks, but remain limited in reasoning capabilities for domains where annotations are difficult to collect. In this work, we focus on artificial image domains such as charts, rendered documents, and webpages, which are abundant in practice yet lack large-scale human annotated reasoning datasets. We introduce COGS (COmposition-Grounded data Synthesis), a data-efficient framework for equipping MLLMs with advanced reasoning abilities from a small set of seed questions. The key idea is to decompose each seed question into primitive perception and reasoning factors, which can then be systematically recomposed with new images to generate large collections of synthetic question-answer pairs. Each generated question is paired with subquestions and intermediate answers, enabling reinforcement learning with factor-level process rewards. Experiments on chart reasoning show that COGS substantially improves performance on unseen questions, with the largest gains on reasoning-heavy and compositional questions. Moreover, training with a factor-level mixture of different seed data yields better transfer across multiple datasets, suggesting that COGS induces generalizable capabilities rather than dataset-specific overfitting. We further demonstrate that the framework extends beyond charts to other domains such as webpages.
Authors: Peter Halmos, Boris Hanin
Abstract: Wasserstein gradient flow provides a general framework for minimizing an energy functional $J$ over the space of probability measures on a Riemannian manifold $(M,g)$. Its canonical time-discretization, the Jordan-Kinderlehrer-Otto (JKO) scheme, produces for any step size $\eta>0$ a sequence of probability distributions $\rho_k^\eta$ that approximate to first order in $\eta$ Wasserstein gradient flow on $J$. But the JKO scheme also has many other remarkable properties not shared by other first order integrators, e.g. it preserves energy dissipation and exhibits unconditional stability for $\lambda$-geodesically convex functionals $J$. To better understand the JKO scheme we characterize its implicit bias at second order in $\eta$. We show that $\rho_k^\eta$ are approximated to order $\eta^2$ by Wasserstein gradient flow on a modified energy \[ J^{\eta}(\rho) = J(\rho) - \frac{\eta}{4}\int_M \Big\lVert \nabla_g \frac{\delta J}{\delta \rho} (\rho) \Big\rVert_{2}^{2} \,\rho(dx), \] obtained by subtracting from $J$ the squared metric curvature of $J$ times $\eta/4$. The JKO scheme therefore adds at second order in $\eta$ a deceleration in directions where the metric curvature of $J$ is rapidly changing. This corresponds to canonical implicit biases for common functionals: for entropy the implicit bias is the Fisher information, for KL-divergence it is the Fisher-Hyv{\"a}rinen divergence, and for Riemannian gradient descent it is the kinetic energy in the metric $g$. To understand the differences between minimizing $J$ and $J^\eta$ we study JKO-Flow, Wasserstein gradient flow on $J^\eta$, in several simple numerical examples. These include exactly solvable Langevin dynamics on the Bures-Wasserstein space and Langevin sampling from a quartic potential in 1D.
Authors: Luoxi Meng, Henry Feng, Ilia Shumailov, Earlence Fernandes
Abstract: Browser-using agents (BUAs) are an emerging class of AI agents that interact with web browsers in human-like ways, including clicking, scrolling, filling forms, and navigating across pages. While these agents help automate repetitive online tasks, they are vulnerable to prompt injection attacks that trick an agent into performing undesired actions, such as leaking private information or issuing unintended state-changing requests. We propose ceLLMate, a browser-level sandboxing framework that restricts the agent's ambient authority and reduces the blast radius of prompt injections. We address the semantic gap challenge that is fundamental to BUAs -- writing and enforcing security policies for low-level UI tools like clicks and keystrokes is brittle and error-prone. Our core insight is to perform sandboxing at the HTTP layer because all side-effecting UI operations will result in network communication to the website's backend. We implement ceLLMate as an agent-agnostic browser extension and demonstrate how it enables sandboxing policies that block prompt injection attacks in the WASP benchmark with 7.25--15% latency overhead.
Authors: Rachit Chhaya, Anirban Dasgupta, Dan Feldman, Supratim Shit
Abstract: We introduce the first iterative algorithm for constructing a $\varepsilon$-coreset that guarantees deterministic $\ell_p$ subspace embedding for any $p \in [1,\infty)$ and any $\varepsilon > 0$. For a given full rank matrix $\mathbf{X} \in \mathbb{R}^{n \times d}$ where $n \gg d$, $\mathbf{X}' \in \mathbb{R}^{m \times d}$ is an $(\varepsilon,\ell_p)$-subspace embedding of $\mathbf{X}$, if for every $\mathbf{q} \in \mathbb{R}^d$, $(1-\varepsilon)\|\mathbf{Xq}\|_{p}^{p} \leq \|\mathbf{X'q}\|_{p}^{p} \leq (1+\varepsilon)\|\mathbf{Xq}\|_{p}^{p}$. Specifically, in this paper, $\mathbf{X}'$ is a weighted subset of rows of $\mathbf{X}$ which is commonly known in the literature as a coreset. In every iteration, the algorithm ensures that the loss on the maintained set is upper and lower bounded by the loss on the original dataset with appropriate scalings. So, unlike typical coreset guarantees, due to bounded loss, our coreset gives a deterministic guarantee for the $\ell_p$ subspace embedding. For an error parameter $\varepsilon$, our algorithm takes $O(\mathrm{poly}(n,d,\varepsilon^{-1}))$ time and returns a deterministic $\varepsilon$-coreset, for $\ell_p$ subspace embedding whose size is $O\left(\frac{d^{\max\{1,p/2\}}}{\varepsilon^{2}}\right)$. Here, we remove the $\log$ factors in the coreset size, which had been a long-standing open problem. Our coresets are optimal as they are tight with the lower bound. As an application, our coreset can also be used for approximately solving the $\ell_p$ regression problem in a deterministic manner.
Authors: Prateek Jain, Shabari S Nair, Ritesh Goru, Prakhar Agarwal, Ajay Yadav, Yoga Sri Varshan Varadharajan, Constantine Caramanis
Abstract: Large-scale multi-tenant retrieval systems generate extensive query logs but lack curated relevance labels for effective domain adaptation, resulting in substantial underutilized "dark data". This challenge is compounded by the high cost of model updates, as jointly fine-tuning query and document encoders requires full corpus re-indexing, which is impractical in multi-tenant settings with thousands of isolated indices. We introduce DevRev-Search, a passage retrieval benchmark for technical customer support built via a fully automated pipeline. Candidate generation uses fusion across diverse sparse and dense retrievers, followed by an LLM-as-a-Judge for consistency filtering and relevance labeling. We further propose an Index-Preserving Adaptation strategy that fine-tunes only the query encoder, achieving strong performance gains while keeping document indices fixed. Experiments on DevRev-Search, SciFact, and FiQA-2018 show that Parameter-Efficient Fine-Tuning (PEFT) of the query encoder delivers a remarkable quality-efficiency trade-off, enabling scalable and practical enterprise search adaptation.
Authors: Lee Hyoseok, Sohwi Lim, Eunju Cha, Tae-Hyun Oh
Abstract: While latent diffusion models (LDMs) have emerged as powerful priors for inverse problems, existing LDM-based solvers frequently suffer from instability. In this work, we first identify the instability as a discrepancy between the solver dynamics and stable reverse diffusion dynamics learned by the diffusion model, and show that reducing this gap stabilizes the solver. Building on this, we introduce \textit{Measurement-Consistent Langevin Corrector (MCLC)}, a theoretically grounded plug-and-play stabilization module that remedies the LDM-based inverse problem solvers through measurement-consistent Langevin updates. Compared to prior approaches that rely on linear manifold assumptions, which often fail to hold in latent space, MCLC provides a principled stabilization mechanism, leading to more stable and reliable behavior in latent space.
Authors: Fabi Nahian Madhurja, Rusab Sarmun, Muhammad E. H. Chowdhury, Adam Mushtak, Israa Al-Hashimi, Sohaib Bassam Zoghoul
Abstract: Cervical spine fractures demand rapid and accurate diagnosis for effective clinical management. This study presents an automated, end-to-end pipeline for fracture detection across cervical vertebrae (C1--C7) that assesses the feasibility of fracture recognition from vertebra-level volumes of interest extracted using estimated 3D masks derived from fused orthogonal 2D segmentations. Unlike traditional 3D methods, our approach approximates 3D volumes via optimized 2D axial, sagittal, and coronal projections to reduce input dimensionality of intermediate pre-processing steps while maintaining high diagnostic performance for downstream fracture classification. First, spine regions of interest are localized from multi-view variance projections using a YOLOv8 detector, achieving a 3D mean Intersection over Union of 94.45%. Next, multi-label vertebra segmentation is performed using a DenseNet121-Unet architecture on energy-based sagittal and coronal projections, attaining a mean Dice score of 87.86%. The orthogonal 2D masks are then fused to reconstruct an estimated 3D mask for each vertebra, which is used to extract volumes of interest from the original CT. These extracted vertebra volumes are subsequently analyzed for fractures using an ensemble of 2.5D spatio-sequential CNN-Transformer models, yielding vertebra-level and patient-level F1 scores of 68.15 and 82.26, with area under the receiver operating characteristic curve scores of 91.62 and 83.04, respectively. The framework is further validated through an explainability study using saliency map visualizations and an interobserver variability analysis. Overall, the results indicate that this projection-based strategy delivers clinically relevant performance comparable to expert radiologists, while reducing the dimensionality of intermediate stages, supporting its potential for practical deployment.
Authors: Zhengchi Ma, Anru R. Zhang
Abstract: Imbalanced classification often causes standard training procedures to prioritize the majority class and perform poorly on rare but important cases. A classic and widely used remedy is to augment the minority class with synthetic samples, but two basic questions remain under-resolved: when does synthetic augmentation actually help, and how many synthetic samples should be generated? We develop a unified statistical framework for synthetic augmentation in imbalanced learning, studying models trained on imbalanced data augmented with synthetic minority samples. Our theory shows that synthetic data is not always beneficial. In a "local symmetry" regime, imbalance is not the dominant source of error, so adding synthetic samples cannot improve learning rates and can even degrade performance by amplifying generator mismatch. When augmentation can help ("local asymmetry"), the optimal synthetic size depends on generator accuracy and on whether the generator's residual mismatch is directionally aligned with the intrinsic majority-minority shift. This structure can make the best synthetic size deviate from naive full balancing. Practically, we recommend Validation-Tuned Synthetic Size (VTSS): select the synthetic size by minimizing balanced validation loss over a range centered near the fully balanced baseline, while allowing meaningful departures. Extensive simulations and real data analysis further support our findings.
Authors: Kei Saito
Abstract: Large language models exhibit a systematic tendency toward early semantic commitment: given ambiguous input, they collapse multiple valid interpretations into a single response before sufficient context is available. This premature collapse discards information that may prove essential as dialogue evolves. We present a formal framework for text-to-state mapping (phi: T -> S) that transforms natural language into a non-collapsing state space where multiple interpretations coexist. The mapping decomposes into three stages: conflict detection, interpretation extraction, and state construction. We instantiate phi with a hybrid extraction pipeline that combines rule-based segmentation for explicit conflict markers (adversative conjunctions, hedging expressions) with LLM-based enumeration of implicit ambiguity (epistemic, lexical, structural). On a test set of 68 ambiguous sentences, the resulting states preserve interpretive multiplicity: using hybrid extraction, we obtain mean state entropy H = 1.087 bits across ambiguity categories, compared to H = 0 for collapse-based baselines that commit to a single interpretation. We additionally instantiate the rule-based conflict detector for Japanese markers (kedo, kamoshirenai, etc.) to illustrate cross-lingual portability of the conflict detection stage. This framework extends Non-Resolution Reasoning (NRR) by providing the missing algorithmic bridge between text and the NRR state space, enabling architectural collapse deferment in LLM inference. Design principles for state-to-state transformations are detailed in the Appendix, with empirical validation on 580 test cases (180 single states, 200 contradictory pairs, 200 temporal pairs), demonstrating 0% collapse for principle-satisfying operators versus up to 17.8% for violating operators.
Authors: Paulius Rauba, Dominykas Seputis, Patrikas Vanagas, Mihaela van der Schaar
Abstract: Least privilege is a core security principle: grant each request only the minimum access needed to achieve its goal. Deployed language models almost never follow it, instead being exposed through a single API endpoint that serves all users and requests. This gap exists not because least privilege would be unhelpful; deployments would benefit greatly from reducing unnecessary capability exposure. The real obstacle is definitional and mechanistic: what does "access" mean inside a language model, and how can we enforce it without retraining or deploying multiple models? We take inspiration from least privilege in computer systems and define a class of models called least-privilege language models, where privilege is reachable internal computation during the forward pass. In this view, lowering privilege literally shrinks the model's accessible function class, as opposed to denying access via learned policies. We formalize deployment-time control as a monitor-allocator-enforcer stack, separating (i) request-time signals, (ii) a decision rule that allocates privilege, and (iii) an inference-time mechanism that selects privilege. We then propose Nested Least-Privilege Networks, a shape-preserving, rank-indexed intervention that provides a smooth, reversible control knob. We show that this knob yields policy-usable privilege-utility frontiers and enables selective suppression of targeted capabilities with limited collateral degradation across various policies. Most importantly, we argue for a new deployment paradigm that challenges the premise that language models can only be controlled at the output level.
Authors: Daisuke Oba, Danushka Bollegala, Masahiro Kaneko, Naoaki Okazaki
Abstract: Masked Diffusion Language Models generate sequences via iterative sampling that progressively unmasks tokens. However, they still recompute the attention and feed-forward blocks for every token position at every step -- even when many unmasked tokens are essentially fixed, resulting in substantial waste in compute. We propose SureLock: when the posterior at an unmasked position has stabilized across steps (our sure condition), we lock that position -- thereafter skipping its query projection and feed-forward sublayers -- while caching its attention keys and values so other positions can continue to attend to it. This reduces the dominant per-iteration computational cost from $O(N^2d)$ to $O(MNd)$ where $N$ is the sequence length, $M$ is the number of unlocked token positions, and $d$ is the model dimension. In practice, $M$ decreases as the iteration progresses, yielding substantial savings. On LLaDA-8B, SureLock reduces algorithmic FLOPs by 30--50% relative to the same sampler without locking, while maintaining comparable generation quality. We also provide a theoretical analysis to justify the design rationale of SureLock: monitoring only the local KL at the lock step suffices to bound the deviation in final token probabilities. Our project page is available at https://daioba.github.io/surelock .
Authors: Zheyuan Hu, Weitao Chen, Cengiz \"Oztireli, Chenliang Zhou, Fangcheng Zhong
Abstract: Partial Differential Equations are precise in modelling the physical, biological and graphical phenomena. However, the numerical methods suffer from the curse of dimensionality, high computation costs and domain-specific discretization. We aim to explore pros and cons of different PDE solvers, and apply them to specific scientific simulation problems, including forwarding solution, inverse problems and equations discovery. In particular, we extend the recent CNF (NeurIPS 2023) framework solver to coupled and non-linear settings, together with down-stream applications. The outcomes include implementation of selected methods, self-tuning techniques, evaluation on benchmark problems and a comprehensive survey of neural PDE solvers and scientific simulation applications.
Authors: Luciano Melodia
Abstract: We study homology of ample groupoids via the compactly supported Moore complex of the nerve. Let $A$ be a topological abelian group. For $n\ge 0$ set $C_n(\mathcal G;A) := C_c(\mathcal G_n,A)$ and define $\partial_n^A=\sum_{i=0}^n(-1)^i(d_i)_*$. This defines $H_n(\mathcal G;A)$. The theory is functorial for continuous \'etale homomorphisms. It is compatible with standard reductions, including restriction to saturated clopen subsets. In the ample setting it is invariant under Kakutani equivalence. We reprove Matui type long exact sequences and identify the comparison maps at chain level. For discrete $A$ we prove a natural universal coefficient short exact sequence $$0\to H_n(\mathcal G)\otimes_{\mathbb Z}A\xrightarrow{\ \iota_n^{\mathcal G}\ }H_n(\mathcal G;A)\xrightarrow{\ \kappa_n^{\mathcal G}\ }\operatorname{Tor}_1^{\mathbb Z}\bigl(H_{n-1}(\mathcal G),A\bigr)\to 0.$$ The key input is the chain level isomorphism $C_c(\mathcal G_n,\mathbb Z)\otimes_{\mathbb Z}A\cong C_c(\mathcal G_n,A)$, which reduces the groupoid statement to the classical algebraic UCT for the free complex $C_c(\mathcal G_\bullet,\mathbb Z)$. We also isolate the obstruction for non-discrete coefficients. For a locally compact totally disconnected Hausdorff space $X$ with a basis of compact open sets, the image of $\Phi_X:C_c(X,\mathbb Z)\otimes_{\mathbb Z}A\to C_c(X,A)$ is exactly the compactly supported functions with finite image. Thus $\Phi_X$ is surjective if and only if every $f\in C_c(X,A)$ has finite image, and for suitable $X$ one can produce compactly supported continuous maps $X\to A$ with infinite image. Finally, for a clopen saturated cover $\mathcal G_0=U_1\cup U_2$ we construct a short exact sequence of Moore complexes and derive a Mayer-Vietoris long exact sequence for $H_\bullet(\mathcal G;A)$ for explicit computations.
Authors: Antonin Sulc
Abstract: We present FastLSQ, a framework for fast PDE solving and inverse problems built on sinusoidal random Fourier features with exact analytical derivatives. Sinusoids are eigenfunctions of differentiation: derivatives of any order admit closed-form evaluation in $O(1)$ operations, enabling graph-free operator assembly without automatic differentiation. Linear PDEs are solved in a single least-squares call; nonlinear PDEs via Newton--Raphson iteration where each step reuses the analytical assembly. On 17 PDEs spanning 1 to 6 dimensions, FastLSQ achieves $10^{-7}$ in 0.07\,s on linear problems and $10^{-8}$ to $10^{-9}$ on nonlinear problems in under 9\,s -- orders of magnitude faster and more accurate than iterative PINN solvers. The framework extends to inverse problems (heat-source localisation, coil recovery from sparse sensors) and PDE discovery via analytical derivative dictionaries. Code is publicly available at github.com/sulcantonin/FastLSQ and via pip install fastlsq.
Authors: Rong Fu, Xiaowen Ma, Kun Liu, Wangyu Wu, Ziyu Kong, Jia Yee Tan, Tailong Luo, Xianda Li, Zeli Su, Youjin Wang, Yongtai Liu, Simon Fong
Abstract: Deploying expressive learning models directly on programmable dataplanes promises line-rate, low-latency traffic analysis but remains hindered by strict hardware constraints and the need for predictable, auditable behavior. Chimera introduces a principled framework that maps attention-oriented neural computations and symbolic constraints onto dataplane primitives, enabling trustworthy inference within the match-action pipeline. Chimera combines a kernelized, linearized attention approximation with a two-layer key-selection hierarchy and a cascade fusion mechanism that enforces hard symbolic guarantees while preserving neural expressivity. The design includes a hardware-aware mapping protocol and a two-timescale update scheme that together permit stable, line-rate operation under realistic dataplane budgets. The paper presents the Chimera architecture, a hardware mapping strategy, and empirical evidence showing that neuro-symbolic attention primitives can achieve high-fidelity inference within the resource envelope of commodity programmable switches.
Authors: Eduar Castrillo Velilla
Abstract: We introduce DRESS, a deterministic, parameter-free framework that iteratively refines the structural similarity of edges in a graph to produce a canonical fingerprint: a real-valued edge vector, obtained by converging a non-linear dynamical system to its unique fixed point. The fingerprint is isomorphism-invariant by construction, numerically stable (all values lie in $[0,2]$), fast and embarrassingly parallel to compute: each iteration costs $\mathcal{O}(m \cdot d_{\max})$ and convergence is guaranteed by Birkhoff contraction. As a direct consequence of these properties, DRESS is provably at least as expressive as the 2-dimensional Weisfeiler--Leman (2-WL) test, at a fraction of the cost ($\mathcal{O}(m \cdot d_{\max})$ vs. $\mathcal{O}(n^3)$ per iteration). We generalize the original equation (Castrillo, Le\'on, and G\'omez, 2018) to Motif-DRESS (arbitrary structural motifs) and Generalized-DRESS (abstract aggregation template), and introduce $\Delta$-DRESS, which runs DRESS on each vertex-deleted subgraph to boost expressiveness. $\Delta$-DRESS empirically separates all 7,983 graphs in a comprehensive Strongly Regular Graph benchmark, and iterated deletion ($\Delta^k$-DRESS) climbs the CFI staircase, achieving $(k{+}2)$-WL expressiveness at each depth $k$.
Authors: Edgar Welte, Yitian Shi, Rosa Wolf, Maximillian Gilles, Rania Rayyes
Abstract: Generative manipulation policies can fail catastrophically under deployment-time distribution shift, yet many failures are near-misses: the robot reaches almost-correct poses and would succeed with a small corrective motion. We propose FlowCorrect, a modular interactive imitation learning approach that enables deployment-time adaptation of flow-matching manipulation policies from sparse, relative human corrections without retraining. During execution, a human provides brief corrective pose nudges via a lightweight VR interface. FlowCorrect uses these sparse corrections to locally adapt the policy, improving actions without retraining the backbone while preserving the model performance on previously learned scenarios. We evaluate on a real-world robot across four tabletop tasks: pick-and-place, pouring, cup uprighting, and insertion. With a low correction budget, FlowCorrect achieves an 80% success rate on previously failed cases while preserving performance on previously solved scenarios. The results clearly demonstrate that FlowCorrect learns from very few demonstrations and enables fast, sample-efficient, incremental, human-in-the-loop corrections of generative visuomotor policies at deployment time in real-world robotics.
Authors: Ben Xue, Dan Liu, Lixiang Wang, Mingjie Sun, Peng Wang, Pengfei Zhang, Shaoyun Shi, Tianyu Xu, Yunhao Sha, Zhiqiang Liu, Bo Kong, Bo Wang, Hang Yang, Jieting Xue, Junhao Wang, Shengyu Wang, Shuping Hui, Wencai Ye, Xiao Lin, Yongzhi Li, Yuhang Chen, Zhihui Yin, Quan Chen, Shiyang Wen, Wenjin Wu, Han Li, Guorui Zhou, Changcheng Li, Peng Jiang
Abstract: Generative recommendation has recently attracted widespread attention in industry due to its potential for scaling and stronger model capacity. However, deploying real-time generative recommendation in large-scale advertising requires designs beyond large-language-model (LLM)-style training and serving recipes. We present a production-oriented generative recommender co-designed across architecture, learning, and serving, named GR4AD (Generative Recommendation for ADdvertising). As for tokenization, GR4AD proposes UA-SID (Unified Advertisement Semantic ID) to capture complicated business information. Furthermore, GR4AD introduces LazyAR, a lazy autoregressive decoder that relaxes layer-wise dependencies for short, multi-candidate generation, preserving effectiveness while reducing inference cost, which facilitates scaling under fixed serving budgets. To align optimization with business value, GR4AD employs VSL (Value-Aware Supervised Learning) and proposes RSPO (Ranking-Guided Softmax Preference Optimization), a ranking-aware, list-wise reinforcement learning algorithm that optimizes value-based rewards under list-level metrics for continual online updates. For online inference, we further propose dynamic beam serving, which adapts beam width across generation levels and online load to control compute. Large-scale online A/B tests show up to 4.2% ad revenue improvement over an existing DLRM-based stack, with consistent gains from both model scaling and inference-time scaling. GR4AD has been fully deployed in Kuaishou advertising system with over 400 million users and achieves high-throughput real-time serving.
Authors: Yujie Zhao, Boqin Yuan, Junbo Huang, Haocheng Yuan, Zhongming Yu, Haozhou Xu, Lanxiang Hu, Abhilash Shankarampeta, Zimeng Huang, Wentao Ni, Yuandong Tian, Jishen Zhao
Abstract: Large Language Models (LLMs) are deployed as autonomous agents in increasingly complex applications, where enabling long-horizon memory is critical for achieving strong performance. However, a significant gap exists between practical applications and current evaluation standards for agent memory: existing benchmarks primarily focus on dialogue-centric, human-agent interactions. In reality, agent memory consists of a continuous stream of agent-environment interactions that are primarily composed of machine-generated representations. To bridge this gap, we introduce AMA-Bench (Agent Memory with Any length), which evaluates long-horizon memory for LLMs in real agentic applications. It features two key components: (1) a set of real-world agentic trajectories across representative agentic applications, paired with expert-curated QA, and (2) a set of synthetic agentic trajectories that scale to arbitrary horizons, paired with rule-based QA. Our comprehensive study shows that existing memory systems underperform on AMA-Bench primarily because they lack causality and objective information and are constrained by the lossy nature of similarity-based retrieval employed by many memory systems. To address these limitations, we propose AMA-Agent, an effective memory system featuring a causality graph and tool-augmented retrieval. Our results demonstrate that AMA-Agent achieves 57.22% average accuracy on AMA-Bench, surpassing the strongest memory system baselines by 11.16%.
Authors: Arvind Raghavan, Elias Bareinboim
Abstract: Previous work establishing completeness results for counterfactual identification has been circumscribed to the setting where the input data belongs to observational or interventional distributions (Layers 1 and 2 of Pearl's Causal Hierarchy), since it was generally presumed impossible to obtain data from counterfactual distributions, which belong to Layer 3. However, recent work (Raghavan & Bareinboim, 2025) has formally characterized a family of counterfactual distributions which can be directly estimated via experimental methods - a notion they call counterfactual realizabilty. This leaves open the question of what additional counterfactual quantities now become identifiable, given this new access to (some) Layer 3 data. To answer this question, we develop the CTFIDU+ algorithm for identifying counterfactual queries from an arbitrary set of Layer 3 distributions, and prove that it is complete for this task. Building on this, we establish the theoretical limit of which counterfactuals can be identified from physically realizable distributions, thus implying the fundamental limit to exact causal inference in the non-parametric setting. Finally, given the impossibility of identifying certain critical types of counterfactuals, we derive novel analytic bounds for such quantities using realizable counterfactual data, and corroborate using simulations that counterfactual data helps tighten the bounds for non-identifiable quantities in practice.
Authors: Yinghao Ma, Haiwen Xia, Hewei Gao, Weixiong Chen, Yuxin Ye, Yuchen Yang, Sungkyun Chang, Mingshuo Ding, Yizhi Li, Ruibin Yuan, Simon Dixon, Emmanouil Benetos
Abstract: While music generation models have evolved to handle complex multimodal inputs mixing text, lyrics, and reference audio, evaluation mechanisms have lagged behind. In this paper, we bridge this critical gap by establishing a comprehensive ecosystem for music reward modeling under Compositional Multimodal Instruction (CMI), where the generated music may be conditioned on text descriptions, lyrics, and audio prompts. We first introduce CMI-Pref-Pseudo, a large-scale preference dataset comprising 110k pseudo-labeled samples, and CMI-Pref, a high-quality, human-annotated corpus tailored for fine-grained alignment tasks. To unify the evaluation landscape, we propose CMI-RewardBench, a unified benchmark that evaluates music reward models on heterogeneous samples across musicality, text-music alignment, and compositional instruction alignment. Leveraging these resources, we develop CMI reward models (CMI-RMs), a parameter-efficient reward model family capable of processing heterogeneous inputs. We evaluate their correlation with human judgments scores on musicality and alignment on CMI-Pref along with previous datasets. Further experiments demonstrate that CMI-RM not only correlates strongly with human judgments, but also enables effective inference-time scaling via top-k filtering. The necessary training data, benchmarks, and reward models are publicly available.
Authors: Junbo Huang, Max Weinig, Ulrich Fritsche, Ricardo Usbeck
Abstract: Narratives in news discourse play a critical role in shaping public understanding of economic events, such as inflation. Annotating and evaluating these narratives in a structured manner remains a key challenge for Natural Language Processing (NLP). In this work, we introduce a narrative graph annotation framework that integrates principles from qualitative content analysis (QCA) to prioritize annotation quality by reducing annotation errors. We present a dataset of inflation narratives annotated as directed acyclic graphs (DAGs), where nodes represent events and edges encode causal relations. To evaluate annotation quality, we employed a $6\times3$ factorial experimental design to examine the effects of narrative representation (six levels) and distance metric type (three levels) on inter-annotator agreement (Krippendorrf's $\alpha$), capturing the presence of human label variation (HLV) in narrative interpretations. Our analysis shows that (1) lenient metrics (overlap-based distance) overestimate reliability, and (2) locally-constrained representations (e.g., one-hop neighbors) reduce annotation variability. Our annotation and implementation of graph-based Krippendorrf's $\alpha$ are open-sourced. The annotation framework and evaluation results provide practical guidance for NLP research on graph-based narrative annotation under HLV.
Authors: Felipe Maia Polo, Aida Nematzadeh, Virginia Aglietti, Adam Fisch, Isabela Albuquerque
Abstract: Moving beyond evaluations that collapse performance across heterogeneous prompts toward fine-grained evaluation at the prompt level, or within relatively homogeneous subsets, is necessary to diagnose generative models' strengths and weaknesses. Such fine-grained evaluations, however, suffer from a data bottleneck: human gold-standard labels are too costly at this scale, while automated ratings are often misaligned with human judgment. To resolve this challenge, we propose a novel statistical model based on tensor factorization that merges cheap autorater data with a limited set of human gold-standard labels. Specifically, our approach uses autorater scores to pretrain latent representations of prompts and generative models, and then aligns those pretrained representations to human preferences using a small calibration set. This sample-efficient methodology is robust to autorater quality, more accurately predicts human preferences on a per-prompt basis than standard baselines, and provides tight confidence intervals for key statistical parameters of interest. We also showcase the practical utility of our method by constructing granular leaderboards based on prompt qualities and by estimating model performance solely from autorater scores, eliminating the need for additional human annotations.
Authors: Jungwon Seo, Ferhat Ozgur Catak, Chunming Rong, Jaeyeon Jang
Abstract: Federated Inference (FI) studies how independently trained and privately owned models can collaborate at inference time without sharing data or model parameters. While recent work has explored secure and distributed inference from disparate perspectives, a unified abstraction and system-level understanding of FI remain lacking. This paper positions FI as a distinct collaborative paradigm, complementary to federated learning, and identifies two fundamental requirements that govern its feasibility: inference-time privacy preservation and meaningful performance gains through collaboration. We formalize FI as a protected collaborative computation, analyze its core design dimensions, and examine the structural trade-offs that arise when privacy constraints, non-IID data, and limited observability are jointly imposed at inference time. Through a concrete instantiation and empirical analysis, we highlight recurring friction points in privacy-preserving inference, ensemble-based collaboration, and incentive alignment. Our findings suggest that FI exhibits system-level behaviors that cannot be directly inherited from training-time federation or classical ensemble methods. Overall, this work provides a unifying perspective on FI and outlines open challenges that must be addressed to enable practical, scalable, and privacy-preserving collaborative inference systems.
Authors: Gabriel Melo, Thibaut de Saivre, Anna Calissano, Florence d'Alch\'e-Buc
Abstract: Supervised graph prediction addresses regression problems where the outputs are structured graphs. Although several approaches exist for graph-valued prediction, principled uncertainty quantification remains limited. We propose a conformal prediction framework for graph-valued outputs, providing distribution-free coverage guarantees in structured output spaces. Our method defines nonconformity via the Z-Gromov-Wasserstein distance, instantiated in practice through Fused Gromov-Wasserstein (FGW), enabling permutation invariant comparison between predicted and candidate graphs. To obtain adaptive prediction sets, we introduce Score Conformalized Quantile Regression (SCQR), an extension of Conformalized Quantile Regression (CQR) to handle complex output spaces such as graph-valued outputs. We evaluate the proposed approach on a synthetic task and a real problem of molecule identification.
Authors: Huanlei Guo, Hongxin Wei, Bingyi Jing
Abstract: Recent text-to-image (T2I) diffusion and flow-matching models can produce highly realistic images from natural language prompts. In practical scenarios, T2I systems are often run in a ``generate--then--select'' mode: many seeds are sampled and only a few images are kept for use. However, this pipeline is highly resource-intensive since each candidate requires tens to hundreds of denoising steps, and evaluation metrics such as CLIPScore and ImageReward are post-hoc. In this work, we address this inefficiency by introducing Probe-Select, a plug-in module that enables efficient evaluation of image quality within the generation process. We observe that certain intermediate denoiser activations, even at early timesteps, encode a stable coarse structure, object layout and spatial arrangement--that strongly correlates with final image fidelity. Probe-Select exploits this property by predicting final quality scores directly from early activations, allowing unpromising seeds to be terminated early. Across diffusion and flow-matching backbones, our experiments show that early evaluation at only 20\% of the trajectory accurately ranks candidate seeds and enables selective continuation. This strategy reduces sampling cost by over 60\% while improving the quality of the retained images, demonstrating that early structural signals can effectively guide selective generation without altering the underlying generative model. Code is available at https://github.com/Guhuary/ProbeSelect.