Authors: Noah Broestl, Adel Nasser Abdalla, Rajprakash Bale, Hersh Gupta, Max Struever
Abstract: Reliably determining the performance of Retrieval-Augmented Generation (RAG) systems depends on comprehensive test questions. While a proliferation of evaluation frameworks for LLM-powered applications exists, current practices lack a systematic method to ensure these test sets adequately cover the underlying knowledge base, leaving developers with significant blind spots. To address this, we present a novel, applied methodology to quantify the semantic coverage of RAG test questions against their underlying documents. Our approach leverages existing technologies, including vector embeddings and clustering algorithms, to create a practical framework for validating test comprehensiveness. Our methodology embeds document chunks and test questions into a unified vector space, enabling the calculation of multiple coverage metrics: basic proximity, content-weighted coverage, and multi-topic question coverage. Furthermore, we incorporate outlier detection to filter irrelevant questions, allowing for the refinement of test sets. Experimental evidence from two distinct use cases demonstrates that our framework effectively quantifies test coverage, identifies specific content areas with inadequate representation, and provides concrete recommendations for generating new, high-value test questions. This work provides RAG developers with essential tools to build more robust test suites, thereby improving system reliability and extending to applications such as identifying misaligned documents.
Authors: Ahmed A. Elhag, Arun Raja, Alex Morehead, Samuel M. Blau, Garrett M. Morris, Michael M. Bronstein
Abstract: Accurate and scalable machine-learned inter-atomic potentials (MLIPs) are essential for molecular simulations ranging from drug discovery to new material design. Current state-of-the-art models enforce roto-translational symmetries through equivariant neural network architectures, a hard-wired inductive bias that can often lead to reduced flexibility, computational efficiency, and scalability. In this work, we introduce TransIP: Transformer-based Inter-Atomic Potentials, a novel training paradigm for interatomic potentials achieving symmetry compliance without explicit architectural constraints. Our approach guides a generic non-equivariant Transformer-based model to learn SO(3)-equivariance by optimizing its representations in the embedding space. Trained on the recent Open Molecules (OMol25) collection, a large and diverse molecular dataset built specifically for MLIPs and covering different types of molecules (including small organics, biomolecular fragments, and electrolyte-like species), TransIP attains comparable performance in machine-learning force fields versus state-of-the-art equivariant baselines. Further, compared to a data augmentation baseline, TransIP achieves 40% to 60% improvement in performance across varying OMol25 dataset sizes. More broadly, our work shows that learned equivariance can be a powerful and efficient alternative to equivariant or augmentation-based MLIP models.
Authors: Ye Qiao, Haocheng Xu, Xiaofan Zhang, Sitao Huang
Abstract: Extending the context window support of large language models (LLMs) is crucial for tasks with long-distance dependencies. RoPE-based interpolation and extrapolation methods, such as linear scaling and frequency-aware schemes, enable longer input length support without retraining, while post-training quantization (PTQ) makes deployment practical. However, we show that combining RoPE position interpolation (PI) with PTQ degrades accuracy due to coupled effects including long-context aliasing, dynamic-range dilation, anisotropy from axis-aligned quantizers vs. rotated RoPE pairs, and outlier shifting that produces position-dependent logit noise. We provide, to the best of our knowledge, the first systematic analysis of the PI+PTQ approach and introduce two practical diagnostics: interpolation pressure (per-band sensitivity to phase scaling) and tail-inflation ratios (outlier shift from short to long contexts). Following the analysis results, we propose Q-ROAR (Quantization, RoPE-interpolation, and Outlier Aware Rescaling), a weight-only, interpolation-aware stabilization of PI for quantized LLMs. Q-ROAR groups RoPE dimensions into a small number of frequency bands and performs a lightweight search over per-band scales for Key and Query weights (with an optional symmetric variant to preserve logit scale). The search is guided by our diagnostics and uses a tiny long-context development dataset, requiring no fine-tuning to the model, no architecture or kernel changes, and no additional deployment overhead. Empirically, Q-ROAR reduces the model's perplexity on long-context workloads by more than 14%, while preserving short-context performance, inference throughput, and compatibility with existing LLM system stacks.
Authors: Maria Ana Cardei, Josephine Lamp, Mark Derdzinski, Karan Bhatia
Abstract: We present DexBench, the first benchmark designed to evaluate large language model (LLM) performance across real-world decision-making tasks faced by individuals managing diabetes in their daily lives. Unlike prior health benchmarks that are either generic, clinician-facing or focused on clinical tasks (e.g., diagnosis, triage), DexBench introduces a comprehensive evaluation framework tailored to the unique challenges of prototyping patient-facing AI solutions in diabetes, glucose management, metabolic health and related domains. Our benchmark encompasses 7 distinct task categories, reflecting the breadth of real-world questions individuals with diabetes ask, including basic glucose interpretation, educational queries, behavioral associations, advanced decision making and long term planning. Towards this end, we compile a rich dataset comprising one month of time-series data encompassing glucose traces and metrics from continuous glucose monitors (CGMs) and behavioral logs (e.g., eating and activity patterns) from 15,000 individuals across three different diabetes populations (type 1, type 2, pre-diabetes/general health and wellness). Using this data, we generate a total of 360,600 personalized, contextual questions across the 7 tasks. We evaluate model performance on these tasks across 5 metrics: accuracy, groundedness, safety, clarity and actionability. Our analysis of 8 recent LLMs reveals substantial variability across tasks and metrics; no single model consistently outperforms others across all dimensions. By establishing this benchmark, we aim to advance the reliability, safety, effectiveness and practical utility of AI solutions in diabetes care.
Authors: Gregory D. Baker, Scott McCallum, Dirk Pattinson
Abstract: Many real-world machine learning problems involve inherently hierarchical data, yet traditional approaches rely on Euclidean metrics that fail to capture the discrete, branching nature of hierarchical relationships. We present a theoretical foundation for machine learning in p-adic metric spaces, which naturally respect hierarchical structure. Our main result proves that an n-dimensional plane minimizing the p-adic sum of distances to points in a dataset must pass through at least n + 1 of those points -- a striking contrast to Euclidean regression that highlights how p-adic metrics better align with the discrete nature of hierarchical data. As a corollary, a polynomial of degree n constructed to minimise the p-adic sum of residuals will pass through at least n + 1 points. As a further corollary, a polynomial of degree n approximating a higher degree polynomial at a finite number of points will yield a difference polynomial that has distinct rational roots. We demonstrate the practical significance of this result through two applications in natural language processing: analyzing hierarchical taxonomies and modeling grammatical morphology. These results suggest that p-adic metrics may be fundamental to properly handling hierarchical data structures in machine learning. In hierarchical data, interpolation between points often makes less sense than selecting actual observed points as representatives.
Authors: Abdelrhman Gaber, Hassan Abd-Eltawab, Youssif Abuzied, Muhammad ElMahdy, Tamer ElBatt
Abstract: Federated learning (FL) enables collaborative model training without sharing raw data, making it attractive for privacy-sensitive domains such as healthcare, finance, and IoT. A major obstacle, however, is the heterogeneity of tabular data across clients, where divergent schemas and incompatible feature spaces prevent straightforward aggregation. To address this challenge, we propose FedLLM-Align, a federated framework that leverages pre-trained large language models (LLMs) as universal feature extractors. Tabular records are serialized into text, and embeddings from models such as DistilBERT, ALBERT, RoBERTa, and ClinicalBERT provide semantically aligned representations that support lightweight local classifiers under the standard FedAvg protocol. This approach removes the need for manual schema harmonization while preserving privacy, since raw data remain strictly local. We evaluate FedLLM-Align on coronary heart disease prediction using partitioned Framingham datasets with simulated schema divergence. Across all client settings and LLM backbones, our method consistently outperforms state-of-the-art baselines, achieving up to +0.25 improvement in F1-score and a 65% reduction in communication cost. Stress testing under extreme schema divergence further demonstrates graceful degradation, unlike traditional methods that collapse entirely. These results establish FedLLM-Align as a robust, privacy-preserving, and communication-efficient solution for federated learning in heterogeneous environments.
Authors: Sicong Liu, Weiye Wu, Xiangrui Xu, Teng Li, Bowen Pang, Bin Guo, Zhiwen Yu
Abstract: Foundation models have reshaped AI by unifying fragmented architectures into scalable backbones with multimodal reasoning and contextual adaptation. In parallel, the long-standing notion of AI agents, defined by the sensing-decision-action loop, is entering a new paradigm: with FMs as their cognitive core, agents transcend rule-based behaviors to achieve autonomy, generalization, and self-reflection. This dual shift is reinforced by real-world demands such as autonomous driving, robotics, virtual assistants, and GUI agents, as well as ecosystem advances in embedded hardware, edge computing, mobile deployment platforms, and communication protocols that together enable large-scale deployment. Yet this convergence collides with reality: while applications demand long-term adaptability and real-time interaction, mobile and edge deployments remain constrained by memory, energy, bandwidth, and latency. This creates a fundamental tension between the growing complexity of FMs and the limited resources of deployment environments. This survey provides the first systematic characterization of adaptive, resource-efficient agentic AI systems. We summarize enabling techniques into elastic inference, test-time adaptation, dynamic multimodal integration, and agentic AI applications, and identify open challenges in balancing accuracy-latency-communication trade-offs and sustaining robustness under distribution shifts. We further highlight future opportunities in algorithm-system co-design, cognitive adaptation, and collaborative edge deployment. By mapping FM structures, cognition, and hardware resources, this work establishes a unified perspective toward scalable, adaptive, and resource-efficient agentic AI. We believe this survey can help readers to understand the connections between enabling technologies while promoting further discussions on the fusion of agentic intelligence and intelligent agents.
Authors: Ryoya Yamasaki
Abstract: Ordinal regression (OR, also called ordinal classification) is classification of ordinal data, in which the underlying target variable is categorical and considered to have a natural ordinal relation for the underlying explanatory variable. A key to successful OR models is to find a data structure `natural ordinal relation' common to many ordinal data and reflect that structure into the design of those models. A recent OR study found that many real-world ordinal data show a tendency that the conditional probability distribution (CPD) of the target variable given a value of the explanatory variable will often be unimodal. Several previous studies thus developed unimodal likelihood models, in which a predicted CPD is guaranteed to become unimodal. However, it was also observed experimentally that many real-world ordinal data partly have values of the explanatory variable where the underlying CPD will be non-unimodal, and hence unimodal likelihood models may suffer from a bias for such a CPD. Therefore, motivated to mitigate such a bias, we propose approximately unimodal likelihood models, which can represent up to a unimodal CPD and a CPD that is close to be unimodal. We also verify experimentally that a proposed model can be effective for statistical modeling of ordinal data and OR tasks.
Authors: Hengkui Wu, Liujiang Liu, Jihua He, Qihao Wang, Keke Zhao, Shuyang Hu, Renle Fu, Dahao Liang, Lingyu Zeng, Bruce Liu, Yuan Liu, Jin Zhan, Jiaqiang Niu, Xinglong Jia, Yaqin Hu, Wenjun Ji, Panpan Chi, Ken Chen, Hengyuan Wu, Yingsi Xin, Yongfeng Zhu, Yuexin Wang, Manqi Ruan, Ningtao Bian, Xiaohua Wu, Weipeng Xu
Abstract: We introduce BigBang-Proton, a unified sequence-based architecture for auto-regressive language modeling pretrained on cross-scale, cross-structure, cross-discipline real-world scientific tasks to construct a scientific multi-task learner. BigBang-Proton incorporates three fundamental innovations compared to mainstream general-purpose LLMs: Theory-Experiment Learning paradigm aligns large-scale numerical experimental data with theoretical text corpora; Binary Patch Encoding replaces byte pair encoding(BPE) tokenization; Monte Carlo Attention substitutes traditional transformer architectures. Through next-word-prediction pretraining on cross-discipline scientific datasets of real-world problems mixed with general textual corpus, followed by fine-tuning and inference on downstream tasks, BigBang-Proton demonstrates 100\% accuracy in up to 50-digit arithmetic addition operations, performance on par with leading specialized models in particle physics jet tagging, matching MAE of specialized models in inter-atomic potential simulation, performance comparable to traditional spatiotemporal models in water quality prediction, and benchmark-exceeding performance in genome modeling. These results prove that language-guided scientific computing can match or exceed the performance of task-specific scientific models while maintaining multitask learning capabilities. We further hypothesize to scale the pretraining to the universe scale as a fundamental step toward developing material world foundational model.
Authors: Adarsha Balaji, Sandeep Madireddy
Abstract: Foundational models based on the transformer architecture are currently the state-of-the-art in general language modeling, as well as in scientific areas such as material science and climate. However, training and deploying these models is computationally challenging as the time and space complexity has a quadratic relation to the input sequence length. Several efforts exploring efficient computational paradigms and model architectures to address these limitations have been made. In this work, we explore spiking neural networks (SNNs) to design transformer models. A challenge in training large-scale SNNs, using existing surrogate learning methods is inefficient and time-consuming. On the other hand, techniques to convert existing transformer-based models to their SNN equivalent are not scalable, as achieving optimal performance comes at the cost of a large number of spike time-steps, i.e. increased latency. To address this, we propose NeurTransformer, a methodology for designing transformer-based SNN for inference using a supervised fine-tuning approach with existing conversion methods. The proposed methodology works by: (1) replacing the self-attention mechanism with a spike-based self-attention (SSA), (2) converting the feed-forward block of the trained transformer model to its equivalent SNN, and (3) fine-tuning the SSA block using SNN-based surrogate learning algorithms. We benchmark the proposed methodology and demonstrate its accuracy and scalability using three variants of the GPT-2 model of increasing model size. We observe that the converted GPT-2 small models demonstrate a 5-12% loss in cosine similarity and a 9.7% reduction in perplexity. Finally, we demonstrate the energy efficiency of the SSA block compared to the ASA block and show between 64.71% and 85.28% reductions in estimated energy consumption when implementing the self-attention mechanism on a digital hardware.
Authors: Yujia Zheng, Shaoan Xie, Kun Zhang
Abstract: We are born with the ability to learn concepts by comparing diverse observations. This helps us to understand the new world in a compositional manner and facilitates extrapolation, as objects naturally consist of multiple concepts. In this work, we argue that the cognitive mechanism of comparison, fundamental to human learning, is also vital for machines to recover true concepts underlying the data. This offers correctness guarantees for the field of concept learning, which, despite its impressive empirical successes, still lacks general theoretical support. Specifically, we aim to develop a theoretical framework for the identifiability of concepts with multiple classes of observations. We show that with sufficient diversity across classes, hidden concepts can be identified without assuming specific concept types, functional relations, or parametric generative models. Interestingly, even when conditions are not globally satisfied, we can still provide alternative guarantees for as many concepts as possible based on local comparisons, thereby extending the applicability of our theory to more flexible scenarios. Moreover, the hidden structure between classes and concepts can also be identified nonparametrically. We validate our theoretical results in both synthetic and real-world settings.
Authors: Shreyas Chaudhari, Renhao Zhang, Philip S. Thomas, Bruno Castro da Silva
Abstract: The ability of reinforcement learning algorithms to learn effective policies is determined by the rewards available during training. However, for practical problems, obtaining large quantities of reward labels is often infeasible due to computational or financial constraints, particularly when relying on human feedback. When reinforcement learning must proceed with limited feedback -- only a fraction of samples get rewards labeled -- a fundamental question arises: which samples should be labeled to maximize policy performance? We formalize this problem of reward selection for reinforcement learning from limited feedback (RLLF), introducing a new problem formulation that facilitates the study of strategies for selecting impactful rewards. Two types of selection strategies are investigated: (i) heuristics that rely on reward-free information such as state visitation and partial value functions, and (ii) strategies pre-trained using auxiliary evaluative feedback. We find that critical subsets of rewards are those that (1) guide the agent along optimal trajectories, and (2) support recovery toward near-optimal behavior after deviations. Effective selection methods yield near-optimal policies with significantly fewer reward labels than full supervision, establishing reward selection as a powerful paradigm for scaling reinforcement learning in feedback-limited settings.
Authors: Saeyoung Rho, Junzhe Zhang, Elias Bareinboim
Abstract: The wide adoption of AI decision-making systems in critical domains such as criminal justice, loan approval, and hiring processes has heightened concerns about algorithmic fairness. As we often only have access to the output of algorithms without insights into their internal mechanisms, it was natural to examine how decisions would alter when auxiliary sensitive attributes (such as race) change. This led the research community to come up with counterfactual fairness measures, but how to evaluate the measure from available data remains a challenging task. In many practical applications, the target counterfactual measure is not identifiable, i.e., it cannot be uniquely determined from the combination of quantitative data and qualitative knowledge. This paper addresses this challenge using partial identification, which derives informative bounds over counterfactual fairness measures from observational data. We introduce a Bayesian approach to bound unknown counterfactual fairness measures with high confidence. We demonstrate our algorithm on the COMPAS dataset, examining fairness in recidivism risk scores with respect to race, age, and sex. Our results reveal a positive (spurious) effect on the COMPAS score when changing race to African-American (from all others) and a negative (direct causal) effect when transitioning from young to old age.
Authors: Xiaoyan Bai, Itamar Pres, Yuntian Deng, Chenhao Tan, Stuart Shieber, Fernanda Vi\'egas, Martin Wattenberg, Andrew Lee
Abstract: Language models are increasingly capable, yet still fail at a seemingly simple task of multi-digit multiplication. In this work, we study why, by reverse-engineering a model that successfully learns multiplication via \emph{implicit chain-of-thought}, and report three findings: (1) Evidence of long-range structure: Logit attributions and linear probes indicate that the model encodes the necessary long-range dependencies for multi-digit multiplication. (2) Mechanism: the model encodes long-range dependencies using attention to construct a directed acyclic graph to ``cache'' and ``retrieve'' pairwise partial products. (3) Geometry: the model implements partial products in attention heads by forming Minkowski sums between pairs of digits, and digits are represented using a Fourier basis, both of which are intuitive and efficient representations that the standard fine-tuning model lacks. With these insights, we revisit the learning dynamics of standard fine-tuning and find that the model converges to a local optimum that lacks the required long-range dependencies. We further validate this understanding by introducing an auxiliary loss that predicts the ``running sum'' via a linear regression probe, which provides an inductive bias that enables the model to successfully learn multi-digit multiplication. In summary, by reverse-engineering the mechanisms of an implicit chain-of-thought model we uncover a pitfall for learning long-range dependencies in Transformers and provide an example of how the correct inductive bias can address this issue.
Authors: Xin Yu, Cong Xie, Ziyu Zhao, Tiantian Fan, Lingzhou Xue, Zhi Zhang
Abstract: Low-rank adaptation (LoRA) has become a widely used paradigm for parameter-efficient fine-tuning of large language models, yet its representational capacity often lags behind full fine-tuning. Within the context of LoRA, a key open question is how to obtain expressive low-rank adapters from over-parameterized spaces. We propose \textit{PrunedLoRA}, a new framework that leverages structured pruning to obtain highly representative low-rank adapters from an over-parameterized initialization. Unlike prior approaches that impose a fixed low-rank budget, PrunedLoRA dynamically prunes less important components during fine-tuning and prevents their reactivation, enabling flexible and adaptive rank allocation. For structured pruning, by minimizing the pruning error for overall loss, we provide fine-grained pruning and recovery updates in a gradient-based pruning strategy with grounded interpretation. We provide the first theoretical analysis of the robustness of structured pruning and provably show that under the impact of weight perturbation, gradient-based pruning is more robust than activation-based pruning with respect to overall loss. Empirically, PrunedLoRA consistently outperforms LoRA and its variants across supervised fine-tuning tasks in mathematical reasoning, code generation, and natural language understanding, and it also demonstrates advantages over existing structured pruning methods across diverse sparsity levels.
Authors: Prasanna Parthasarathi, Mathieu Reymond, Boxing Chen, Yufei Cui, Sarath Chandar
Abstract: Large language models (LLMs) are increasingly deployed for tasks requiring complex reasoning, prompting significant interest in improving their reasoning abilities through post-training. Especially RL based methods using verifiable reward, like the state-of-the-art GRPO, have shown to tremendously improve reasoning behaviors when applied as post-training methods. However, the lack of an explicit reward or critic model limits GRPO's ability to assign fine-grained credit across token sequences. In this work, we present GRPO-$\lambda$, a novel extension to GRPO that enhances credit assignment in RL finetuning of LLMs for complex reasoning tasks. We approximate learning from $\lambda$-return with a reformulation of eligibility traces using token-level log-probabilities applied after each sequence generation, and a novel critic-free approximation of the temporal-difference error. We introduce a few variations for the weighting of the $\lambda$-return, and their applications to the eligibility-trace, where all the variations provide significant gains over GRPO. We compare GRPO-$\lambda$ against GRPO by training models from 1.5B to 7B parameters on $4$ different math reasoning datasets. The training plots demonstrate 30-40% improved performance during RL training on both LLaMA-3.1 and Qwen-2.5 architectures. Finally, we show that with GRPO-$\lambda$, the resulting average performance on AIME24, Math500, OlympiadMath, MinervaMath, and AMC improves over GRPO by over $3$ points and a $4.5$ points improvement on the 7B model.
Authors: Yifan Lu, Rixin Liu, Jiayi Yuan, Xingqi Cui, Shenrun Zhang, Hongyi Liu, Jiarong Xing
Abstract: Today's LLM ecosystem comprises a wide spectrum of models that differ in size, capability, and cost. No single model is optimal for all scenarios; hence, LLM routers have become essential for selecting the most appropriate model under varying circumstances. However, the rapid emergence of various routers makes choosing the right one increasingly challenging. To address this problem, we need a comprehensive router comparison and a standardized leaderboard, similar to those available for models. In this work, we introduce RouterArena, the first open platform enabling comprehensive comparison of LLM routers. RouterArena has (1) a principally constructed dataset with broad knowledge domain coverage, (2) distinguishable difficulty levels for each domain, (3) an extensive list of evaluation metrics, and (4) an automated framework for leaderboard updates. Leveraging our framework, we have produced the initial leaderboard with detailed metrics comparison as shown in Figure 1. We will make our platform open to the public soon.
Authors: Zhanda Zhu, Qidong Su, Yaoyao Ding, Kevin Song, Shang Wang, Gennady Pekhimenko
Abstract: Low-Rank Adaptation (LoRA) has become the leading Parameter-Efficient Fine-Tuning (PEFT) method for Large Language Models (LLMs), as it significantly reduces GPU memory usage while maintaining competitive fine-tuned model quality on downstream tasks. Despite these benefits, we identify two key inefficiencies in existing LoRA fine-tuning systems. First, they incur substantial runtime overhead due to redundant memory accesses on large activation tensors. Second, they miss the opportunity to concurrently fine-tune multiple independent LoRA adapters that share the same base model on the same set of GPUs. This leads to missed performance gains such as reduced pipeline bubbles, better communication overlap, and improved GPU load balance. To address these issues, we introduce LoRAFusion, an efficient LoRA fine-tuning system for LLMs. At the kernel level, we propose a graph-splitting method that fuses memory-bound operations. This design eliminates unnecessary memory accesses and preserves the performance of compute-bound GEMMs without incurring the cost of recomputation or synchronization. At the scheduling level, LoRAFusion introduces an adaptive batching algorithm for multi-job fine-tuning. It first splits LoRA adapters into groups to intentionally stagger batch execution across jobs, and then solves a bin-packing problem within each group to generate balanced, dependency-aware microbatches. LoRAFusion achieves up to $1.96\times$ ($1.47\times$ on average) end-to-end speedup compared to Megatron-LM, and up to $1.46\times$ ($1.29\times$ on average) improvement over mLoRA, the state-of-the-art multi-LoRA fine-tuning system. Our fused kernel achieves up to $1.39\times$ ($1.27\times$ on average) kernel performance improvement and can directly serve as a plug-and-play replacement in existing LoRA systems. We open-source LoRAFusion at https://github.com/CentML/lorafusion.
Authors: Yang Zhang, Huiwen Yan, Mushuang Liu
Abstract: Model-Agnostic Meta-Learning (MAML) is a versatile meta-learning framework applicable to both supervised learning and reinforcement learning (RL). However, applying MAML to meta-reinforcement learning (meta-RL) presents notable challenges. First, MAML relies on second-order gradient computations, leading to significant computational and memory overhead. Second, the nested structure of optimization increases the problem's complexity, making convergence to a global optimum more challenging. To overcome these limitations, we propose Directed-MAML, a novel task-directed meta-RL algorithm. Before the second-order gradient step, Directed-MAML applies an additional first-order task-directed approximation to estimate the effect of second-order gradients, thereby accelerating convergence to the optimum and reducing computational cost. Experimental results demonstrate that Directed-MAML surpasses MAML-based baselines in computational efficiency and convergence speed in the scenarios of CartPole-v1, LunarLander-v2 and two-vehicle intersection crossing. Furthermore, we show that task-directed approximation can be effectively integrated into other meta-learning algorithms, such as First-Order Model-Agnostic Meta-Learning (FOMAML) and Meta Stochastic Gradient Descent(Meta-SGD), yielding improved computational efficiency and convergence speed.
Authors: Houjun Liu, Shikhar Murty, Christopher D. Manning, R\'obert Csord\'as
Abstract: Current approaches for scaling inference-time compute in transformers rely on training them to emit explicit chain-of-thought tokens before producing an answer. While these methods are powerful, they are limited because they cannot be applied during pretraining and are limited to only serially-generated, natural-language verbalization to scale inference-time compute. In this work, we propose Thoughtbubbles, a transformer variant that natively performs parallel adaptive computation in latent space by learning to fork or delete residual streams. Thus, tokens that require a large amount of computation can form a "bubble" of cloned residuals in the middle of the network for additional thinking. Crucially, this behavior is learned during pretraining with only language modeling loss. Thoughtbubbles outperforms both standard decoder LMs as well as non-adaptive parallel computation approaches on OpenWebText and peS2o perplexity and in zero-shot evaluations such as HellaSwag and LAMBADA after pretraining across 150M to 772M parameter scales. The implicit nature of our method enables adaptive computation to be learned starting at pretraining time, paving the way to unify train and test-time behavior for reasoning models.
Authors: Alex Chen, Renato Geh, Aditya Grover, Guy Van den Broeck, Daniel Israel
Abstract: KV cache compression promises increased throughput and efficiency with negligible loss in performance. While the gains in throughput are indisputable and recent literature has indeed shown minimal degradation on particular benchmarks, in general the consequences of compression in realistic scenarios such as multi-instruction prompting have been insufficiently studied. In this paper, we identify several pitfalls practitioners should be aware of when deploying KV cache compressed LLMs. Importantly, we show that certain instructions degrade much more rapidly with compression, effectively causing them to be completely ignored by the LLM. As a practical example of that, we highlight system prompt leakage as a case study, empirically showing the impact of compression on leakage and general instruction following. We show several factors that play a role in prompt leakage: compression method, instruction order, and KV eviction bias. We then propose simple changes to KV cache eviction policies that can reduce the impact of these factors and improve the overall performance in multi-instruction tasks.
Authors: Siva Viknesh, Amirhossein Arzani
Abstract: Scientific machine learning has enabled the extraction of physical insights from high-dimensional spatiotemporal flow data using linear and nonlinear dimensionality reduction techniques. Despite these advances, achieving interpretability within the latent space remains a challenge. To address this, we propose the DIfferentiable Autoencoding Neural Operator (DIANO), a deterministic autoencoding neural operator framework that constructs physically interpretable latent spaces for both dimensional and geometric reduction, with the provision to enforce differential governing equations directly within the latent space. Built upon neural operators, DIANO compresses high-dimensional input functions into a low-dimensional latent space via spatial coarsening through an encoding neural operator and subsequently reconstructs the original inputs using a decoding neural operator through spatial refinement. We assess DIANO's latent space interpretability and performance in dimensionality reduction against baseline models, including the Convolutional Neural Operator and standard autoencoders. Furthermore, a fully differentiable partial differential equation (PDE) solver is developed and integrated within the latent space, enabling the temporal advancement of both high- and low-fidelity PDEs, thereby embedding physical priors into the latent dynamics. We further investigate various PDE formulations, including the 2D unsteady advection-diffusion and the 3D Pressure-Poisson equation, to examine their influence on shaping the latent flow representations. Benchmark problems considered include flow past a 2D cylinder, flow through a 2D symmetric stenosed artery, and a 3D patient-specific coronary artery. These case studies demonstrate DIANO's capability to solve PDEs within a latent space that facilitates both dimensional and geometrical reduction while allowing latent interpretability.
Authors: Vincent Roulet, Atish Agarwala
Abstract: Training algorithms in deep learning usually treat a mini-batch of samples as a single object; they average gradients over the mini-batch, and then process the average in various ways. Computing other statistics beyond the average may have been seen as prohibitively resource intensive in automatic differentiation (AD) frameworks. We show that this is not the case. Generally, gradient statistics can be implemented through a surgery of the AD graph, which, in some cases, incur almost no computational and memory overheads compared to the mini-batch gradient computation. Additionally, we show that in certain classes of models, including transformers, JAX's vectorization transformation offers a viable implementation for prototyping and experimentation. We then revise our understanding of two nonlinear operations in optimization through the lens of per-example gradient transformations. We first study signSGD and show that the optimal placement of the sign operation in the gradient processing chain is crucial to success and can be predicted with a simple signal-to-noise ratio argument. Next we study per-example variations of the Adam preconditioner, and show that optimization is best served when the preconditioner is dominated by the mean rather than the variance of the gradient distribution - in contrast to conventional wisdom. Overall we demonstrate that per-example gradient information enables new analyses and possibilities for algorithm design.
Authors: Xiaofeng Lin, Hejian Sang, Zhipeng Wang, Xuezhou Zhang
Abstract: A prevailing view holds that supervised fine-tuning (SFT) memorizes training data and fails to generalize, whereas reinforcement learning (RL) attains broader robustness. We revisit this claim through a systematic evaluation on two decision-making benchmarks, Sokoban and General Points, and arrive at a different conclusion. We show that much of SFT's perceived failure stems from frozen-prompt artifacts: when trained on fixed instruction templates, SFT models cling to training semantics rather than adapting to new ones. Introducing prompt diversity during training breaks this shortcut and yields strong generalization to unseen instruction variants without harming in-distribution performance. Beyond instruction shifts, we ask whether SFT can generalize to strictly harder tasks. Here, chain-of-thought (CoT) supervision provides an algorithmic scaffold that markedly improves transfer to more difficult regimes, such as larger Sokoban grids with additional boxes and arithmetic with out-of-distribution values or five-card compositions that increase combinatorial complexity. Finally, combining prompt diversity with CoT achieves the best of both worlds: robust generalization across both instruction-variant and difficulty-variant settings, matching or surpassing RL baselines on our benchmarks while retaining SFT's simplicity and stability. These findings challenge the narrative that SFT is inherently inferior to RL and support a data-centric perspective: with appropriately curated demonstrations, vanilla SFT can generalize as strongly as RL. Code reproducing the results in the paper can be found at: https://github.com/XiaofengLin7/debunking-sft-generalization.
URLs: https://github.com/XiaofengLin7/debunking-sft-generalization.
Authors: Boris N. Slautin, Kamyar Barakati, Hiroshi Funakubo, Maxim A. Ziatdinov, Vladimir V. Shvartsman, Doru C. Lupascu, Sergei V. Kalinin
Abstract: Microscopy techniques generate vast amounts of complex image data that in principle can be used to discover simpler, interpretable, and parsimonious forms to reveal the underlying physical structures, such as elementary building blocks in molecular systems or order parameters and phases in crystalline materials. Variational Autoencoders (VAEs) provide a powerful means of constructing such low-dimensional representations, but their performance heavily depends on multiple non-myopic design choices, which are often optimized through trial-and-error and empirical analysis. To enable automated and unbiased optimization of VAE workflows, we investigated reward-based strategies for evaluating latent space representations. Using Piezoresponse Force Microscopy data as a model system, we examined multiple policies and reward functions that can serve as a foundation for automated optimization. Our analysis shows that approximating the latent space with Gaussian Mixture Models (GMM) and Bayesian Gaussian Mixture Models (BGMM) provides a strong basis for constructing reward functions capable of estimating model efficiency and guiding the search for optimal parsimonious representations.
Authors: Parsa Moradi, Tayyebeh Jahaninezhad, Mohammad Ali Maddah-Ali
Abstract: We introduce the coded-smoothing module, which can be seamlessly integrated into standard training pipelines, both supervised and unsupervised, to regularize learning and improve generalization with minimal computational overhead. In addition, it can be incorporated into the inference pipeline to randomize the model and enhance robustness against adversarial perturbations. The design of coded-smoothing is inspired by general coded computing, a paradigm originally developed to mitigate straggler and adversarial failures in distributed computing by processing linear combinations of the data rather than the raw inputs. Building on this principle, we adapt coded computing to machine learning by designing an efficient and effective regularization mechanism that encourages smoother representations and more generalizable solutions. Extensive experiments on both supervised and unsupervised tasks demonstrate that coded-smoothing consistently improves generalization and achieves state-of-the-art robustness against gradient-based adversarial attacks.
Authors: Buu Phan, Reza Ebrahimi, Sanjay Haresh, Roland Memisevic
Abstract: We study length generalization in sequence models on a composite problem involving both state tracking and associative recall. Prior work finds that recurrent networks handle state tracking well but struggle with recall, whereas Transformers excel at recall yet fail to extend state-tracking capabilities to longer sequences. Motivated by the complementary strengths of these architectures, we construct hybrid models integrating recurrent and attention-based components, and train them on the combined task to evaluate whether both capabilities can be preserved. Our results reveal that, in such hybrids, the Transformer component tends to exploit shortcut solutions, leading to poor length generalization. We identify this shortcut reliance as a key obstacle and propose a simple yet effective training strategy -- delaying the training of the attention layers -- that mitigates this effect and significantly improves length generalization performance. Our experiments show that this approach enables hybrid models to achieve near-perfect accuracy ($>90\%$) on hybrid sequences three times longer than those used during training.
Authors: Debottam Dutta, Chaitanya Amballa, Zhongweiyang Xu, Yu-Lin Wei, Romit Roy Choudhury
Abstract: Variational Auto-Encoders (VAEs) are known to generate blurry and inconsistent samples. One reason for this is the "prior hole" problem. A prior hole refers to regions that have high probability under the VAE's prior but low probability under the VAE's posterior. This means that during data generation, high probability samples from the prior could have low probability under the posterior, resulting in poor quality data. Ideally, a prior needs to be flexible enough to match the posterior while retaining the ability to generate samples fast. Generative models continue to address this tradeoff. This paper proposes to model the prior as an energy-based model (EBM). While EBMs are known to offer the flexibility to match posteriors (and also improving the ELBO), they are traditionally slow in sample generation due to their dependency on MCMC methods. Our key idea is to bring a variational approach to tackle the normalization constant in EBMs, thus bypassing the expensive MCMC approaches. The variational form can be approximated with a sampler network, and we show that such an approach to training priors can be formulated as an alternating optimization problem. Moreover, the same sampler reduces to an implicit variational prior during generation, providing efficient and fast sampling. We compare our Energy-based Variational Latent Prior (EVaLP) method to multiple SOTA baselines and show improvements in image generation quality, reduced prior holes, and better sampling efficiency.
Authors: Trung Hoang Le, Tran Cao Son, Huiping Cao
Abstract: Logical rule-based methods offer an interpretable approach to knowledge graph completion by capturing compositional relationships in the form of human-readable inference rules. However, current approaches typically treat logical rules as universal, assigning each rule a fixed confidence score that ignores query-specific context. This is a significant limitation, as a rule's importance can vary depending on the query. To address this, we introduce SLogic (Subgraph-Informed Logical Rule learning), a novel framework that assigns query-dependent scores to logical rules. The core of SLogic is a scoring function that utilizes the subgraph centered on a query's head entity, allowing the significance of each rule to be assessed dynamically. Extensive experiments on benchmark datasets show that by leveraging local subgraph context, SLogic consistently outperforms state-of-the-art baselines, including both embedding-based and rule-based methods.
Authors: Shutong Wu, Jiawei Zhang
Abstract: Diffusion Large Language Models (DLLMs) have emerged as a new paradigm of language modeling beyond autoregressive next-token prediction. Thanks to their bidirectional attention mechanism, DLLMs are more capable of capturing the connection of context, and thus show unique advantages in challenges like the famous "reversal curse" or learning under data-constrained scenarios. However, this bidirectional nature also brings an obstacle that DLLMs are not inherently compatible with KV Cache, and consequently, the inference efficiency is not competitive compared with autoregressive models. Taking advantage of their inherent capability of multi-token prediction, existing parallel decoding algorithms can speed up the DLLM inference, but at the cost of non-negligible performance degradation. To overcome this challenge, we introduce Free Draft-and-Verification (Freedave), a novel fast sampling algorithm tailored for DLLMs that achieves lossless parallel decoding. Specifically, we propose a pipeline of parallel-decoded candidate generation and verification, which is guaranteed to reproduce the same sequence generated by static sampling, without introducing extra model forward calls. By applying Freedave, the throughput of DLLMs can be boosted up to $2.8\times$ without performance degradation on math reasoning tasks.
Authors: Guy Bar-Shalom, Fabrizio Frasca, Yaniv Galron, Yftah Ziser, Haggai Maron
Abstract: Detecting hallucinations in Large Language Model-generated text is crucial for their safe deployment. While probing classifiers show promise, they operate on isolated layer-token pairs and are LLM-specific, limiting their effectiveness and hindering cross-LLM applications. In this paper, we introduce a novel approach to address these shortcomings. We build on the natural sequential structure of activation data in both axes (layers $\times$ tokens) and advocate treating full activation tensors akin to images. We design ACT-ViT, a Vision Transformer-inspired model that can be effectively and efficiently applied to activation tensors and supports training on data from multiple LLMs simultaneously. Through comprehensive experiments encompassing diverse LLMs and datasets, we demonstrate that ACT-ViT consistently outperforms traditional probing techniques while remaining extremely efficient for deployment. In particular, we show that our architecture benefits substantially from multi-LLM training, achieves strong zero-shot performance on unseen datasets, and can be transferred effectively to new LLMs through fine-tuning. Full code is available at https://github.com/BarSGuy/ACT-ViT.
Authors: Amir Joudaki, Giulia Lanzillotta, Mohammad Samragh Razlighi, Iman Mirzadeh, Keivan Alizadeh, Thomas Hofmann, Mehrdad Farajtabar, Fartash Faghri
Abstract: Deep learning models excel in stationary data but struggle in non-stationary environments due to a phenomenon known as loss of plasticity (LoP), the degradation of their ability to learn in the future. This work presents a first-principles investigation of LoP in gradient-based learning. Grounded in dynamical systems theory, we formally define LoP by identifying stable manifolds in the parameter space that trap gradient trajectories. Our analysis reveals two primary mechanisms that create these traps: frozen units from activation saturation and cloned-unit manifolds from representational redundancy. Our framework uncovers a fundamental tension: properties that promote generalization in static settings, such as low-rank representations and simplicity biases, directly contribute to LoP in continual learning scenarios. We validate our theoretical analysis with numerical simulations and explore architectural choices or targeted perturbations as potential mitigation strategies.
Authors: Zhongxuan Liu, Yue Kang, Thomas C. M. Lee
Abstract: The Lipschitz bandit problem extends stochastic bandits to a continuous action set defined over a metric space, where the expected reward function satisfies a Lipschitz condition. In this work, we introduce a new problem of Lipschitz bandit in the presence of stochastic delayed feedback, where the rewards are not observed immediately but after a random delay. We consider both bounded and unbounded stochastic delays, and design algorithms that attain sublinear regret guarantees in each setting. For bounded delays, we propose a delay-aware zooming algorithm that retains the optimal performance of the delay-free setting up to an additional term that scales with the maximal delay $\tau_{\max}$. For unbounded delays, we propose a novel phased learning strategy that accumulates reliable feedback over carefully scheduled intervals, and establish a regret lower bound showing that our method is nearly optimal up to logarithmic factors. Finally, we present experimental results to demonstrate the efficiency of our algorithms under various delay scenarios.
Authors: Akash Dhasade, Sadegh Farhadkhani, Rachid Guerraoui, Nirupam Gupta, Maxime Jacovella, Anne-Marie Kermarrec, Rafael Pinot
Abstract: Federated inference, in the form of one-shot federated learning, edge ensembles, or federated ensembles, has emerged as an attractive solution to combine predictions from multiple models. This paradigm enables each model to remain local and proprietary while a central server queries them and aggregates predictions. Yet, the robustness of federated inference has been largely neglected, leaving them vulnerable to even simple attacks. To address this critical gap, we formalize the problem of robust federated inference and provide the first robustness analysis of this class of methods. Our analysis of averaging-based aggregators shows that the error of the aggregator is small either when the dissimilarity between honest responses is small or the margin between the two most probable classes is large. Moving beyond linear averaging, we show that problem of robust federated inference with non-linear aggregators can be cast as an adversarial machine learning problem. We then introduce an advanced technique using the DeepSet aggregation model, proposing a novel composition of adversarial training and test-time robust aggregation to robustify non-linear aggregators. Our composition yields significant improvements, surpassing existing robust aggregation methods by 4.7 - 22.2% in accuracy points across diverse benchmarks.
Authors: Mohammad Rostami, Atik Faysal, Reihaneh Gh. Roshan, Huaxia Wang, Nikhil Muralidhar, Yu-Dong Yao
Abstract: Large Language Models (LLMs) can perform Automatic Modulation Classification (AMC) in an open-set manner without LLM fine-tuning when equipped with carefully designed in-context prompts~\cite{rostami2025plug}. Building on this prior work, we target the practical bottlenecks of long prompt contexts and large model sizes that impede in-the-loop deployment. We present Discretized Statistics in-Context Automatic Modulation Classification (DiSC-AMC), a token- and parameter-efficient variant that: (i) discretizes higher-order statistics and cumulants into compact symbolic tokens, (ii) prunes the exemplar list via a lightweight k-top neural prefilter and filters misleading/low-impact features using rationales extracted from prior LLM responses, and (iii) enforces label-only predictions through a calibrated prompt template. Together, these changes reduce both input/output tokens and the model parameter footprint by more than half while maintaining competitive accuracy. On synthetic AMC with ten modulation types under noise, a 7B \textit{DeepSeek-R1-Distill-Qwen} baseline achieves 5.2% accuracy, whereas our system, using an approximately 5B-parameter \textit{Gemini-2.5-Flash}~\cite{comanici2025gemini} model, attains 45.5% accuracy. These results demonstrate that careful discretization and context selection can cut inference cost by over 2x while preserving the advantages of prompt-based AMC and enabling practical in-the-loop use.
Authors: Wei Shen, Han Wang, Haoyu Li, Huan Zhang
Abstract: Large Language Models (LLMs) have been demonstrating increasingly strong reasoning capability with their chain-of-thoughts (CoT), which are routinely used by humans to judge answer quality. This reliance creates a powerful yet fragile basis for trust. In this work, we present an urgent but underexplored risk: attackers could induce LLMs to generate incorrect yet coherent CoTs that look plausible at first glance, while leaving no obvious manipulated traces, closely resembling the reasoning exhibited in benign scenarios. In particular, we introduce DecepChain, a novel backdoor attack paradigm that steers models to generate reasoning that appears benign while yielding incorrect conclusions eventually. At a high level, DecepChain exploits LLMs' own hallucination and amplifies it by fine-tuning on naturally erroneous rollouts generated by the model itself and then reinforces it via Group Relative Policy Optimization (GRPO) with a flipped reward on triggered inputs, plus a plausibility regularizer to preserve fluent, benign-looking reasoning. Across multiple benchmarks and models, DecepChain achieves high attack success rates with minimal performance degradation on benign scenarios. Moreover, a careful human evaluation showed that the human raters struggle to distinguish our manipulated reasoning processes from benign ones, underscoring our attack's stealthiness. Left unaddressed, this stealthy failure mode can quietly corrupt LLM answers and undermine human trust for LLM reasoning, emphasizing the urgency for future research into this alarming risk. Project page: https://decepchain.github.io/.
Authors: A. K. Hamisu (Abubakar Hamisu Kamagata), K. Jasleen
Abstract: The exponential growth of internet generated data has fueled advancements in artificial intelligence (AI), machine learning (ML), and deep learning (DL) for extracting actionable insights in marketing,telecom, and health sectors. This chapter explores ML applications across three domains namely healthcare, marketing, and telecommunications, with a primary focus on developing a framework for optimal ML algorithm selection. In healthcare, the framework addresses critical challenges such as cardiovascular disease prediction accounting for 28.1% of global deaths and fetal health classification into healthy or unhealthy states, utilizing three datasets. ML algorithms are categorized into eager, lazy, and hybrid learners, selected based on dataset attributes, performance metrics (accuracy, precision, recall), and Akaike Information Criterion (AIC) scores. For validation, eight datasets from the three sectors are employed in the experiments. The key contribution is a recommendation framework that identifies the best ML model according to input attributes, balancing performance evaluation and model complexity to enhance efficiency and accuracy in diverse real-world applications. This approach bridges gaps in automated model selection, offering practical implications for interdisciplinary ML deployment.
Authors: Yiping Ji, James Martens, Jianqiao Zheng, Ziqin Zhou, Peyman Moghadam, Xinyu Zhang, Hemanth Saratchandran, Simon Lucey
Abstract: Transformers have achieved remarkable success across a wide range of applications, a feat often attributed to their scalability. Yet training them without skip (residual) connections remains notoriously difficult. While skips stabilize optimization, they also disrupt the hierarchical structure of representations, raising the long-standing question of whether transformers can be trained efficiently without them. In this work, we address this problem by analyzing the Jacobian of a skipless transformer block, showing why skips improve conditioning and revealing that their stabilization benefits can be recovered through a principled initialization strategy. Building on this insight, we introduce the first method that enables stable and efficient training of skipless transformers without altering the standard architecture. We validate our approach on Vision Transformers (ViTs) in both supervised and self-supervised settings, demonstrating that skipless ViTs trained with our initialization overcome the usual optimization barriers, learn richer hierarchical representations, and outperform strong baselines, that incorporate skip connections, on dense prediction benchmarks. These results show that skip connections are not a fundamental requirement for training ViTs and open new avenues for hierarchical representation learning in vision models.
Authors: Huitao Yang, Guanting Chen
Abstract: As large language models (LLMs) continue to grow in capability, there is increasing interest in incorporating them into decision-making tasks. A common pipeline for this is Decision-Pretrained Transformers (DPTs). However, existing training methods for DPTs often struggle to generalize beyond their pretraining data distribution. To explore mitigation of this limitation, we propose in-context curiosity -- a lightweight, exploration-inspired regularizer for offline pretraining -- and introduce the Prediction-Powered Transformer (PPT) framework. PPT augments DPT with an auxiliary reward predictor, using prediction error as an intrinsic curiosity signal to encourage broader exploration during training. In proof-of-concept experiments on Gaussian multi-armed bandits, PPT shows improved robustness: it moderates the performance degradation observed in DPT when test environments exhibit higher variance in reward, particularly when pretraining data has limited diversity. While the quality of offline data remain fundamental, our preliminary results suggest that curiosity-driven pretraining offers a promising direction for enhancing out-of-distribution generalization in in-context RL agents.
Authors: Alperen Tercan, Necmiye Ozay
Abstract: Constrained Markov Decision Processes (CMDPs) are notably more complex to solve than standard MDPs due to the absence of universally optimal policies across all initial state distributions. This necessitates re-solving the CMDP whenever the initial distribution changes. In this work, we analyze how the optimal value of CMDPs varies with different initial distributions, deriving bounds on these variations using duality analysis of CMDPs and perturbation analysis in linear programming. Moreover, we show how such bounds can be used to analyze the regret of a given policy due to unknown variations of the initial distribution.
Authors: Rohit Dilip, Evan Zhang, Ayush Varshney, David Van Valen
Abstract: Protein structure tokenizers enable the creation of multimodal models of protein structure, sequence, and function. Current approaches to protein structure tokenization rely on bespoke components that are invariant to spatial symmetries, but that are challenging to optimize and scale. We present Kanzi, a flow-based tokenizer for tokenization and generation of protein structures. Kanzi consists of a diffusion autoencoder trained with a flow matching loss. We show that this approach simplifies several aspects of protein structure tokenizers: frame-based representations can be replaced with global coordinates, complex losses are replaced with a single flow matching loss, and SE(3)-invariant attention operations can be replaced with standard attention. We find that these changes stabilize the training of parameter-efficient models that outperform existing tokenizers on reconstruction metrics at a fraction of the model size and training cost. An autoregressive model trained with Kanzi outperforms similar generative models that operate over tokens, although it does not yet match the performance of state-of-the-art continuous diffusion models. Code is available here: https://github.com/rdilip/kanzi/.
Authors: Tong Chen, Yinuo Zhang, Pranam Chatterjee
Abstract: Designing sequences that satisfy multiple, often conflicting, objectives is a central challenge in therapeutic and biomolecular engineering. Existing generative frameworks largely operate in continuous spaces with single-objective guidance, while discrete approaches lack guarantees for multi-objective Pareto optimality. We introduce AReUReDi (Annealed Rectified Updates for Refining Discrete Flows), a discrete optimization algorithm with theoretical guarantees of convergence to the Pareto front. Building on Rectified Discrete Flows (ReDi), AReUReDi combines Tchebycheff scalarization, locally balanced proposals, and annealed Metropolis-Hastings updates to bias sampling toward Pareto-optimal states while preserving distributional invariance. Applied to peptide and SMILES sequence design, AReUReDi simultaneously optimizes up to five therapeutic properties (including affinity, solubility, hemolysis, half-life, and non-fouling) and outperforms both evolutionary and diffusion-based baselines. These results establish AReUReDi as a powerful, sequence-based framework for multi-property biomolecule generation.
Authors: Gautham Bekal, Ashish Pujari, Scott David Kelly
Abstract: Continual learning involves learning from a stream of data without repetition of data points, a scenario that is inherently complex due to distributional shift across tasks. We propose a query-only attention mechanism that discards keys and values, yet preserves the core inductive bias of transformer architectures. In continual learning scenarios, this simplified mechanism significantly mitigates both loss of plasticity and catastrophic forgetting, outperforming baselines such as selective re-initialization. We establish a conceptual link between query-only attention, full transformer attention, and model agnostic meta-learning, framing them as instances of meta-learning. We further provide intuition for why query-based models and attention networks help preserve plasticity in continual settings. Finally, through preliminary Hessian spectrum analysis, we observe that models maintaining higher curvature rank across tasks tend to retain plasticity. Our findings suggest that full attention may not be essential for capturing the benefits of meta-learning in continual learning.
Authors: Andy Yang, Christopher Watson, Anton Xue, Satwik Bhattamishra, Jose Llarena, William Merrill, Emile Dos Santos Ferreira, Anej Svete, David Chiang
Abstract: We present the transformer cookbook: a collection of techniques for directly encoding algorithms into a transformer's parameters. This work addresses the steep learning curve of such endeavors, a problem exacerbated by a fragmented literature where key results are scattered across numerous papers. In particular, we synthesize this disparate body of findings into a curated set of recipes that demonstrate how to implement everything from basic arithmetic in feed-forward layers to complex data routing via self-attention. Our mise en place of formulations is for both newcomers seeking an accessible entry point and experts in need of a systematic reference. This unified presentation of transformer constructions provides a foundation for future work spanning theoretical research in computational complexity to empirical investigations in architecture design and interpretability.
Authors: Carlo Bosio, Matteo Guarrera, Alberto Sangiovanni-Vincentelli, Mark W. Mueller
Abstract: Large Language models (LLMs) have shown promise as generators of symbolic control policies, producing interpretable program-like representations through iterative search. However, these models are not capable of separating the functional structure of a policy from the numerical values it is parametrized by, thus making the search process slow and inefficient. We propose a hybrid approach that decouples structural synthesis from parameter optimization by introducing an additional optimization layer for local parameter search. In our method, the numerical parameters of LLM-generated programs are extracted and optimized numerically to maximize task performance. With this integration, an LLM iterates over the functional structure of programs, while a separate optimization loop is used to find a locally optimal set of parameters accompanying candidate programs. We evaluate our method on a set of control tasks, showing that it achieves higher returns and improved sample efficiency compared to purely LLM-guided search. We show that combining symbolic program synthesis with numerical optimization yields interpretable yet high-performing policies, bridging the gap between language-model-guided design and classical control tuning. Our code is available at https://sites.google.com/berkeley.edu/colmo.
Authors: Minseok Jeon, Seunghyun Park
Abstract: We present GDLNN, a new graph machine learning architecture, for graph classification tasks. GDLNN combines a domain-specific programming language, called GDL, with neural networks. The main strength of GDLNN lies in its GDL layer, which generates expressive and interpretable graph representations. Since the graph representation is interpretable, existing model explanation techniques can be directly applied to explain GDLNN's predictions. Our evaluation shows that the GDL-based representation achieves high accuracy on most graph classification benchmark datasets, outperforming dominant graph learning methods such as GNNs. Applying an existing model explanation technique also yields high-quality explanations of GDLNN's predictions. Furthermore, the cost of GDLNN is low when the explanation cost is included.
Authors: Dom CP Marticorena, Chris Wissmann, Zeyu Lu, Dennis L Barbour
Abstract: While adaptive experimental design has outgrown one-dimensional, staircase-based adaptations, most cognitive experiments still control a single factor and summarize performance with a scalar. We show a validation of a Bayesian, two-axis, active-classification approach, carried out in an immersive virtual testing environment for a 5-by-5 working-memory reconstruction task. Two variables are controlled: spatial load L (number of occupied tiles) and feature-binding load K (number of distinct colors) of items. Stimulus acquisition is guided by posterior uncertainty of a nonparametric Gaussian Process (GP) probabilistic classifier, which outputs a surface over (L, K) rather than a single threshold or max span value. In a young adult population, we compare GP-driven Adaptive Mode (AM) with a traditional adaptive staircase Classic Mode (CM), which varies L only at K = 3. Parity between the methods is achieved for this cohort, with an intraclass coefficient of 0.755 at K = 3. Additionally, AM reveals individual differences in interactions between spatial load and feature binding. AM estimates converge more quickly than other sampling strategies, demonstrating that only about 30 samples are required for accurate fitting of the full model.
Authors: Bilge Acun, Prasoon Sinha, Newsha Ardalani, Sangmin Bae, Alicia Golden, Chien-Yu Lin, Meghana Madhyastha, Fei Sun, Neeraja J. Yadwadkar, Carole-Jean Wu
Abstract: Hybrid model architectures that combine computational primitives (e.g., Attention, MLP) in different ratios have shown promising performance beyond Transformers. Some studies have shown that different interleavings of primitives can affect model quality as well. However, prior works explore the hybrid model architecture design space manually. Due to the large design space and training costs, discovering hybrid models that combine key computational primitives for pre-training is challenging. In this work, we take a principled approach in designing a modular hybrid model architecture search framework -- Composer. Composer explores model architectures at a small scale and extrapolates the top-performing model architectures to a larger scale using our proposed scaling strategies. Using Composer, we discover new hybrid LLM architectures that outperform Llama 3.2. Compared to Llama 3.2 and previous state-of-the-art baselines, the new model architectures consistently reduce validation loss at parameter scales of 350M-3B and improve evaluation accuracy on the downstream tasks by up to 2.8-8.3% (1.1-3.1% on average) while improving both training and inference efficiency.
Authors: Marawan Gamal Abdel Hameed, Guillaume Rabusseau
Abstract: Tensor networks (TNs) enable compact representations of large tensors through shared parameters. Their use in probabilistic modeling is particularly appealing, as probabilistic tensor networks (PTNs) allow for tractable computation of marginals. However, existing approaches for learning parameters of PTNs are either computationally demanding and not fully compatible with automatic differentiation frameworks, or numerically unstable. In this work, we propose a conceptually simple approach for learning PTNs efficiently, that is numerically stable. We show our method provides significant improvements in time and space complexity, achieving 10x reduction in latency for generative modeling on the MNIST dataset. Furthermore, our approach enables learning of distributions with 10x more variables than previous approaches when applied to a variety of density estimation benchmarks. Our code is publicly available at github.com/marawangamal/ptn.
Authors: Chi Ho Leung, Philip E. Par\'e
Abstract: We propose the multistep port-Hamiltonian Gaussian process (MS-PHS GP) to learn physically consistent continuous-time dynamics and a posterior over the Hamiltonian from noisy, irregularly-sampled trajectories. By placing a GP prior on the Hamiltonian surface $H$ and encoding variable-step multistep integrator constraints as finite linear functionals, MS-PHS GP enables closed-form conditioning of both the vector field and the Hamiltonian surface without latent states, while enforcing energy balance and passivity by design. We state a finite-sample vector-field bound that separates the estimation and variable-step discretization terms. Lastly, we demonstrate improved vector-field recovery and well-calibrated Hamiltonian uncertainty on mass-spring, Van der Pol, and Duffing benchmarks.
Authors: Ayush Jain, Andrea Montanari, Eren Sasoglu
Abstract: State-of-the-art machine learning often follows a two-stage process: $(i)$~pre-training on large, general-purpose datasets; $(ii)$~fine-tuning on task-specific data. In fine-tuning, selecting training examples that closely reflect the target distribution is crucial. However, it is often the case that only a few samples are available from the target distribution. Existing data selection methods treat these target samples as a validation set and estimate the effect of adding or removing a single sample from the training pool by performing inference on the validation set. We propose a simpler and faster alternative that inverts the usual role of train and validation: we perform inference on the training pool before and after fine-tuning on the validation set. We then select samples whose predictions change the most. Our key insight is that the training samples most affected by fine-tuning on a small validation set tend to be the most beneficial for reducing test loss on the target distribution. Experiments on instruction tuning and named entity recognition tasks show that, in most cases, our method achieves lower test log-loss than state-of-the-art approaches. We support our findings with theoretical analysis.
Authors: Robert Kasumba, Zeyu Lu, Dom CP Marticorena, Mingyang Zhong, Paul Beggs, Anja Pahor, Geetha Ramani, Imani Goffney, Susanne M Jaeggi, Aaron R Seitz, Jacob R Gardner, Dennis L Barbour
Abstract: Estimation (IMLE). DLVM integrates observations across multiple executive function tasks and individuals, allowing parameter estimation even under sparse or incomplete data conditions. DLVM consistently outperformed IMLE, especially under with smaller amounts of data, and converges faster to highly accurate estimates of the true distributions. In a second set of analyses, DALE adaptively guided sampling to maximize information gain, outperforming random sampling and fixed test batteries, particularly within the first 80 trials. These findings establish the advantages of combining DLVMs cross-task inference with DALEs optimal adaptive sampling, providing a principled basis for more efficient cognitive assessments.
Authors: Zhouyang Liu, Yixin Chen, Ning Liu, Jiezhong He, Dongsheng Li
Abstract: Graph similarity is critical in graph-related tasks such as graph retrieval, where metrics like maximum common subgraph (MCS) and graph edit distance (GED) are commonly used. However, exact computations of these metrics are known to be NP-Hard. Recent neural network-based approaches approximate the similarity score in embedding spaces to alleviate the computational burden, but they either involve expensive pairwise node comparisons or fail to effectively utilize structural and scale information of graphs. To tackle these issues, we propose a novel geometric-based graph embedding method called Graph2Region (G2R). G2R represents nodes as closed regions and recovers their adjacency patterns within graphs in the embedding space. By incorporating the node features and adjacency patterns of graphs, G2R summarizes graph regions, i.e., graph embeddings, where the shape captures the underlying graph structures and the volume reflects the graph size. Consequently, the overlap between graph regions can serve as an approximation of MCS, signifying similar node regions and adjacency patterns. We further analyze the relationship between MCS and GED and propose using disjoint parts as a proxy for GED similarity. This analysis enables concurrent computation of MCS and GED, incorporating local and global structural information. Experimental evaluation highlights G2R's competitive performance in graph similarity computation. It achieves up to a 60.0\% relative accuracy improvement over state-of-the-art methods in MCS similarity learning, while maintaining efficiency in both training and inference. Moreover, G2R showcases remarkable capability in predicting both MCS and GED similarities simultaneously, providing a holistic assessment of graph similarity. Code available at https://github.com/liuzhouyang/Graph2Region.
Authors: Hongkang Li, Songtao Lu, Xiaodong Cui, Pin-Yu Chen, Meng Wang
Abstract: The Mamba model has gained significant attention for its computational advantages over Transformer-based models, while achieving comparable performance across a wide range of language tasks. Like Transformers, Mamba exhibits in-context learning (ICL) capabilities, i.e., making predictions for new tasks based on a prompt containing input-label pairs and a query, without requiring fine-tuning. Despite its empirical success, the theoretical understanding of Mamba remains limited, largely due to the nonlinearity introduced by its gating mechanism. To the best of our knowledge, this paper presents the first theoretical analysis of the training dynamics of a one-layer Mamba model, which consists of a linear attention component followed by a nonlinear gating layer, and its ICL generalization on unseen binary classification tasks, even when the prompt includes additive outliers. Our analysis shows that Mamba leverages the linear attention layer to select informative context examples and uses the nonlinear gating layer to suppress the influence of outliers. By establishing and comparing to the analysis of linear Transformers under the same setting, we show that although Mamba may require more training iterations to converge, it maintains accurate predictions even when the proportion of outliers exceeds the threshold that a linear Transformer can tolerate. These theoretical findings are supported by empirical experiments.
Authors: Zhouyang Liu, Ning Liu, Yixin Chen, Jiezhong He, Menghan Jia, Dongsheng Li
Abstract: Subgraph matching is challenging as it necessitates time-consuming combinatorial searches. Recent Graph Neural Network (GNN)-based approaches address this issue by employing GNN encoders to extract graph information and hinge distance measures to ensure containment constraints in the embedding space. These methods significantly shorten the response time, making them promising solutions for subgraph retrieval. However, they suffer from scale differences between graph pairs during encoding, as they focus on feature counts but overlook the relative positions of features within node-rooted subtrees, leading to disturbed containment constraints and false predictions. Additionally, their hinge distance measures lack discriminative power for matched graph pairs, hindering ranking applications. We propose NC-Iso, a novel GNN architecture for neural subgraph matching. NC-Iso preserves the relative positions of features by building the hierarchical dependencies between adjacent echelons within node-rooted subtrees, ensuring matched graph pairs maintain consistent hierarchies while complying with containment constraints in feature counts. To enhance the ranking ability for matched pairs, we introduce a novel similarity dominance ratio-enhanced measure, which quantifies the dominance of similarity over dissimilarity between graph pairs. Empirical results on nine datasets validate the effectiveness, generalization ability, scalability, and transferability of NC-Iso while maintaining time efficiency, offering a more discriminative neural subgraph matching solution for subgraph retrieval. Code available at https://github.com/liuzhouyang/NC-Iso.
Authors: Xudong Zhu, Mohammad Mahdi Khalili, Zhihui Zhu
Abstract: Sparse autoencoders (SAEs) have emerged as powerful techniques for interpretability of large language models (LLMs), aiming to decompose hidden states into meaningful semantic features. While several SAE variants have been proposed, there remains no principled framework to derive SAEs from the original dictionary learning formulation. In this work, we introduce such a framework by unrolling the proximal gradient method for sparse coding. We show that a single-step update naturally recovers common SAE variants, including ReLU, JumpReLU, and TopK. Through this lens, we reveal a fundamental limitation of existing SAEs: their sparsity-inducing regularizers enforce non-negativity, preventing a single feature from representing bidirectional concepts (e.g., male vs. female). This structural constraint fragments semantic axes into separate, redundant features, limiting representational completeness. To address this issue, we propose AbsTopK SAE, a new variant derived from the $\ell_0$ sparsity constraint that applies hard thresholding over the largest-magnitude activations. By preserving both positive and negative activations, AbsTopK uncovers richer, bidirectional conceptual representations. Comprehensive experiments across four LLMs and seven probing and steering tasks show that AbsTopK improves reconstruction fidelity, enhances interpretability, and enables single features to encode contrasting concepts. Remarkably, AbsTopK matches or even surpasses the Difference-in-Mean method, a supervised approach that requires labeled data for each concept and has been shown in prior work to outperform SAEs.
Authors: Kairun Zhang, Haoyu Li, Yanjun Zhao, Yifan Sun, Huan Zhang
Abstract: Zeroth-order optimizers have recently emerged as a practical approach for fine-tuning large language models (LLMs), significantly reducing GPU memory consumption compared to traditional first-order methods. Yet, existing zeroth-order methods rely on hand-crafted, static sampling strategies that are not adaptable to model-specific structures. To address this, we propose ZO Fine-tuner, a learning-based zeroth-order optimizer for LLMs that automatically learns efficient perturbation strategies through a compact and memory-efficient design. Crucially, our approach is motivated by the observation that only a small number of foundation models and their derivatives are widely adopted in practice. Therefore, learning the optimizer once for a given LLM and reusing it across diverse downstream tasks is both feasible and highly desirable. Accordingly, ZO Fine-tuner is designed to scale learning to learn (L2L) to the foundation-model era by supporting one-time training per LLM with minimal overhead. Experiments on 4 LLMs and 7 datasets show that ZO Fine-tuner outperforms prior zeroth-order baselines in 82.1\% of task-model combinations, thereby demonstrating strong performance and scalability for efficient LLM fine-tuning. Our code is available at https://github.com/ASTRAL-Group/ZO_Fine_tuner.git.
Authors: Seongjae Kang, Dong Bok Lee, Juho Jung, Dongseop Kim, Won Hwa Kim, Sunghoon Joo
Abstract: Automated structured radiology report generation (SRRG) from chest X-ray images offers significant potential to reduce workload of radiologists by generating reports in structured formats that ensure clarity, consistency, and adherence to clinical reporting standards. While radiologists effectively utilize available clinical contexts in their diagnostic reasoning, existing SRRG systems overlook these essential elements. This fundamental gap leads to critical problems including temporal hallucinations when referencing non-existent clinical contexts. To address these limitations, we propose contextualized SRRG (C-SRRG) that comprehensively incorporates rich clinical context for SRRG. We curate C-SRRG dataset by integrating comprehensive clinical context encompassing 1) multi-view X-ray images, 2) clinical indication, 3) imaging techniques, and 4) prior studies with corresponding comparisons based on patient histories. Through extensive benchmarking with state-of-the-art multimodal large language models, we demonstrate that incorporating clinical context with the proposed C-SRRG significantly improves report generation quality. We publicly release dataset, code, and checkpoints to facilitate future research for clinically-aligned automated RRG at https://github.com/vuno/contextualized-srrg.
Authors: Suhyeon Lee, Jong Chul Ye
Abstract: Despite the recent progress, reinforcement learning (RL)-based fine-tuning of diffusion models often struggles with generalization, composability, and robustness against reward hacking. Recent studies have explored prompt refinement as a modular alternative, but most adopt a feed-forward approach that applies a single refined prompt throughout the entire sampling trajectory, thereby failing to fully leverage the sequential nature of reinforcement learning. To address this, here we introduce PromptLoop, a plug-and-play RL framework that incorporates latent feedback into step-wise prompt refinement. Rather than modifying diffusion model weights, a multimodal large language model (MLLM) is trained with RL to iteratively update prompts based on intermediate latent states of diffusion models. This design achieves a structural analogy to the Diffusion RL approach, while retaining the flexibility and generality of prompt-based alignment. Extensive experiments across diverse reward functions and diffusion backbones demonstrate that PromptLoop (i) achieves effective reward optimization, (ii) generalizes seamlessly to unseen models, (iii) composes orthogonally with existing alignment methods, and (iv) mitigates over-optimization and reward hacking.
Authors: Suorong Yang, Jie Zong, Lihang Wang, Ziheng Qin, Hai Gan, Pengfei Zhou, Kai Wang, Yang You, Furao Shen
Abstract: Data augmentation has been widely employed to improve the generalization of deep neural networks. Most existing methods apply fixed or random transformations. However, we find that sample difficulty evolves along with the model's generalization capabilities in dynamic training environments. As a result, applying uniform or stochastic augmentations, without accounting for such dynamics, can lead to a mismatch between augmented data and the model's evolving training needs, ultimately degrading training effectiveness. To address this, we introduce SADA, a Sample-Aware Dynamic Augmentation that performs on-the-fly adjustment of augmentation strengths based on each sample's evolving influence on model optimization. Specifically, we estimate each sample's influence by projecting its gradient onto the accumulated model update direction and computing the temporal variance within a local training window. Samples with low variance, indicating stable and consistent influence, are augmented more strongly to emphasize diversity, while unstable samples receive milder transformations to preserve semantic fidelity and stabilize learning. Our method is lightweight, which does not require auxiliary models or policy tuning. It can be seamlessly integrated into existing training pipelines as a plug-and-play module. Experiments across various benchmark datasets and model architectures show consistent improvements of SADA, including +7.3\% on fine-grained tasks and +4.3\% on long-tailed datasets, highlighting the method's effectiveness and practicality.
Authors: Harbir Antil, Deepanshu Verma
Abstract: Neural network training relies on gradient computation through backpropagation, yet memory requirements for storing layer activations present significant scalability challenges. We present the first adaptation of control-theoretic matrix sketching to neural network layer activations, enabling memory-efficient gradient reconstruction in backpropagation. This work builds on recent matrix sketching frameworks for dynamic optimization problems, where similar state trajectory storage challenges motivate sketching techniques. Our approach sketches layer activations using three complementary sketch matrices maintained through exponential moving averages (EMA) with adaptive rank adjustment, automatically balancing memory efficiency against approximation quality. Empirical evaluation on MNIST, CIFAR-10, and physics-informed neural networks demonstrates a controllable accuracy-memory tradeoff. We demonstrate a gradient monitoring application on MNIST showing how sketched activations enable real-time gradient norm tracking with minimal memory overhead. These results establish that sketched activation storage provides a viable path toward memory-efficient neural network training and analysis.
Authors: Weilin Xin, Chenyu Huang, Peilin Li, Jing Zhong, Jiawei Yao
Abstract: With rapid urbanization, predicting urban microclimates has become critical, as it affects building energy demand and public health risks. However, existing generative and homogeneous graph approaches fall short in capturing physical consistency, spatial dependencies, and temporal variability. To address this, we introduce UrbanGraph, a physics-informed framework integrating heterogeneous and dynamic spatio-temporal graphs. It encodes key physical processes -- vegetation evapotranspiration, shading, and convective diffusion -- while modeling complex spatial dependencies among diverse urban entities and their temporal evolution. We evaluate UrbanGraph on UMC4/12, a physics-based simulation dataset covering diverse urban configurations and climates. Results show that UrbanGraph improves $R^2$ by up to 10.8% and reduces FLOPs by 17.0% over all baselines, with heterogeneous and dynamic graphs contributing 3.5% and 7.1% gains. Our dataset provides the first high-resolution benchmark for spatio-temporal microclimate modeling, and our method extends to broader urban heterogeneous dynamic computing tasks.
Authors: Rachita Mondal, Mert Indibi, Tapabrata Maiti, Selin Aviyente
Abstract: Anomaly detection in spatiotemporal data is a challenging problem encountered in a variety of applications, including video surveillance, medical imaging data, and urban traffic monitoring. Existing anomaly detection methods focus mainly on point anomalies and cannot deal with temporal and spatial dependencies that arise in spatio-temporal data. Tensor-based anomaly detection methods have been proposed to address this problem. Although existing methods can capture dependencies across different modes, they are primarily supervised and do not account for the specific structure of anomalies. Moreover, these methods focus mainly on extracting anomalous features without providing any statistical confidence. In this paper, we introduce an unsupervised tensor-based anomaly detection method that simultaneously considers the sparse and spatiotemporally smooth nature of anomalies. The anomaly detection problem is formulated as a regularized robust low-rank + sparse tensor decomposition where the total variation of the tensor with respect to the underlying spatial and temporal graphs quantifies the spatiotemporal smoothness of the anomalies. Once the anomalous features are extracted, we introduce a statistical anomaly scoring framework that accounts for local spatio-temporal dependencies. The proposed framework is evaluated on both synthetic and real data.
Authors: Mingyuan Xia, Chunxu Zhang, Zijian Zhang, Hao Miao, Qidong Liu, Yuanshao Zhu, Bo Yang
Abstract: Temporal non-stationarity, the phenomenon that time series distributions change over time, poses fundamental challenges to reliable time series forecasting. Intuitively, the complex time series can be decomposed into two factors, \ie time-invariant and time-varying components, which indicate static and dynamic patterns, respectively. Nonetheless, existing methods often conflate the time-varying and time-invariant components, and jointly learn the combined long-term patterns and short-term fluctuations, leading to suboptimal performance facing distribution shifts. To address this issue, we initiatively propose a lightweight static-dynamic decomposition framework, TimeEmb, for time series forecasting. TimeEmb innovatively separates time series into two complementary components: (1) time-invariant component, captured by a novel global embedding module that learns persistent representations across time series, and (2) time-varying component, processed by an efficient frequency-domain filtering mechanism inspired by full-spectrum analysis in signal processing. Experiments on real-world datasets demonstrate that TimeEmb outperforms state-of-the-art baselines and requires fewer computational resources. We conduct comprehensive quantitative and qualitative analyses to verify the efficacy of static-dynamic disentanglement. This lightweight framework can also improve existing time-series forecasting methods with simple integration. To ease reproducibility, the code is available at https://github.com/showmeon/TimeEmb.
Authors: Aopeng Wang, Ke Deng, Yongli Ren, Jun Luo
Abstract: The main challenge of continual learning is \textit{catastrophic forgetting}. Because of processing data in one pass, online continual learning (OCL) is one of the most difficult continual learning scenarios. To address catastrophic forgetting in OCL, some existing studies use a rehearsal buffer to store samples and replay them in the later learning process, other studies do not store samples but assume a sequence of learning tasks so that the task identities can be explored. However, storing samples may raise data security or privacy concerns and it is not always possible to identify the boundaries between learning tasks in one pass of data processing. It motivates us to investigate rehearsal-free and task-free OCL (F2OCL). By integrating prompt learning with an NCM classifier, this study has effectively tackled catastrophic forgetting without storing samples and without usage of task boundaries or identities. The extensive experimental results on two benchmarks have demonstrated the effectiveness of the proposed method.
Authors: Jennifer Lin
Abstract: We provide evidence that eigenanalysis of the empirical neural tangent kernel (eNTK) can surface the features used by trained neural networks. Across two standard toy models for mechanistic interpretability, Toy Models of Superposition (TMS) and a 1-layer MLP trained on modular addition, we find that the eNTK exhibits sharp spectral cliffs whose top eigenspaces align with ground-truth features. In TMS, the eNTK recovers the ground-truth features in both the sparse (high superposition) and dense regimes. In modular arithmetic, the eNTK can be used to recover Fourier feature families. Moreover, we provide evidence that a layerwise eNTK localizes features to specific layers and that the evolution of the eNTK eigenspectrum can be used to diagnose the grokking phase transition. These results suggest that eNTK analysis may provide a practical handle for feature discovery and for detecting phase changes in small models.
Authors: Kai Gu, Weishi Shi
Abstract: Deep neural networks frequently exploit shortcut features, defined as incidental correlations between inputs and labels without causal meaning. Shortcut features undermine robustness and reduce reliability under distribution shifts. In continual learning (CL), the consequences of shortcut exploitation can persist and intensify: weights inherited from earlier tasks bias representation reuse toward whatever features most easily satisfied prior labels, mirroring the cognitive Einstellung effect, a phenomenon where past habits block optimal solutions. Whereas catastrophic forgetting erodes past skills, shortcut-induced rigidity throttles the acquisition of new ones. We introduce the Einstellung Rigidity Index (ERI), a compact diagnostic that disentangles genuine transfer from cue-inflated performance using three interpretable facets: (i) Adaptation Delay (AD), (ii) Performance Deficit (PD), and (iii) Relative Suboptimal Feature Reliance (SFR_rel). On a two-phase CIFAR-100 CL benchmark with a deliberately spurious magenta patch in Phase 2, we evaluate Naive fine-tuning (SGD), online Elastic Weight Consolidation (EWC_on), Dark Experience Replay (DER++), Gradient Projection Memory (GPM), and Deep Generative Replay (DGR). Across these continual learning methods, we observe that CL methods reach accuracy thresholds earlier than a Scratch-T2 baseline (negative AD) but achieve slightly lower final accuracy on patched shortcut classes (positive PD). Masking the patch improves accuracy for CL methods while slightly reducing Scratch-T2, yielding negative SFR_rel. This pattern indicates the patch acted as a distractor for CL models in this setting rather than a helpful shortcut.
Authors: Jing Wang, Wonho Bae, Jiahong Chen, Wenxu Wang, Junhyug Noh
Abstract: Recent work on latent diffusion models (LDMs) has focused almost exclusively on generative tasks, leaving their potential for discriminative transfer largely unexplored. We introduce Discriminative Vicinity Diffusion (DVD), a novel LDM-based framework for a more practical variant of source-free domain adaptation (SFDA): the source provider may share not only a pre-trained classifier but also an auxiliary latent diffusion module, trained once on the source data and never exposing raw source samples. DVD encodes each source feature's label information into its latent vicinity by fitting a Gaussian prior over its k-nearest neighbors and training the diffusion network to drift noisy samples back to label-consistent representations. During adaptation, we sample from each target feature's latent vicinity, apply the frozen diffusion module to generate source-like cues, and use a simple InfoNCE loss to align the target encoder to these cues, explicitly transferring decision boundaries without source access. Across standard SFDA benchmarks, DVD outperforms state-of-the-art methods. We further show that the same latent diffusion module enhances the source classifier's accuracy on in-domain data and boosts performance in supervised classification and domain generalization experiments. DVD thus reinterprets LDMs as practical, privacy-preserving bridges for explicit knowledge transfer, addressing a core challenge in source-free domain adaptation that prior methods have yet to solve.
Authors: M. T. Furqon, Mahardhika Pratama, Igor Skrjanc, Lin Liu, Habibullah Habibullah, Kutluyil Dogancay
Abstract: The black-box domain adaptation (BBDA) topic is developed to address the privacy and security issues where only an application programming interface (API) of the source model is available for domain adaptations. Although the BBDA topic has attracted growing research attentions, existing works mostly target the vision applications and are not directly applicable to the time-series applications possessing unique spatio-temporal characteristics. In addition, none of existing approaches have explored the strength of foundation model for black box time-series domain adaptation (BBTSDA). This paper proposes a concept of Cross-Prompt Foundation Model (CPFM) for the BBTSDA problems. CPFM is constructed under a dual branch network structure where each branch is equipped with a unique prompt to capture different characteristics of data distributions. In the domain adaptation phase, the reconstruction learning phase in the prompt and input levels is developed. All of which are built upon a time-series foundation model to overcome the spatio-temporal dynamic. Our rigorous experiments substantiate the advantage of CPFM achieving improved results with noticeable margins from its competitors in three time-series datasets of different application domains.
Authors: Julian Coda-Forno, Zhuokai Zhao, Qiang Zhang, Dipesh Tamboli, Weiwei Li, Xiangjun Fan, Lizhu Zhang, Eric Schulz, Hsiao-Ping Tseng
Abstract: Should LLM reasoning live in a separate module, or within a single model's forward pass and representational space? We study dual-architecture latent reasoning, where a fluent Base exchanges latent messages with a Coprocessor, and test two hypotheses aimed at improving latent communication over Liu et al. (2024): (H1) increase channel capacity; (H2) learn communication via joint finetuning. Under matched latent-token budgets on GPT-2 and Qwen-3, H2 is consistently strongest while H1 yields modest gains. A unified soft-embedding baseline, a single model with the same forward pass and shared representations, using the same latent-token budget, nearly matches H2 and surpasses H1, suggesting current dual designs mostly add compute rather than qualitatively improving reasoning. Across GSM8K, ProsQA, and a Countdown stress test with increasing branching factor, scaling the latent-token budget beyond small values fails to improve robustness. Latent analyses show overlapping subspaces with limited specialization, consistent with weak reasoning gains. We conclude dual-model latent reasoning remains promising in principle, but likely requires objectives and communication mechanisms that explicitly shape latent spaces for algorithmic planning.
Authors: Jaewoo Lee, Minsu Kim, Sanghyeok Choi, Inhyuck Song, Sujin Yun, Hyeongyu Kang, Woocheol Shin, Taeyoung Yun, Kiyoung Om, Jinkyoo Park
Abstract: Diffusion alignment aims to optimize diffusion models for the downstream objective. While existing methods based on reinforcement learning or direct backpropagation achieve considerable success in maximizing rewards, they often suffer from reward over-optimization and mode collapse. We introduce Diffusion Alignment as Variational Expectation-Maximization (DAV), a framework that formulates diffusion alignment as an iterative process alternating between two complementary phases: the E-step and the M-step. In the E-step, we employ test-time search to generate diverse and reward-aligned samples. In the M-step, we refine the diffusion model using samples discovered by the E-step. We demonstrate that DAV can optimize reward while preserving diversity for both continuous and discrete tasks: text-to-image synthesis and DNA sequence design.
Authors: Tsubasa Takahashi, Shojiro Yamabe, Futa Waseda, Kento Sasaki
Abstract: Differential Attention (DA) has been proposed as a refinement to standard attention, suppressing redundant or noisy context through a subtractive structure and thereby reducing contextual hallucination. While this design sharpens task-relevant focus, we show that it also introduces a structural fragility under adversarial perturbations. Our theoretical analysis identifies negative gradient alignment-a configuration encouraged by DA's subtraction-as the key driver of sensitivity amplification, leading to increased gradient norms and elevated local Lipschitz constants. We empirically validate this Fragile Principle through systematic experiments on ViT/DiffViT and evaluations of pretrained CLIP/DiffCLIP, spanning five datasets in total. These results demonstrate higher attack success rates, frequent gradient opposition, and stronger local sensitivity compared to standard attention. Furthermore, depth-dependent experiments reveal a robustness crossover: stacking DA layers attenuates small perturbations via depth-dependent noise cancellation, though this protection fades under larger attack budgets. Overall, our findings uncover a fundamental trade-off: DA improves discriminative focus on clean inputs but increases adversarial vulnerability, underscoring the need to jointly design for selectivity and robustness in future attention mechanisms.
Authors: Nandan Kumar Jha, Brandon Reagen
Abstract: As large language models (LLMs) scale, the question is not only how large they become, but how much of their capacity is effectively utilized. Existing scaling laws relate model size to loss, yet overlook how components exploit their latent space. We study feed-forward networks (FFNs) and recast width selection as a spectral utilization problem. Using a lightweight diagnostic suite -- Hard Rank (participation ratio), Soft Rank (Shannon rank), Spectral Concentration, and the composite Spectral Utilization Index (SUI) -- we quantify how many latent directions are meaningfully activated across LLaMA, GPT-2, and nGPT families. Our key finding is an asymmetric spectral scaling law: soft rank follows an almost perfect power law with FFN width, while hard rank grows only sublinearly and with high variance. This asymmetry suggests that widening FFNs mostly adds low-energy tail directions, while dominant-mode subspaces saturate early. Moreover, at larger widths, variance further collapses into a narrow subspace, leaving much of the latent space under-utilized. These results recast FFN width selection as a principled trade-off between tail capacity and dominant-mode capacity, offering concrete guidance for inference-efficient LLM design.
Authors: Roman Dolgopolyi, Ioanna Amaslidou, Agrippina Margaritou
Abstract: Life expectancy is a fundamental indicator of population health and socio-economic well-being, yet accurately forecasting it remains challenging due to the interplay of demographic, environmental, and healthcare factors. This study evaluates three machine learning models -- Linear Regression (LR), Regression Decision Tree (RDT), and Random Forest (RF), using a real-world dataset drawn from World Health Organization (WHO) and United Nations (UN) sources. After extensive preprocessing to address missing values and inconsistencies, each model's performance was assessed with $R^2$, Mean Absolute Error (MAE), and Root Mean Squared Error (RMSE). Results show that RF achieves the highest predictive accuracy ($R^2 = 0.9423$), significantly outperforming LR and RDT. Interpretability was prioritized through p-values for LR and feature importance metrics for the tree-based models, revealing immunization rates (diphtheria, measles) and demographic attributes (HIV/AIDS, adult mortality) as critical drivers of life-expectancy predictions. These insights underscore the synergy between ensemble methods and transparency in addressing public-health challenges. Future research should explore advanced imputation strategies, alternative algorithms (e.g., neural networks), and updated data to further refine predictive accuracy and support evidence-based policymaking in global health contexts.
Authors: Yuchen Cai, Ding Cao, Xin Xu, Zijun Yao, Yuqing Huang, Zhenyu Tan, Benyi Zhang, Guiquan Liu, Junfeng Fang
Abstract: Recent advances in reasoning capabilities of large language models (LLMs) are largely driven by reinforcement learning (RL), yet the underlying parameter dynamics during RL training remain poorly understood. This work identifies two fundamental properties of RL-induced parameter updates in LLMs: (1) Rank-1 Dominance, where the top singular subspace of the parameter update matrix nearly fully determines reasoning improvements, recovering over 99\% of performance gains; and (2) Rank-1 Linear Dynamics, where this dominant subspace evolves linearly throughout training, enabling accurate prediction from early checkpoints. Extensive experiments across 8 LLMs and 7 algorithms validate the generalizability of these properties. More importantly, based on these findings, we propose AlphaRL, a plug-in acceleration framework that extrapolates the final parameter update using a short early training window, achieving up to 2.5 speedup while retaining \textgreater 96\% of reasoning performance without extra modules or hyperparameter tuning. This positions our finding as a versatile and practical tool for large-scale RL, opening a path toward principled, interpretable, and efficient training paradigm for LLMs.
Authors: JingChuan Guan, Tomoyuki Kubota, Yasuo Kuniyoshi, Kohei Nakajima
Abstract: State space models (SSMs) have gained attention by showing potential to outperform Transformers. However, previous studies have not sufficiently addressed the mechanisms underlying their high performance owing to a lack of theoretical explanation of SSMs' learning dynamics. In this study, we provide such an explanation and propose an improved training strategy. The memory capacity of SSMs can be evaluated by examining how input time series are stored in their current state. Such an examination reveals a tradeoff between memory accuracy and length, as well as the theoretical equivalence between the structured state space sequence model (S4) and a simplified S4 with diagonal recurrent weights. This theoretical foundation allows us to elucidate the learning dynamics, proving the importance of initial parameters. Our analytical results suggest that successful learning requires the initial memory structure to be the longest possible even if memory accuracy may deteriorate or the gradient lose the teacher information. Experiments on tasks requiring long memory confirmed that extending memory is difficult, emphasizing the importance of initialization. Furthermore, we found that fixing recurrent weights can be more advantageous than adapting them because it achieves comparable or even higher performance with faster convergence. Our results provide a new theoretical foundation for SSMs and potentially offer a novel optimization strategy.
Authors: Vansh Ramani, Alexis Schlomer, Akash Nayar, Panagiotis Karras, Sayan Ranu, Jignesh M. Patel
Abstract: Approximate Nearest-Neighbor Search (ANNS) efficiently finds data items whose embeddings are close to that of a given query in a high-dimensional space, aiming to balance accuracy with speed. Used in recommendation systems, image and video retrieval, natural language processing, and retrieval-augmented generation (RAG), ANNS algorithms such as IVFPQ, HNSW graphs, Annoy, and MRPT utilize graph, tree, clustering, and quantization techniques to navigate large vector spaces. Despite this progress, ANNS systems spend up to 99\% of query time to compute distances in their final refinement phase. In this paper, we present PANORAMA, a machine learning-driven approach that tackles the ANNS verification bottleneck through data-adaptive learned orthogonal transforms that facilitate the accretive refinement of distance bounds. Such transforms compact over 90\% of signal energy into the first half of dimensions, enabling early candidate pruning with partial distance computations. We integrate PANORAMA into state-of-the-art ANNS methods, namely IVFPQ/Flat, HNSW, MRPT, and Annoy, without index modification, using level-major memory layouts, SIMD-vectorized partial distance computations, and cache-aware access patterns. Experiments across diverse datasets -- from image-based CIFAR-10 and GIST to modern embedding spaces including OpenAI's Ada 2 and Large 3 -- demonstrate that PANORAMA affords a 2--30$\times$ end-to-end speedup with no recall loss.
Authors: Bo Li, Wei Wang, Peng Ye
Abstract: We revisit the problem of private online learning, in which a learner receives a sequence of $T$ data points and has to respond at each time-step a hypothesis. It is required that the entire stream of output hypotheses should satisfy differential privacy. Prior work of Golowich and Livni [2021] established that every concept class $\mathcal{H}$ with finite Littlestone dimension $d$ is privately online learnable in the realizable setting. In particular, they proposed an algorithm that achieves an $O_{d}(\log T)$ mistake bound against an oblivious adversary. However, their approach yields a suboptimal $\tilde{O}_{d}(\sqrt{T})$ bound against an adaptive adversary. In this work, we present a new algorithm with a mistake bound of $O_{d}(\log T)$ against an adaptive adversary, closing this gap. We further investigate the problem in the agnostic setting, which is more general than the realizable setting as it does not impose any assumptions on the data. We give an algorithm that obtains a sublinear regret of $\tilde{O}_d(\sqrt{T})$ for generic Littlestone classes, demonstrating that they are also privately online learnable in the agnostic setting.
Authors: Yen-Shan Chen, Sian-Yao Huang, Cheng-Lin Yang, Yun-Nung Chen
Abstract: Existing data poisoning attacks on retrieval-augmented generation (RAG) systems scale poorly because they require costly optimization of poisoned documents for each target phrase. We introduce Eyes-on-Me, a modular attack that decomposes an adversarial document into reusable Attention Attractors and Focus Regions. Attractors are optimized to direct attention to the Focus Region. Attackers can then insert semantic baits for the retriever or malicious instructions for the generator, adapting to new targets at near zero cost. This is achieved by steering a small subset of attention heads that we empirically identify as strongly correlated with attack success. Across 18 end-to-end RAG settings (3 datasets $\times$ 2 retrievers $\times$ 3 generators), Eyes-on-Me raises average attack success rates from 21.9 to 57.8 (+35.9 points, 2.6$\times$ over prior work). A single optimized attractor transfers to unseen black box retrievers and generators without retraining. Our findings establish a scalable paradigm for RAG data poisoning and show that modular, reusable components pose a practical threat to modern AI systems. They also reveal a strong link between attention concentration and model outputs, informing interpretability research.
Authors: Lauri Kurki, Yaniel Cabrera, Samu Karanko
Abstract: Reliable precipitation nowcasting is critical for weather-sensitive decision-making, yet neural weather models (NWMs) can produce poorly calibrated probabilistic forecasts. Standard calibration metrics such as the expected calibration error (ECE) fail to capture miscalibration across precipitation thresholds. We introduce the expected thresholded calibration error (ETCE), a new metric that better captures miscalibration in ordered classes like precipitation amounts. We extend post-processing techniques from computer vision to the forecasting domain. Our results show that selective scaling with lead time conditioning reduces model miscalibration without reducing the forecast quality.
Authors: Ahmad-Reza Ehyaei, Golnoosh Farnadi, Samira Samadi
Abstract: Distributionally robust optimization tackles out-of-sample issues like overfitting and distribution shifts by adopting an adversarial approach over a range of possible data distributions, known as the ambiguity set. To balance conservatism and accuracy, these sets must include realistic probability distributions by leveraging information from the nominal distribution. Assuming that nominal distributions arise from a structural causal model with a directed acyclic graph $\mathcal{G}$ and structural equations, previous methods such as adapted and $\mathcal{G}$-causal optimal transport have only utilized causal graph information in designing ambiguity sets. In this work, we propose incorporating structural equations, which include causal graph information, to enhance ambiguity sets, resulting in more realistic distributions. We introduce structural causal optimal transport and its associated ambiguity set, demonstrating their advantages and connections to previous methods. A key benefit of our approach is a relaxed version, where a regularization term replaces the complex causal constraints, enabling an efficient algorithm via difference-of-convex programming to solve structural causal optimal transport. We also show that when structural information is absent and must be estimated, our approach remains effective and provides finite sample guarantees. Lastly, we address the radius of ambiguity sets, illustrating how our method overcomes the curse of dimensionality in optimal transport problems, achieving faster shrinkage with dimension-free order.
Authors: Amirhoseein Afsharrad, Ahmadreza Moradipari, Sanjay Lall
Abstract: In many real-world applications such as recommendation systems, multiple learning agents must balance exploration and exploitation while maintaining safety guarantees to avoid catastrophic failures. We study the stochastic linear bandit problem in a multi-agent networked setting where agents must satisfy stage-wise conservative constraints. A network of $N$ agents collaboratively maximizes cumulative reward while ensuring that the expected reward at every round is no less than $(1-\alpha)$ times that of a baseline policy. Each agent observes local rewards with unknown parameters, but the network optimizes for the global parameter (average of local parameters). Agents communicate only with immediate neighbors, and each communication round incurs additional regret. We propose MA-SCLUCB (Multi-Agent Stage-wise Conservative Linear UCB), an episodic algorithm alternating between action selection and consensus-building phases. We prove that MA-SCLUCB achieves regret $\tilde{O}\left(\frac{d}{\sqrt{N}}\sqrt{T}\cdot\frac{\log(NT)}{\sqrt{\log(1/|\lambda_2|)}}\right)$ with high probability, where $d$ is the dimension, $T$ is the horizon, and $|\lambda_2|$ is the network's second largest eigenvalue magnitude. Our analysis shows: (i) collaboration yields $\frac{1}{\sqrt{N}}$ improvement despite local communication, (ii) communication overhead grows only logarithmically for well-connected networks, and (iii) stage-wise safety adds only lower-order regret. Thus, distributed learning with safety guarantees achieves near-optimal performance in reasonably connected networks.
Authors: Yifei Gao, Yong Chen, Chen Zhang
Abstract: Functional data play a pivotal role across science and engineering, yet their infinite-dimensional nature makes representation learning challenging. Conventional statistical models depend on pre-chosen basis expansions or kernels, limiting the flexibility of data-driven discovery, while many deep-learning pipelines treat functions as fixed-grid vectors, ignoring inherent continuity. In this paper, we introduce Functional Attention with a Mixture-of-Experts (FAME), an end-to-end, fully data-driven framework for function-on-function regression. FAME forms continuous attention by coupling a bidirectional neural controlled differential equation with MoE-driven vector fields to capture intra-functional continuity, and further fuses change to inter-functional dependencies via multi-head cross attention. Extensive experiments on synthetic and real-world functional-regression benchmarks show that FAME achieves state-of-the-art accuracy, strong robustness to arbitrarily sampled discrete observations of functions.
Authors: Kaja Gruntkowska, Alexander Gaponov, Zhirayr Tovmasyan, Peter Richt\'arik
Abstract: Recent optimizers like Muon, Scion, and Gluon have pushed the frontier of large-scale deep learning by exploiting layer-wise linear minimization oracles (LMOs) over non-Euclidean norm balls, capturing neural network structure in ways traditional algorithms cannot. Yet, no principled distributed framework exists for these methods, and communication bottlenecks remain unaddressed. The very few distributed variants are heuristic, with no convergence guarantees in sight. We introduce EF21-Muon, the first communication-efficient, non-Euclidean LMO-based optimizer with rigorous convergence guarantees. EF21-Muon supports stochastic gradients, momentum, and bidirectional compression with error feedback-marking the first extension of error feedback beyond the Euclidean setting. It recovers Muon/Scion/Gluon when compression is off and specific norms are chosen, providing the first efficient distributed implementation of this powerful family. Our theory covers non-Euclidean smooth and the more general $(L^0, L^1)$-smooth setting, matching best-known Euclidean rates and enabling faster convergence under suitable norm choices. We further extend the analysis to layer-wise (generalized) smoothness regimes, capturing the anisotropic structure of deep networks. Experiments on NanoGPT benchmarking EF21-Muon against uncompressed Muon/Scion/Gluon demonstrate up to $7\times$ communication savings with no accuracy degradation.
Authors: Fu-Chen Guo, Pei-Zhi Zhuang, Fei Ren, Hong-Ya Yue, He Yang
Abstract: Physics-informed machine learning has been a promising data-driven and physics-informed approach in geotechnical engineering. This study proposes a physics-informed extreme learning machine (PIELM) framework for analyzing tunneling-induced soil-pile interactions. The pile foundation is modeled as an Euler-Bernoulli beam, and the surrounding soil is modeled as a Pasternak foundation. The soil-pile interaction is formulated into a fourth-order ordinary differential equation (ODE) that constitutes the physics-informed component, while measured data are incorporated into PIELM as the data-driven component. Combining physics and data yields a loss vector of the extreme learning machine (ELM) network, which is trained within 1 second by the least squares method. After validating the PIELM approach by the boundary element method (BEM) and finite difference method (FDM), parametric studies are carried out to examine the effects of ELM network architecture, data monitoring locations and numbers on the performance of PIELM. The results indicate that monitored data should be placed at positions where the gradients of pile deflections are significant, such as at the pile tip/top and near tunneling zones. Two application examples highlight the critical role of physics-informed and data-driven approach for tunnelling-induced soil-pile interactions. The proposed approach shows great potential for real-time monitoring and safety assessment of pile foundations, and benefits for intelligent early-warning systems in geotechnical engineering.
Authors: Uvini Ranaweera, Bawun Mawitagama, Sanduni Liyanage, Sandupa Keshan, Tiloka de Silva, Supun Hewawalpita
Abstract: Automated document classification is a trending topic in Natural Language Processing (NLP) due to the extensive growth in digital databases. However, a model that fits well for a specific classification task might perform weakly for another dataset due to differences in the context. Thus, training and evaluating several models is necessary to optimise the results. This study employs a publicly available document database on worldwide digital development interventions categorised under twelve areas. Since digital interventions are still emerging, utilising NLP in the field is relatively new. Given the exponential growth of digital interventions, this research has a vast scope for improving how digital-development-oriented organisations report their work. The paper examines the classification performance of Machine Learning (ML) algorithms, including Decision Trees, k-Nearest Neighbors, Support Vector Machine, AdaBoost, Stochastic Gradient Descent, Naive Bayes, and Logistic Regression. Accuracy, precision, recall and F1-score are utilised to evaluate the performance of these models, while oversampling is used to address the class-imbalanced nature of the dataset. Deviating from the traditional approach of fitting a single model for multiclass classification, this paper investigates the One vs Rest approach to build a combined model that optimises the performance. The study concludes that the amount of data is not the sole factor affecting the performance; features like similarity within classes and dissimilarity among classes are also crucial.
Authors: Alessio Cristofoletto, Cesare Rollo, Giovanni Birolo, Piero Fariselli
Abstract: We introduce DeepFHT, a survival-analysis framework that couples deep neural networks with first hitting time (FHT) distributions from stochastic process theory. Time to event is represented as the first passage of a latent diffusion process to an absorbing boundary. A neural network maps input variables to physically meaningful parameters including initial condition, drift, and diffusion, within a chosen FHT process such as Brownian motion, both with drift and driftless. This yields closed-form survival and hazard functions and captures time-varying risk without assuming proportional-hazards. We compare DeepFHT with Cox regression and other existing parametric survival models, using synthetic and real-world datasets. The method achieves predictive accuracy on par with state-of-the-art approaches, while maintaining a physics-based interpretable parameterization that elucidates the relation between input features and risk. This combination of stochastic process theory and deep learning provides a principled avenue for modeling survival phenomena in complex systems.
Authors: Marco Bagatella, Matteo Pirotta, Ahmed Touati, Alessandro Lazaric, Andrea Tirinzoni
Abstract: Latent prediction--where agents learn by predicting their own latents--has emerged as a powerful paradigm for training general representations in machine learning. In reinforcement learning (RL), this approach has been explored to define auxiliary losses for a variety of settings, including reward-based and unsupervised RL, behavior cloning, and world modeling. While existing methods are typically limited to single-task learning, one-step prediction, or on-policy trajectory data, we show that temporal difference (TD) learning enables learning representations predictive of long-term latent dynamics across multiple policies from offline, reward-free transitions. Building on this, we introduce TD-JEPA, which leverages TD-based latent-predictive representations into unsupervised RL. TD-JEPA trains explicit state and task encoders, a policy-conditioned multi-step predictor, and a set of parameterized policies directly in latent space. This enables zero-shot optimization of any reward function at test time. Theoretically, we show that an idealized variant of TD-JEPA avoids collapse with proper initialization, and learns encoders that capture a low-rank factorization of long-term policy dynamics, while the predictor recovers their successor features in latent space. Empirically, TD-JEPA matches or outperforms state-of-the-art baselines on locomotion, navigation, and manipulation tasks across 13 datasets in ExoRL and OGBench, especially in the challenging setting of zero-shot RL from pixels.
Authors: Nouha Karaouli (Univ. Rennes, CNRS, Inria, IRISA - UMR 6074, F-35000 Rennes, France), Denis Coquenet (Univ. Rennes, CNRS, IRISA - UMR 6074, F-35000 Rennes, France), Elisa Fromont (Univ. Rennes, CNRS, Inria, IRISA - UMR 6074, F-35000 Rennes, France), Martial Mermillod (Univ. Grenoble Alpes, Univ. Savoie Mont Blanc, CNRS, LPNC, Grenoble, France), Marina Reyboz (Univ. Grenoble Alpes, CEA, LIST, 38000 Grenoble, France)
Abstract: Foundation Models are designed to serve as versatile embedding machines, with strong zero shot capabilities and superior generalization performance when fine-tuned on diverse downstream tasks. While this is largely true for language and vision foundation models, we argue that the inherent diversity of time series data makes them less suited for building effective foundation models. We demonstrate this using forecasting as our downstream task. We show that the zero-shot capabilities of a time series foundation model are significantly influenced and tied to the specific domains it has been pretrained on. Furthermore, when applied to unseen real-world time series data, fine-tuned foundation models do not consistently yield substantially better results, relative to their increased parameter count and memory footprint, than smaller, dedicated models tailored to the specific forecasting task at hand.
Authors: Juan Amboage, Ernst R\"oell, Patrick Schnider, Bastian Rieck
Abstract: Graph neural networks (GNNs) largely rely on the message-passing paradigm, where nodes iteratively aggregate information from their neighbors. Yet, standard message passing neural networks (MPNNs) face well-documented theoretical and practical limitations. Graph positional encoding (PE) has emerged as a promising direction to address these limitations. The Euler Characteristic Transform (ECT) is an efficiently computable geometric-topological invariant that characterizes shapes and graphs. In this work, we combine the differentiable approximation of the ECT (DECT) and its local variant ($\ell$-ECT) to propose LEAP, a new end-to-end trainable local structural PE for graphs. We evaluate our approach on multiple real-world datasets as well as on a synthetic task designed to test its ability to extract topological features. Our results underline the potential of LEAP-based encodings as a powerful component for graph representation learning pipelines.
Authors: Yicheng Lang, Yihua Zhang, Chongyu Fan, Changsheng Wang, Jinghan Jia, Sijia Liu
Abstract: Large language model (LLM) unlearning aims to surgically remove the influence of undesired data or knowledge from an existing model while preserving its utility on unrelated tasks. This paradigm has shown promise in addressing privacy and safety concerns. However, recent findings reveal that unlearning effects are often fragile: post-unlearning manipulations such as weight quantization or fine-tuning can quickly neutralize the intended forgetting. Prior efforts to improve robustness primarily reformulate unlearning objectives by explicitly assuming the role of vulnerability sources. In this work, we take a different perspective by investigating the role of the optimizer, independent of unlearning objectives and formulations, in shaping unlearning robustness. We show that the 'grade' of the optimizer, defined by the level of information it exploits, ranging from zeroth-order (gradient-free) to first-order (gradient-based) to second-order (Hessian-based), is tightly linked to the resilience of unlearning. Surprisingly, we find that downgrading the optimizer, such as using zeroth-order methods or compressed-gradient variants (e.g., gradient sign-based optimizers), often leads to stronger robustness. While these optimizers produce noisier and less precise updates, they encourage convergence to harder-to-disturb basins in the loss landscape, thereby resisting post-training perturbations. By connecting zeroth-order methods with randomized smoothing, we further highlight their natural advantage for robust unlearning. Motivated by these insights, we propose a hybrid optimizer that combines first-order and zeroth-order updates, preserving unlearning efficacy while enhancing robustness. Extensive experiments on the MUSE and WMDP benchmarks, across multiple LLM unlearning algorithms, validate that our approach achieves more resilient forgetting without sacrificing unlearning quality.
Authors: Youngbin Choi, Minjong Lee, Saemi Moon, Seunghyuk Cho, Chaehyeon Chung, MoonJeong Park, Dongwoo Kim
Abstract: Large language models (LLMs) are increasingly studied in the context of multi-turn reasoning, where models iteratively refine their outputs based on user-provided feedback. Such settings are crucial for tasks that require complex reasoning, yet existing feedback paradigms often rely on issuing new messages. LLMs struggle to integrate these reliably, leading to inconsistent improvements. In this work, we introduce in-place feedback, a novel interaction paradigm in which users directly edit an LLM's previous response, and the model conditions on this modified response to generate its revision. Empirical evaluations on diverse reasoning-intensive benchmarks reveal that in-place feedback achieves better performance than conventional multi-turn feedback while using $79.1\%$ fewer tokens. Complementary analyses on controlled environments further demonstrate that in-place feedback resolves a core limitation of multi-turn feedback: models often fail to apply feedback precisely to erroneous parts of the response, leaving errors uncorrected and sometimes introducing new mistakes into previously correct content. These findings suggest that in-place feedback offers a more natural and effective mechanism for guiding LLMs in reasoning-intensive tasks.
Authors: Bastien Morel, Cl\'ement Moulin-Frier, Pascal Barla
Abstract: The diversity of patterns that emerge from complex systems motivates their use for scientific or artistic purposes. When exploring these systems, the challenges faced are the size of the parameter space and the strongly non-linear mapping between parameters and emerging patterns. In addition, artists and scientists who explore complex systems do so with an expectation of particular patterns. Taking these expectations into account adds a new set of challenges, which the exploration process must address. We provide design choices and their implementation to address these challenges; enabling the maximization of the diversity of patterns discovered in the user's region of interest -- which we call the constrained diversity -- in a sample-efficient manner. The region of interest is expressed in the form of explicit constraints. These constraints are formulated by the user in a system-agnostic way, and their addition enables interactive system exploration leading to constrained diversity, while maintaining global diversity.
Authors: Gaelle Milon-Harnois, Chaimaa Touhami, Nicolas Gutowski, Benoit Da Mota, Thomas Cauchy
Abstract: The efficient exploration of chemical space remains a central challenge, as many generative models still produce unstable or non-synthesizable compounds. To address these limitations, we present EvoMol-RL, a significant extension of the EvoMol evolutionary algorithm that integrates reinforcement learning to guide molecular mutations based on local structural context. By leveraging Extended Connectivity Fingerprints (ECFPs), EvoMol-RL learns context-aware mutation policies that prioritize chemically plausible transformations. This approach significantly improves the generation of valid and realistic molecules, reducing the frequency of structural artifacts and enhancing optimization performance. The results demonstrate that EvoMol-RL consistently outperforms its baseline in molecular pre-filtering realism. These results emphasize the effectiveness of combining reinforcement learning with molecular fingerprints to generate chemically relevant molecular structures.
Authors: Federico Cinus, Yuko Kuroki, Atsushi Miyauchi, Francesco Bonchi
Abstract: We study the problem of minimizing polarization and disagreement in the Friedkin-Johnsen opinion dynamics model under incomplete information. Unlike prior work that assumes a static setting with full knowledge of users' innate opinions, we address the more realistic online setting where innate opinions are unknown and must be learned through sequential observations. This novel setting, which naturally mirrors periodic interventions on social media platforms, is formulated as a regret minimization problem, establishing a key connection between algorithmic interventions on social media platforms and theory of multi-armed bandits. In our formulation, a learner observes only a scalar feedback of the overall polarization and disagreement after an intervention. For this novel bandit problem, we propose a two-stage algorithm based on low-rank matrix bandits. The algorithm first performs subspace estimation to identify an underlying low-dimensional structure, and then employs a linear bandit algorithm within the compact dimensional representation derived from the estimated subspace. We prove that our algorithm achieves an $ \widetilde{O}(\sqrt{T}) $ cumulative regret over any time horizon $T$. Empirical results validate that our algorithm significantly outperforms a linear bandit baseline in terms of both cumulative regret and running time.
Authors: Rui Zhu, Xuan Yu, Yudong Zhang, Chen Zhang, Xu Wang, Yang Wang
Abstract: Generative Flow Networks (GFlowNets) have emerged as a powerful tool for generating diverse and high-reward structured objects by learning to sample from a distribution proportional to a given reward function. Unlike conventional reinforcement learning (RL) approaches that prioritize optimization of a single trajectory, GFlowNets seek to balance diversity and reward by modeling the entire trajectory distribution. This capability makes them especially suitable for domains such as molecular design and combinatorial optimization. However, existing GFlowNets sampling strategies tend to overexplore and struggle to consistently generate high-reward samples, particularly in large search spaces with sparse high-reward regions. Therefore, improving the probability of generating high-reward samples without sacrificing diversity remains a key challenge under this premise. In this work, we integrate an enhanced Monte Carlo Tree Search (MCTS) into the GFlowNets sampling process, using MCTS-based policy evaluation to guide the generation toward high-reward trajectories and Polynomial Upper Confidence Trees (PUCT) to balance exploration and exploitation adaptively, and we introduce a controllable mechanism to regulate the degree of greediness. Our method enhances exploitation without sacrificing diversity by dynamically balancing exploration and reward-driven guidance. The experimental results show that our method can not only accelerate the speed of discovering high-reward regions but also continuously generate high-reward samples, while preserving the diversity of the generative distribution. All implementations are available at https://github.com/ZRNB/MG2FlowNet.
Authors: Nouha Karaouli (Univ. Rennes, CNRS, Inria, Rennes, France), Denis Coquenet (Univ. Rennes, CNRS, IRISA - UMR 6074, Rennes, France), Elisa Fromont (Univ. Rennes, CNRS, Inria, Rennes, France), Martial Mermillod (Univ. Grenoble Alpes, Univ. Savoie Mont Blanc, CNRS, LPNC, Grenoble, France), Marina Reyboz (Univ. Grenoble Alpes, CEA, LIST, Grenoble, France)
Abstract: Time Series Foundation Models (TSFMs) have shown promising zero-shot generalization across diverse forecasting tasks. However, their robustness to continual adaptation remains underexplored. In this work, we investigate the extent to which TSFMs suffer from catastrophic forgetting when fine-tuned sequentially on multiple datasets. Using synthetic datasets designed with varying degrees of periodic structure, we measure the trade-off between adaptation to new data and retention of prior knowledge. Our experiments reveal that, while fine-tuning improves performance on new tasks, it often causes significant degradation on previously learned ones, illustrating a fundamental stability-plasticity dilemma.
Authors: Alexandre Galashov, Ashwini Pokle, Arnaud Doucet, Arthur Gretton, Mauricio Delbracio, Valentin De Bortoli
Abstract: Classifier-free guidance (CFG) is a widely used technique for improving the perceptual quality of samples from conditional diffusion models. It operates by linearly combining conditional and unconditional score estimates using a guidance weight $\omega$. While a large, static weight can markedly improve visual results, this often comes at the cost of poorer distributional alignment. In order to better approximate the target conditional distribution, we instead learn guidance weights $\omega_{c,(s,t)}$, which are continuous functions of the conditioning $c$, the time $t$ from which we denoise, and the time $s$ towards which we denoise. We achieve this by minimizing the distributional mismatch between noised samples from the true conditional distribution and samples from the guided diffusion process. We extend our framework to reward guided sampling, enabling the model to target distributions tilted by a reward function $R(x_0,c)$, defined on clean data and a conditioning $c$. We demonstrate the effectiveness of our methodology on low-dimensional toy examples and high-dimensional image settings, where we observe improvements in Fr\'echet inception distance (FID) for image generation. In text-to-image applications, we observe that employing a reward function given by the CLIP score leads to guidance weights that improve image-prompt alignment.
Authors: Luckeciano C. Melo, Alessandro Abate, Yarin Gal
Abstract: Reinforcement Learning, particularly through policy gradient methods, has played a central role in enabling reasoning capabilities of Large Language Models. However, the optimization stability of policy gradients in this setting remains understudied. As a result, existing implementations often resort to conservative hyperparameter choices to ensure stability, which requires more training samples and increases computational costs. Hence, developing models for reliably tracking the underlying optimization dynamics and leveraging them into training enables more sample-efficient regimes and further unleashes scalable post-training. We address this gap by formalizing the stochastic optimization problem of policy gradients with explicit consideration of second-order geometry. We propose a tractable computational framework that tracks and leverages curvature information during policy updates. We further employ this framework to design interventions in the optimization process through data selection. The resultant algorithm, Curvature-Aware Policy Optimization (CAPO), identifies samples that contribute to unstable updates and masks them out. Theoretically, we establish monotonic improvement guarantees under realistic assumptions. On standard math reasoning benchmarks, we empirically show that CAPO ensures stable updates under aggressive learning regimes where baselines catastrophically fail. With minimal intervention (rejecting fewer than 8% of tokens), CAPO achieves up to 30x improvement in sample efficiency over standard GRPO for LLM reasoning.
Authors: Chao-Kai Chiang, Takashi Ishida, Masashi Sugiyama
Abstract: We study LLM routing, the problem of selecting the best model for each query while balancing user satisfaction, model expertise, and inference cost. We formulate routing as contextual dueling bandits, learning from pairwise preference feedback rather than absolute scores, thereby yielding label-efficient and dynamic adaptation. Building on this formulation, we introduce Category-Calibrated Fine-Tuning (CCFT), a representation-learning method that derives model embeddings from offline data using contrastive fine-tuning with categorical weighting. These embeddings enable the practical instantiation of Feel-Good Thompson Sampling for Contextual Dueling Bandits (FGTS.CDB), a theoretically grounded posterior-sampling algorithm. We propose four variants of the categorical weighting that explicitly integrate model quality and cost, and we empirically evaluate the proposed methods on the RouterBench and MixInstruct datasets. Across both benchmarks, our methods achieve lower cumulative regret and faster convergence, with better robustness and performance-cost balance than strong baselines built with a general-purpose OpenAI embedding model.
Authors: Maxime M\'eloux, Maxime Peyrard, Fran\c{c}ois Portet
Abstract: The development of trustworthy artificial intelligence requires moving beyond black-box performance metrics toward an understanding of models' internal computations. Mechanistic Interpretability (MI) aims to meet this need by identifying the algorithmic mechanisms underlying model behaviors. Yet, the scientific rigor of MI critically depends on the reliability of its findings. In this work, we argue that interpretability methods, such as circuit discovery, should be viewed as statistical estimators, subject to questions of variance and robustness. To illustrate this statistical framing, we present a systematic stability analysis of a state-of-the-art circuit discovery method: EAP-IG. We evaluate its variance and robustness through a comprehensive suite of controlled perturbations, including input resampling, prompt paraphrasing, hyperparameter variation, and injected noise within the causal analysis itself. Across a diverse set of models and tasks, our results demonstrate that EAP-IG exhibits high structural variance and sensitivity to hyperparameters, questioning the stability of its findings. Based on these results, we offer a set of best-practice recommendations for the field, advocating for the routine reporting of stability metrics to promote a more rigorous and statistically grounded science of interpretability.
Authors: Tanay Rastogi, Daniel Jonsson, Anders Karlstr\"om
Abstract: This paper presents a population synthesis model that utilizes the Wasserstein Generative-Adversarial Network (WGAN) for training on incomplete microsamples. By using a mask matrix to represent missing values, the study proposes a WGAN training algorithm that lets the model learn from a training dataset that has some missing information. The proposed method aims to address the challenge of missing information in microsamples on one or more attributes due to privacy concerns or data collection constraints. The paper contrasts WGAN models trained on incomplete microsamples with those trained on complete microsamples, creating a synthetic population. We conducted a series of evaluations of the proposed method using a Swedish national travel survey. We validate the efficacy of the proposed method by generating synthetic populations from all the models and comparing them to the actual population dataset. The results from the experiments showed that the proposed methodology successfully generates synthetic data that closely resembles a model trained with complete data as well as the actual population. The paper contributes to the field by providing a robust solution for population synthesis with incomplete data, opening avenues for future research, and highlighting the potential of deep generative models in advancing population synthesis capabilities.
Authors: Thiziri Nait Saada, Louis Bethune, Michal Klein, David Grangier, Marco Cuturi, Pierre Ablin
Abstract: Large-scale models are pretrained on massive web-crawled datasets containing documents of mixed quality, making data filtering essential. A popular method is Classifier-based Quality Filtering (CQF), which trains a binary classifier to distinguish between pretraining data and a small, high-quality set. It assigns each pretraining document a quality score defined as the classifier's score and retains only the top-scoring ones. We provide an in-depth analysis of CQF. We show that while CQF improves downstream task performance, it does not necessarily enhance language modeling on the high-quality dataset. We explain this paradox by the fact that CQF implicitly filters the high-quality dataset as well. We further compare the behavior of models trained with CQF to those trained on synthetic data of increasing quality, obtained via random token permutations, and find starkly different trends. Our results challenge the view that CQF captures a meaningful notion of data quality.
Authors: Tanay Rastogi, Daniel Jonsson
Abstract: Agent-based models used in scenario planning for transportation and urban planning usually require detailed population information from the base as well as target scenarios. These populations are usually provided by synthesizing fake agents through deterministic population synthesis methods. However, these deterministic population synthesis methods face several challenges, such as handling high-dimensional data, scalability, and zero-cell issues, particularly when generating populations for target scenarios. This research looks into how a deep generative model called Conditional Tabular Generative Adversarial Network (CT-GAN) can be used to create target populations either directly from a collection of marginal constraints or through a hybrid method that combines CT-GAN with Fitness-based Synthesis Combinatorial Optimization (FBS-CO). The research evaluates the proposed population synthesis models against travel survey and zonal-level aggregated population data. Results indicate that the stand-alone CT-GAN model performs the best when compared with FBS-CO and the hybrid model. CT-GAN by itself can create realistic-looking groups that match single-variable distributions, but it struggles to maintain relationships between multiple variables. However, the hybrid model demonstrates improved performance compared to FBS-CO by leveraging CT-GAN ability to generate a descriptive base population, which is then refined using FBS-CO to align with target-year marginals. This study demonstrates that CT-GAN represents an effective methodology for target populations and highlights how deep generative models can be successfully integrated with conventional synthesis techniques to enhance their performance.
Authors: Kristoffer Christensen, Bo N{\o}rregaard J{\o}rgensen, Zheng Grace Ma
Abstract: High-quality data is a prerequisite for training reliable Artificial Intelligence (AI) models in the energy domain. In district heating networks, sensor and metering data often suffer from noise, missing values, and temporal inconsistencies, which can significantly degrade model performance. This paper presents a systematic approach for evaluating and improving data quality using visual diagnostics, implemented through an interactive web-based dashboard. The dashboard employs Python-based visualization techniques, including time series plots, heatmaps, box plots, histograms, correlation matrices, and anomaly-sensitive KPIs such as skewness and anomaly detection based on the modified z-scores. These tools al-low human experts to inspect and interpret data anomalies, enabling a human-in-the-loop strategy for data quality assessment. The methodology is demonstrated on a real-world dataset from a Danish district heating provider, covering over four years of hourly data from nearly 7000 meters. The findings show how visual analytics can uncover systemic data issues and, in the future, guide data cleaning strategies that enhance the accuracy, stability, and generalizability of Long Short-Term Memory and Gated Recurrent Unit models for heat demand forecasting. The study contributes to a scalable, generalizable framework for visual data inspection and underlines the critical role of data quality in AI-driven energy management systems.
Authors: Fernanda Zapata Bascu\~n\'an, Dar\'io Fernando Mendieta
Abstract: This brief study focuses on the application of autoencoders to improve the quality of low-amplitude signals, such as gravitational events. A pre-existing autoencoder was trained using cosmic event data, optimizing its architecture and parameters. The results show a significant increase in the signal-to-noise ratio of the processed signals, demonstrating the potential of autoencoders in the analysis of small signals with multiple sources of interference.
Authors: Jose I. Mestre, Alberto Fern\'andez-Hern\'andez, Cristian P\'erez-Corral, Manuel F. Dolz, Jose Duato, Enrique S. Quintana-Ort\'i
Abstract: In this work we introduce GreenLightningAI (GLAI), a new architectural block designed as an alternative to conventional MLPs. The central idea is to separate two types of knowledge that are usually entangled during training: (i) *structural knowledge*, encoded by the stable activation patterns induced by ReLU activations; and (ii) *quantitative knowledge*, carried by the numerical weights and biases. By fixing the structure once stabilized, GLAI reformulates the MLP as a combination of paths, where only the quantitative component is optimized. This reformulation retains the universal approximation capabilities of MLPs, yet achieves a more efficient training process, reducing training time by ~40% on average across the cases examined in this study. Crucially, GLAI is not just another classifier, but a generic block that can replace MLPs wherever they are used, from supervised heads with frozen backbones to projection layers in self-supervised learning or few-shot classifiers. Across diverse experimental setups, GLAI consistently matches or exceeds the accuracy of MLPs with an equivalent number of parameters, while converging faster. Overall, GLAI establishes a new design principle that opens a direction for future integration into large-scale architectures such as Transformers, where MLP blocks dominate the computational footprint.
Authors: Alex Ayoub, David Szepesv\'ari, Alireza Baktiari, Csaba Szepesv\'ari, Dale Schuurmans
Abstract: This paper investigates the impact of the loss function in value-based methods for reinforcement learning through an analysis of underlying prediction objectives. We theoretically show that mean absolute error is a better prediction objective than the traditional mean squared error for controlling the learned policy's suboptimality gap. Furthermore, we present results that different loss functions are better aligned with these different regression objectives: binary and categorical cross-entropy losses with the mean absolute error and squared loss with the mean squared error. We then provide empirical evidence that algorithms minimizing these cross-entropy losses can outperform those based on the squared loss in linear reinforcement learning.
Authors: Bich-Chung Phan, Thanh Ma, Huu-Hoa Nguyen, Thanh-Nghi Do
Abstract: Feature selection is a crucial step in analyzing gene expression data, enhancing classification performance, and reducing computational costs for high-dimensional datasets. This paper proposes BoMGene, a hybrid feature selection method that effectively integrates two popular techniques: Boruta and Minimum Redundancy Maximum Relevance (mRMR). The method aims to optimize the feature space and enhance classification accuracy. Experiments were conducted on 25 publicly available gene expression datasets, employing widely used classifiers such as Support Vector Machine (SVM), Random Forest, XGBoost (XGB), and Gradient Boosting Machine (GBM). The results show that using the Boruta-mRMR combination cuts down the number of features chosen compared to just using mRMR, which helps to speed up training time while keeping or even improving classification accuracy compared to using individual feature selection methods. The proposed approach demonstrates clear advantages in accuracy, stability, and practical applicability for multi-class gene expression data analysis
Authors: Tao Ren, Jinyang Jiang, Hui Yang, Wan Tian, Minhao Zou, Guanghao Li, Zishi Zhang, Qinghao Wang, Shentao Qin, Yanjun Zhao, Rui Tao, Hui Shao, Yijie Peng
Abstract: Reinforcement learning with verifiable reward has recently emerged as a central paradigm for post-training large language models (LLMs); however, prevailing mean-based methods, such as Group Relative Policy Optimization (GRPO), suffer from entropy collapse and limited reasoning gains. We argue that these issues stem from overemphasizing high-probability output sequences while neglecting rare but informative reasoning paths. To address these challenges, we propose Risk-based Policy Optimization (RiskPO), which substitutes classical mean-based objectives with principled risk measures. Specifically, we introduce a Mixed Value-at-Risk objective that integrates weighted attention over multiple regions of the reward distribution, thereby amplifying gradient signals on challenging instances and preventing overconfident convergence. We further design a bundling scheme that aggregates multiple questions into bundles, thus enriching the feedback signal and yielding more stable and informative training dynamics. Theoretically, we prove that the risk-averse update alleviates entropy collapse and promotes exploration. Numerically, RiskPO achieves consistent and significant improvements in mathematical reasoning, multi-modal reasoning, and code generation benchmarks, surpassing GRPO and its variants on both Pass@1 and Pass@k metrics. Our results demonstrate that risk-based optimization provides a rigorous and effective paradigm for enhancing LLM reasoning capabilities.
Authors: Xin-Qiang Cai, Wei Wang, Feng Liu, Tongliang Liu, Gang Niu, Masashi Sugiyama
Abstract: Reinforcement Learning with Verifiable Rewards (RLVR) trains policies against automated verifiers to avoid costly human labeling. To reduce vulnerability to verifier hacking, many RLVR systems collapse rewards to binary $\{0,1\}$ during training. This choice carries a cost: it introduces \textit{false negatives} (rejecting correct answers, FNs) and \textit{false positives} (accepting incorrect ones, FPs). For instance, a rule-based checker may mark the correct fraction $\frac{12}{36}$ as wrong when compared against the canonical $\frac{1}{3}$ due to brittle parsing/equivalence rules (FN), while a large language model (LLM) judges can be gamed by superficial cues or even a single adversarial token, yielding inflated correctness for wrong solutions (FP). We formalize verifier unreliability by modeling the verifier as a stochastic reward channel with asymmetric noise rates. From this abstraction, we derive two correction algorithms for verifier errors. The first is a \textit{backward} correction that de-biases the observed binary reward to recover an \textit{unbiased} estimator of the clean policy gradient. The second is a \textit{forward} correction that reweights score-function terms so that the expected update direction aligns with the \textit{clean gradient}; notably, it requires only the FN rate. We implement both as lightweight hooks in a group relative policy optimization (GRPO)-based RLVR pipeline and evaluate them on math-reasoning models and benchmarks. Across models and datasets, both corrections improve over uncorrected training; the forward variant converges faster and remains stable under heavier noise. Finally, we show a practical appeal mechanism in which a lightweight LLM verifier estimates the FN rate online by rechecking rule-based negatives, obtaining outperformance compared with other state-of-the-art contenders.
Authors: ShengYun Peng, Eric Smith, Ivan Evtimov, Song Jiang, Pin-Yu Chen, Hongyuan Zhan, Haozhu Wang, Duen Horng Chau, Mahesh Pasupuleti, Jianfeng Chi
Abstract: Large reasoning models (LRMs) "think" by generating structured chain-of-thought (CoT) before producing a final answer, yet they still lack the ability to reason critically about safety alignment and are easily biased when a flawed premise is injected into their thought process. We propose RECAP (Robust Safety Alignment via Counter-Aligned Prefilling), a principled reinforcement learning (RL) method for post-training that explicitly teaches models to override flawed reasoning trajectories and reroute to safe and helpful responses. RECAP trains on a mixture of synthetically generated counter-aligned CoT prefills and standard prompts, requires no additional training cost or modifications beyond vanilla reinforcement learning from human feedback (RLHF), and substantially improves safety and jailbreak robustness, reduces overrefusal, and preserves core reasoning capability -- all while maintaining inference token budget. Extensive analysis shows that RECAP-trained models engage in self-reflection more frequently and remain robust under adaptive attacks, preserving safety even after repeated attempts to override their reasoning.
Authors: Yihong Wu, Liheng Ma, Lei Ding, Muzhi Li, Xinyu Wang, Kejia Chen, Zhan Su, Zhanguang Zhang, Chenyang Huang, Yingxue Zhang, Mark Coates, Jian-Yun Nie
Abstract: Group Relative Policy Optimization (GRPO) is a prominent reinforcement learning algorithm for post-training Large Language Models (LLMs). It is commonly believed that GRPO necessitates a large group size to ensure stable training via precise statistical estimation, which incurs substantial computational overhead. In this work, we challenge this assumption by reframing GRPO as a form of contrastive learning, which reveals a fundamental connection to Direct Preference Optimization (DPO). Motivated by DPO's empirical success, we investigate the minimal two-rollout case (2-GRPO), a configuration previously deemed infeasible. We provide a rigorous theoretical analysis to validate 2-GRPO and demonstrate empirically that it achieves performance on par with 16-GRPO, despite using only 1/8 of the rollouts and reducing training time by over 70%.
Authors: Chaoran Cheng, Yusong Wang, Yuxin Chen, Xiangxin Zhou, Nanning Zheng, Ge Liu
Abstract: Consistency models are a class of generative models that enable few-step generation for diffusion and flow matching models. While consistency models have achieved promising results on Euclidean domains like images, their applications to Riemannian manifolds remain challenging due to the curved geometry. In this work, we propose the Riemannian Consistency Model (RCM), which, for the first time, enables few-step consistency modeling while respecting the intrinsic manifold constraint imposed by the Riemannian geometry. Leveraging the covariant derivative and exponential-map-based parameterization, we derive the closed-form solutions for both discrete- and continuous-time training objectives for RCM. We then demonstrate theoretical equivalence between the two variants of RCM: Riemannian consistency distillation (RCD) that relies on a teacher model to approximate the marginal vector field, and Riemannian consistency training (RCT) that utilizes the conditional vector field for training. We further propose a simplified training objective that eliminates the need for the complicated differential calculation. Finally, we provide a unique kinematics perspective for interpreting the RCM objective, offering new theoretical angles. Through extensive experiments, we manifest the superior generative quality of RCM in few-step generation on various non-Euclidean manifolds, including flat-tori, spheres, and the 3D rotation group SO(3).
Authors: Maximilian Gollwitzer, Felix Dietrich
Abstract: Spiking Neural Networks (SNNs) as Machine Learning (ML) models have recently received a lot of attention as a potentially more energy-efficient alternative to conventional Artificial Neural Networks. The non-differentiability and sparsity of the spiking mechanism can make these models very difficult to train with algorithms based on propagating gradients through the spiking non-linearity. We address this problem by adapting the paradigm of Random Feature Methods (RFMs) from Artificial Neural Networks (ANNs) to Spike Response Model (SRM) SNNs. This approach allows training of SNNs without approximation of the spike function gradient. Concretely, we propose a novel data-driven, fast, high-performance, and interpretable algorithm for end-to-end training of SNNs inspired by the SWIM algorithm for RFM-ANNs, which we coin S-SWIM. We provide a thorough theoretical discussion and supplementary numerical experiments showing that S-SWIM can reach high accuracies on time series forecasting as a standalone strategy and serve as an effective initialisation strategy before gradient-based training. Additional ablation studies show that our proposed method performs better than random sampling of network weights.
Authors: Tavor Z. Baharav, Spyros Dragazis, Aldo Pacchiano
Abstract: We study the problem of sequentially testing individuals for a binary disease outcome whose true risk is governed by an unknown logistic model. At each round, a patient arrives with feature vector $x_t$, and the decision maker may either pay to administer a (noiseless) diagnostic test--revealing the true label--or skip testing and predict the patient's disease status based on their feature vector and prior history. Our goal is to minimize the total number of costly tests required while guaranteeing that the fraction of misclassifications does not exceed a prespecified error tolerance $\alpha$, with probability at least $1-\delta$. To address this, we develop a novel algorithm that interleaves label-collection and distribution estimation to estimate both $\theta^{*}$ and the context distribution $P$, and computes a conservative, data-driven threshold $\tau_t$ on the logistic score $|x_t^\top\theta|$ to decide when testing is necessary. We prove that, with probability at least $1-\delta$, our procedure does not exceed the target misclassification rate, and requires only $O(\sqrt{T})$ excess tests compared to the oracle baseline that knows both $\theta^{*}$ and the patient feature distribution $P$. This establishes the first no-regret guarantees for error-constrained logistic testing, with direct applications to cost-sensitive medical screening. Simulations corroborate our theoretical guarantees, showing that in practice our procedure efficiently estimates $\theta^{*}$ while retaining safety guarantees, and does not require too many excess tests.
Authors: David R. Johnson, Rishabh Anand, Smita Krishnaswamy, Michael Perlmutter
Abstract: We introduce a novel version of the geometric scattering transform for geometric graphs containing scalar and vector node features. This new scattering transform has desirable symmetries with respect to rigid-body roto-translations (i.e., $SE(3)$-equivariance) and may be incorporated into a geometric GNN framework. We empirically show that our equivariant scattering-based GNN achieves comparable performance to other equivariant message-passing-based GNNs at a fraction of the parameter count.
Authors: Zeru Shi, Yingjia Wan, Zhenting Wang, Qifan Wang, Fan Yang, Elisa Kreiss, Ruixiang Tang
Abstract: Motivated by the puzzling observation that inserting long sequences of meaningless tokens before the query prompt can consistently enhance LLM reasoning performance, this work analyzes the underlying mechanism driving this phenomenon and based on these insights proposes a more principled method that allows for similar performance gains. First, we find that the improvements arise from a redistribution of activations in the LLM's MLP layers, where near zero activations become less frequent while large magnitude activations increase. This redistribution enhances the model's representational capacity by suppressing weak signals and promoting stronger, more informative ones. Building on this insight, we propose the Activation Redistribution Module (ARM), a lightweight inference-time technique that modifies activations directly without altering the input sequence. ARM adaptively identifies near-zero activations after the non-linear function and shifts them outward, implicitly reproducing the beneficial effects of meaningless tokens in a controlled manner. Extensive experiments across diverse benchmarks and model architectures clearly show that ARM consistently improves LLM performance on reasoning tasks while requiring only a few lines of simple code to implement. Our findings deliver both a clear mechanistic explanation for the unexpected benefits of meaningless tokens and a simple yet effective technique that harnesses activation redistribution to further improve LLM performance.
Authors: Yongcheng Zeng, Zexu Sun, Bokai Ji, Erxue Min, Hengyi Cai, Shuaiqiang Wang, Dawei Yin, Haifeng Zhang, Xu Chen, Jun Wang
Abstract: Curriculum learning plays a crucial role in enhancing the training efficiency of large language models (LLMs) on reasoning tasks. However, existing methods often fail to adequately account for variations in prompt difficulty or rely on simplistic filtering mechanisms to select prompt datasets within a narrow criterion range, resulting in significant computational waste. In this work, we approach the problem from the perspective of reinforcement learning gradient optimization, offering a systematic and theoretical investigation into how to improve the training efficiency of LLMs. We identify two key factors influencing training efficiency: the selection of training prompts and the allocation of rollout quantities across different prompts. Our theoretical analysis reveals that the sampling distribution of prompts dictates the convergence rate of gradient descent, while the allocation of the rollout quantity influences the consistency and stability of overall gradient updates. Based on these insights, we propose CurES, an efficient training method that accelerates convergence and employs Bayesian posterior estimation to minimize computational overhead. Experiments demonstrate that our CurES outperforms Group Relative Policy Optimization (GRPO) by \textbf{+3.30} points and \textbf{+4.82} points with 1.5B and 7B models, respectively. Additionally, CurES exhibits faster convergence compared to baselines, including GRPO.
Authors: Vikas Dwivedi, Enrico Schiassi, Monica Sigovan, Bruno Sixou
Abstract: Physics-informed neural networks (PINNs) and related methods struggle to resolve sharp gradients in singularly perturbed boundary value problems without resorting to some form of domain decomposition, which often introduce complex interface penalties. While the Extreme Theory of Functional Connections (X-TFC) avoids multi-objective optimization by employing exact boundary condition enforcement, it remains computationally inefficient for boundary layers and incompatible with decomposition. We propose Gated X-TFC, a novel framework for both forward and inverse problems, that overcomes these limitations through a soft, learned domain decomposition. Our method replaces hard interfaces with a differentiable logistic gate that dynamically adapts radial basis function (RBF) kernel widths across the domain, eliminating the need for interface penalties. This approach yields not only superior accuracy but also dramatic improvements in computational efficiency: on a benchmark one dimensional (1D) convection-diffusion, Gated X-TFC achieves an order-of-magnitude lower error than standard X-TFC while using 80 percent fewer collocation points and reducing training time by 66 percent. In addition, we introduce an operator-conditioned meta-learning layer that learns a probabilistic mapping from PDE parameters to optimal gate configurations, enabling fast, uncertainty-aware warm-starting for new problem instances. We further demonstrate scalability to multiple subdomains and higher dimensions by solving a twin boundary-layer equation and a 2D Poisson problem with a sharp Gaussian source. Overall, Gated X-TFC delivers a simple alternative alternative to PINNs that is both accurate and computationally efficient for challenging boundar-layer regimes. Future work will focus on nonlinear problems.
Authors: Zichen Liu, Anya Sims, Keyu Duan, Changyu Chen, Simon Yu, Xiangxin Zhou, Haotian Xu, Shaopan Xiong, Bo Liu, Chenmien Tan, Chuen Yang Beh, Weixun Wang, Hao Zhu, Weiyan Shi, Diyi Yang, Michael Shieh, Yee Whye Teh, Wee Sun Lee, Min Lin
Abstract: The training paradigm for large language models (LLMs) is moving from static datasets to experience-based learning, where agents acquire skills via interacting with complex environments. To facilitate this transition we introduce GEM (General Experience Maker), an open-source environment simulator designed for the age of LLMs. Analogous to OpenAI-Gym for traditional reinforcement learning (RL), GEM provides a standardized framework for the environment-agent interface, including asynchronous vectorized execution for high throughput, and flexible wrappers for easy extensibility. GEM also features a diverse suite of environments, robust integrated tools, and single-file example scripts demonstrating using GEM with five popular RL training frameworks. Along with this, we also provide a set of baselines across 24 environments using REINFORCE with Return Batch Normalization (ReBN), which -- unlike GRPO -- is compatible with the full RL setting of dense per-turn rewards and offers better credit assignment. We further conduct apple-to-apple benchmarking of PPO, GRPO and REINFORCE in both single- and multi-turn settings using GEM to shed light on the algorithmic designs. Lastly, GEM also functions as a convenient evaluation toolkit besides a training environment. We hope this framework can help accelerate future agentic LLM research.
Authors: Bartosz Cywi\'nski, Emil Ryd, Rowan Wang, Senthooran Rajamanoharan, Neel Nanda, Arthur Conmy, Samuel Marks
Abstract: We study secret elicitation: discovering knowledge that an AI possesses but does not explicitly verbalize. As a testbed, we train three families of large language models (LLMs) to possess specific knowledge that they apply downstream but deny knowing when asked directly. For example, in one setting, we train an LLM to generate replies that are consistent with knowing the user is female, while denying this knowledge when asked directly. We then design various black-box and white-box secret elicitation techniques and evaluate them based on whether they can help an LLM auditor successfully guess the secret knowledge. Many of our techniques improve on simple baselines. Our most effective techniques (performing best in 2/3 settings) are based on prefill attacks, a black-box technique where the LLM reveals secret knowledge when generating a completion from a predefined prefix. In our remaining setting, white-box techniques based on logit lens and sparse autoencoders (SAEs) are most effective. We release our models and code, establishing a public benchmark for evaluating secret elicitation methods.
Authors: Mahyar Mahmoudi, Tieming Liu
Abstract: Preprint Note: This is the author preprint version of a paper accepted for presentation at the IISE Annual Conference & Expo 2025. The final version will appear in the official proceedings. Diabetic retinopathy (DR) is a leading cause of blindness in working-age adults, and current diagnostic methods rely on resource-intensive eye exams and specialized equipment. Image-based AI tools have shown limitations in early-stage detection, motivating the need for alternative approaches. We propose a non-image-based, two-level ensemble model for DR prediction using routine laboratory test results. In the first stage, base models (Linear SVC, Random Forest, Gradient Boosting, and XGBoost) are hyperparameter tuned and internally stacked across different configurations to optimize metrics such as accuracy, recall, and precision. In the second stage, predictions are aggregated using Random Forest as a meta-learner. This hierarchical stacking strategy improves generalization, balances performance across multiple metrics, and remains computationally efficient compared to deep learning approaches. The model achieved Accuracy 0.9433, F1 Score 0.9425, Recall 0.9207, Precision 0.9653, ROC-AUC 0.9844, and AUPRC 0.9875, surpassing one-level stacking and FCN baselines. These results highlight the model potential for accurate and interpretable DR risk prediction in clinical settings.
Authors: Andy Wu, Chun-Cheng Lin, Rung-Tzuo Liaw, Yuehua Huang, Chihjung Kuo, Chia Tong Weng
Abstract: Reinforcement learning has gathered much attention in recent years due to its rapid development and rich applications, especially on control systems and robotics. When tackling real-world applications with reinforcement learning method, the corresponded Markov decision process may have huge discrete or even continuous state/action space. Deep reinforcement learning has been studied for handling these issues through deep learning for years, and one promising branch is the actor-critic architecture. Many past studies leveraged multiple critics to enhance the accuracy of evaluation of a policy for addressing the overestimation and underestimation issues. However, few studies have considered the architecture with multiple actors together with multiple critics. This study proposes a novel multi-actor multi-critic (MAMC) deep deterministic reinforcement learning method. The proposed method has three main features, including selection of actors based on non-dominated sorting for exploration with respect to skill and creativity factors, evaluation for actors and critics using a quantile-based ensemble strategy, and exploiting actors with best skill factor. Theoretical analysis proves the learning stability and bounded estimation bias for the MAMC. The present study examines the performance on a well-known reinforcement learning benchmark MuJoCo. Experimental results show that the proposed framework outperforms state-of-the-art deep deterministic based reinforcement learning methods. Experimental analysis also indicates the proposed components are effective. Empirical analysis further investigates the validity of the proposed method, and shows its benefit on complicated problems. The source code can be found at https://github.com/AndyWu101/MAMC.
Authors: Viktor Sip, Martin Breyton, Spase Petkoski, Viktor Jirsa
Abstract: Learning stochastic models of dynamical systems underlying observed data is of interest in many scientific fields. Here we propose a novel method for this task, based on the framework of variational autoencoders for dynamical systems. The method estimates from the data both the system state trajectories and noise time series. This approach allows to perform multi-step system evolution and supports a teacher forcing strategy, alleviating limitations of autoencoder-based approaches for stochastic systems. We demonstrate the performance of the proposed approach on six test problems, covering simulated and experimental data. We further show the effects of the teacher forcing interval on the nature of the internal dynamics, and compare it to the deterministic models with equivalent architecture.
Authors: George Andriopoulos, Zixuan Dong, Bimarsha Adhikari, Keith Ross
Abstract: Neural multivariate regression underpins a wide range of domains such as control, robotics, and finance, yet the geometry of its learned representations remains poorly characterized. While neural collapse has been shown to benefit generalization in classification, we find that analogous collapse in regression consistently degrades performance. To explain this contrast, we analyze models through the lens of intrinsic dimension. Across control tasks and synthetic datasets, we estimate the intrinsic dimension of last-layer features (ID_H) and compare it with that of the regression targets (ID_Y). Collapsed models exhibit ID_H < ID_Y, leading to over-compression and poor generalization, whereas non-collapsed models typically maintain ID_H > ID_Y. For the non-collapsed models, performance with respect to ID_H depends on the data quantity and noise levels. From these observations, we identify two regimes (over-compressed and under-compressed) that determine when expanding or reducing feature dimensionality improves performance. Our results provide new geometric insights into neural regression and suggest practical strategies for enhancing generalization.
Authors: Felix Parker, Nimeesha Chan, Chi Zhang, Kimia Ghobadi
Abstract: Time series data is fundamental to decision-making in many crucial domains including healthcare, finance, and environmental science. However, analyzing this data often requires incorporating unstructured contextual information, answering domain-specific questions, and generating natural language explanations -- capabilities that traditional time series models lack due to their inability to process text. While Large Language Models (LLMs) excel at contextual reasoning and knowledge integration, they struggle with numerical time series due to inefficient text-based representations and limited exposure to temporal data during pretraining. We address this gap by augmenting an LLM with specialized time series perception through a patch-based encoder-decoder architecture. We train this Time Series-augmented LLM (TsLLM) on a large corpus of over 2 million interleaved time series and text examples spanning diverse analysis tasks: forecasting with contextual information, time series question-answering, pattern explanation, classification with natural language outputs, and report generation. This training enables TsLLM to leverage both its language understanding and newly acquired temporal reasoning capabilities. While not designed to surpass specialized models on traditional benchmarks, TsLLM demonstrates strong performance on tasks requiring the integration of time series analysis with natural language -- capabilities that existing approaches cannot provide. Our work establishes a new paradigm for time series analysis that bridges numerical computation and natural language understanding, democratizing access to sophisticated temporal reasoning through natural language interaction.
Authors: Kassahun Azezew, Minyechil Alehegn, Tsega Asresa, Bitew Mekuria, Tizazu Bayh, Ayenew Kassie, Amsalu Tesema, Animut Embiyale
Abstract: Because biometric data is sensitive, centralized training poses a privacy risk, even though biometric recognition is essential for contemporary applications. Federated learning (FL), which permits decentralized training, provides a privacy-preserving substitute. Conventional FL, however, has trouble with interpretability and heterogeneous data (non-IID). In order to handle non-IID biometric data, this framework adds an attention mechanism at the central server that weights local model updates according to their significance. Differential privacy and secure update protocols safeguard data while preserving accuracy. The A3-FL framework is evaluated in this study using FVC2004 fingerprint data, with each client's features extracted using a Siamese Convolutional Neural Network (Siamese-CNN). By dynamically modifying client contributions, the attention mechanism increases the accuracy of the global model.The accuracy, convergence speed, and robustness of the A3-FL framework are superior to those of standard FL (FedAvg) and static baselines, according to experimental evaluations using fingerprint data (FVC2004). The accuracy of the attention-based approach was 0.8413, while FedAvg, Local-only, and Centralized approaches were 0.8164, 0.7664, and 0.7997, respectively. Accuracy stayed high at 0.8330 even with differential privacy. A scalable and privacy-sensitive biometric system for secure and effective recognition in dispersed environments is presented in this work.
Authors: Felix Parker, Nimeesha Chan, Chi Zhang, Kimia Ghobadi
Abstract: Complex numerical time series analysis often demands multi-step reasoning capabilities beyond current models' reach. Tasks like medical diagnosis and weather forecasting require sequential reasoning processes -- including counterfactual analysis, logical deduction, knowledge application, and multi-modal contextual integration -- that existing time series models cannot explicitly perform. While recent research has shown large language models (LLMs) can achieve sophisticated Chain-of-Thought (CoT) reasoning through reinforcement learning (RL), these advances have primarily focused on mathematical and coding domains, with LLMs still demonstrating poor performance on time series tasks. We introduce Chain Of thought for Understanding Numerical Time Series (COUNTS), the first framework that trains LLMs to perform CoT reasoning across diverse time series tasks using RL with verifiable rewards. Our approach employs a Residual Vector-Quantized VAE to create high-fidelity discrete tokens that seamlessly integrate into a pre-trained LLM's vocabulary. COUNTS undergoes a two-stage training process: first, supervised fine-tuning on time series analysis tasks to master our novel representations, followed by Group Relative Policy Optimization training on verifiable problems using prompting strategies that encourage explicit reasoning steps before producing final answers. Our experiments demonstrate that this RL-driven approach with intermediate CoT reasoning significantly enhances LLM performance across various time series analysis tasks, opening new possibilities for complex temporal data reasoning.
Authors: Sarwan Ali, Haris Mansoor, Murray Patterson
Abstract: Genomic sequence analysis plays a crucial role in various scientific and medical domains. Traditional machine-learning approaches often struggle to capture the complex relationships and hierarchical structures of sequence data when working in high-dimensional Euclidean spaces. This limitation hinders accurate sequence classification and similarity measurement. To address these challenges, this research proposes a method to transform the feature representation of biological sequences into the hyperboloid space. By applying a transformation, the sequences are mapped onto the hyperboloid, preserving their inherent structural information. Once the sequences are represented in the hyperboloid space, a kernel matrix is computed based on the hyperboloid features. The kernel matrix captures the pairwise similarities between sequences, enabling more effective analysis of biological sequence relationships. This approach leverages the inner product of the hyperboloid feature vectors to measure the similarity between pairs of sequences. The experimental evaluation of the proposed approach demonstrates its efficacy in capturing important sequence correlations and improving classification accuracy.
Authors: Lovish Madaan, Aniket Didolkar, Suchin Gururangan, John Quan, Ruan Silva, Ruslan Salakhutdinov, Manzil Zaheer, Sanjeev Arora, Anirudh Goyal
Abstract: Reasoning training incentivizes LLMs to produce long chains of thought (long CoT), which among other things, allows them to explore solution strategies with self-checking. This results in higher accuracy, but inflates context length, token/compute cost, and answer latency. We ask: Can current models leverage their metacognition to provide other combinations on this Pareto frontier, e.g., better accuracy with lower context length and/or latency? Abstractly, we view the model as an improvement operator on its own "thoughts" with a continuum of possible strategies. We identify an interesting inference family Parallel-Distill-Refine (PDR), which performs the following: (i) generate diverse drafts in parallel; (ii) distill them into a bounded, textual workspace; and (iii) refine conditioned on this workspace, producing an output that seeds the next round. Importantly, context length (hence compute cost) is controllable via degree of parallelism, and is no longer conflated with the total number of generated tokens. We report PDR instantiations of current models that give better accuracy than long CoT while incurring lower latency. Setting degree of parallelism to 1 yields an interesting subcase, Sequential Refinement (SR) (iteratively improve a single candidate answer) which provides performance superior to long CoT. Success of such model orchestrations raises the question whether further training could shift the Pareto frontier. To this end, we train an 8B thinking model with Reinforcement Learning (RL) to make it consistent with PDR as the inference method. On math tasks with verifiable answers, iterative pipelines surpass single-pass baselines at matched sequential budgets, with PDR delivering the largest gains (e.g., +11% on AIME 2024 and +9% on AIME 2025).
Authors: Ruiyi Wang, Prithviraj Ammanabrolu
Abstract: We study what actually works and what doesn't for training large language models as agents via multi-turn reinforcement learning. Despite rapid progress, existing frameworks and definitions are fragmented, and there is no systematic formulation or analysis of which design choices matter across tasks. We address this gap by first breaking down the design space into three inter-related pillars -- environment, reward, and policy -- and empirically derive a recipe for training LLM agents in situated textual domains. In particular, we test TextWorld and ALFWorld, popular domains for testing situated embodied reasoning, as well as SWE-Gym for more software engineering style tasks. (i) For the environment, we analyze the impacts of task complexity in terms of sizes of the state and action spaces as well as optimal solution length, finding that even simple environments within a domain can provide signal on how well an agent can generalize to more complex tasks. (ii) For the reward, we ablate relative reward sparsity, observing that while dense turn-level rewards accelerate training, performance and stability is highly dependent on the choice of RL algorithm. (iii) And for the agent's policy, we explore the interplay between reward sparsity and biased (PPO, GRPO) and unbiased (RLOO) policy gradient methods in addition to showing how to find the optimal Supervised Fine-tuning (SFT) to RL training ratio given a fixed budget. We distill these findings into a training recipe that guides co-design across the three pillars, facilitating research and practical efforts in multi-turn agentic RL. Code: https://github.com/pearls-lab/meow-tea-taro
Authors: Zhaolin Gao, Joongwon Kim, Wen Sun, Thorsten Joachims, Sid Wang, Richard Yuanzhe Pang, Liang Tan
Abstract: We introduce Prompt Curriculum Learning (PCL), a lightweight reinforcement learning (RL) algorithm that selects intermediate-difficulty prompts using a learned value model to post-train language models. Since post-training LLMs via RL remains sensitive to batching and prompt selection strategies, we first conduct a series of systematic experiments where we (1) determine the optimal training batch size that balances generation efficiency and gradient quality and (2) establish the importance of focusing on prompts of intermediate difficulty for the policy. We build upon these results to design PCL, which identifies prompts of intermediate difficulty for the current policy in an on-policy manner by using a value model that is concurrently updated based on the current policy. By focusing on informative prompts that yield high effective ratios, PCL achieves either the highest performance or requires significantly less time to reach comparable performance to its counterparts. Compared to rollout-based filtering methods, PCL avoids costly rollouts and achieves $12.1\times$ and $16.9\times$ faster speed on identifying intermediate-difficulty prompts when training on MATH and DeepScaleR, respectively. We further demonstrate that our value model accurately predicts prompt difficulty and allows PCL to focus on progressively more challenging prompts during RL. Our results present a new methodology that delivers improved tradeoff between upper-bound performance and efficiency for reasoning-focused RL.
Authors: Vincent Ochs, Florentin Bieder, Sidaty el Hadramy, Paul Friedrich, Stephanie Taha-Mehlitz, Anas Taha, Philippe C. Cattin
Abstract: Tabular data builds the basis for a wide range of applications, yet real-world datasets are frequently incomplete due to collection errors, privacy restrictions, or sensor failures. As missing values degrade the performance or hinder the applicability of downstream models, and while simple imputing strategies tend to introduce bias or distort the underlying data distribution, we require imputers that provide high-quality imputations, are robust across dataset sizes and yield fast inference. We therefore introduce TabINR, an auto-decoder based Implicit Neural Representation (INR) framework that models tables as neural functions. Building on recent advances in generalizable INRs, we introduce learnable row and feature embeddings that effectively deal with the discrete structure of tabular data and can be inferred from partial observations, enabling instance adaptive imputations without modifying the trained model. We evaluate our framework across a diverse range of twelve real-world datasets and multiple missingness mechanisms, demonstrating consistently strong imputation accuracy, mostly matching or outperforming classical (KNN, MICE, MissForest) and deep learning based models (GAIN, ReMasker), with the clearest gains on high-dimensional datasets.
Authors: Ali Dadsetan, Frank Rudzicz
Abstract: We address the challenge of sample efficiency in differentially private fine-tuning of large language models (LLMs) using DP-SGD. While DP-SGD provides strong privacy guarantees, the added noise significantly increases the entropy of gradient matrices, disrupting their low-rank structure and slowing optimization. We propose a post-processing algorithm that leverages random matrix theory to denoise gradients, restore low-rank structure, and improve alignment with the original signal. Applied to DP-SGD fine-tuning of RoBERTa on GLUE tasks, our method improves sample efficiency compared to state-of-the-art approaches, substantially reducing training time when optimal performance is not required. This work demonstrates that matrix recovery techniques can enhance the utility of private language model training without compromising privacy guarantees.
Authors: Yesom Park, Shu Liu, Mo Zhou, Stanley Osher
Abstract: We present a novel framework for solving optimal transport (OT) problems based on the Hamilton--Jacobi (HJ) equation, whose viscosity solution uniquely characterizes the OT map. By leveraging the method of characteristics, we derive closed-form, bidirectional transport maps, thereby eliminating the need for numerical integration. The proposed method adopts a pure minimization framework: a single neural network is trained with a loss function derived from the method of characteristics of the HJ equation. This design guarantees convergence to the optimal map while eliminating adversarial training stages, thereby substantially reducing computational complexity. Furthermore, the framework naturally extends to a wide class of cost functions and supports class-conditional transport. Extensive experiments on diverse datasets demonstrate the accuracy, scalability, and efficiency of the proposed method, establishing it as a principled and versatile tool for OT applications with provable optimality.
Authors: Oskar Kviman, Kirill Tamogashev, Nicola Branchini, V\'ictor Elvira, Jens Lagergren, Nikolay Malkin
Abstract: Learning the dynamics of a process given sampled observations at several time points is an important but difficult task in many scientific applications. When no ground-truth trajectories are available, but one has only snapshots of data taken at discrete time steps, the problem of modelling the dynamics, and thus inferring the underlying trajectories, can be solved by multi-marginal generalisations of flow matching algorithms. This paper proposes a novel flow matching method that overcomes the limitations of existing multi-marginal trajectory inference algorithms. Our proposed method, ALI-CFM, uses a GAN-inspired adversarial loss to fit neurally parametrised interpolant curves between source and target points such that the marginal distributions at intermediate time points are close to the observed distributions. The resulting interpolants are smooth trajectories that, as we show, are unique under mild assumptions. These interpolants are subsequently marginalised by a flow matching algorithm, yielding a trained vector field for the underlying dynamics. We showcase the versatility and scalability of our method by outperforming the existing baselines on spatial transcriptomics and cell tracking datasets, while performing on par with them on single-cell trajectory prediction. Code: https://github.com/mmacosha/adversarially-learned-interpolants.
URLs: https://github.com/mmacosha/adversarially-learned-interpolants.
Authors: Haizhong Zheng, Jiawei Zhao, Bedi Chen
Abstract: Reinforcement learning has been central to recent advances in large language model reasoning, but most algorithms rely on on-policy training that demands fresh rollouts at every update, limiting efficiency and scalability. Asynchronous RL systems alleviate this by decoupling rollout generation from training, yet their effectiveness hinges on tolerating large staleness in rollout data, a setting where existing methods either degrade in performance or collapse. We revisit this challenge and uncover a prosperity-before-collapse phenomenon: stale data can be as informative as on-policy data if exploited properly. Building on this insight, we introduce M2PO (Second-Moment Trust Policy Optimization), which constrains the second moment of importance weights to suppress only extreme outliers while preserving informative updates. Notably, M2PO sharply reduces the fraction of clipped tokens under high staleness (from 1.22% to 0.06% over training), precisely masking high-variance tokens while maintaining stable optimization. Extensive evaluation across six models (from 1.7B to 32B) and eight benchmarks shows that M2PO delivers stable off-policy training even with data stale by at least 256 model updates and matches on-policy performance.
Authors: Wa\"iss Azizian, Ali Hasan
Abstract: The emergence of in-context learning (ICL) in large language models (LLMs) remains poorly understood despite its consistent effectiveness, enabling models to adapt to new tasks from only a handful of examples. To clarify and improve these capabilities, we characterize how the statistical properties of the pretraining distribution (e.g., tail behavior, coverage) shape ICL on numerical tasks. We develop a theoretical framework that unifies task selection and generalization, extending and sharpening earlier results, and show how distributional properties govern sample efficiency, task retrieval, and robustness. To this end, we generalize Bayesian posterior consistency and concentration results to heavy-tailed priors and dependent sequences, better reflecting the structure of LLM pretraining data. We then empirically study how ICL performance varies with the pretraining distribution on challenging tasks such as stochastic differential equations and stochastic processes with memory. Together, these findings suggest that controlling key statistical properties of the pretraining distribution is essential for building ICL-capable and reliable LLMs.
Authors: Yiran Shen, Yu Xia, Jonathan Chang, Prithviraj Ammanabrolu
Abstract: Aligning large language models to human preferences is inherently multidimensional, yet most pipelines collapse heterogeneous signals into a single optimizeable objective. We seek to answer what it would take to simultaneously align a model across various domains spanning those with: verifiable rewards (mathematical accuracy), non-verifiable subjective preferences (human values), and complex interactive scenarios (multi-turn AI tutoring dialogues). Such multi-objective reinforcement learning setups are often plagued by the individual objectives being at odds with each other, resulting in inefficient training and little user control during inference. We propose a unified framework that: (i) standardizes {process reward model} (PRM) training across both verifiable and non-verifiable settings to better supervise models' chain-of-thought reasoning; (ii) performs {multi-objective alignment} by training the LLM with our $\textbf{M}$ulti-$\textbf{A}$ction-$\textbf{H}$ead $\textbf{DPO}$ (MAH-DPO) and a vectorized reward where the dimensions of the vector correspond to the various objectives instead of a single scalar; and (iii) demonstrates how such a system provides fine-grained inference-time user control. Experiments across math reasoning, value alignment, and multi-turn dialogue show that our framework improves performance across multiple objectives simultaneously, while minimizing cross-objective trade-offs and enabling flexible inference time user control. The code can be found at https://github.com/pearls-lab/multiobj-align.
Authors: Jo\v{z}e M. Ro\v{z}anec, Tina \v{Z}ezlin, Laurentiu Vasiliu, Dunja Mladeni\'c, Radu Prodan, Dumitru Roman
Abstract: Data is vital in enabling machine learning models to advance research and practical applications in finance, where accurate and robust models are essential for investment and trading decision-making. However, real-world data is limited despite its quantity, quality, and variety. The data shortage of various financial assets directly hinders the performance of machine learning models designed to trade and invest in these assets. Generative methods can mitigate this shortage. In this paper, we introduce a set of novel techniques for time series data generation (we name them Fiaingen) and assess their performance across three criteria: (a) overlap of real-world and synthetic data on a reduced dimensionality space, (b) performance on downstream machine learning tasks, and (c) runtime performance. Our experiments demonstrate that the methods achieve state-of-the-art performance across the three criteria listed above. Synthetic data generated with Fiaingen methods more closely mirrors the original time series data while keeping data generation time close to seconds - ensuring the scalability of the proposed approach. Furthermore, models trained on it achieve performance close to those trained with real-world data.
Authors: Yudong Wei, Liang Zhang, Bingcong Li, Niao He
Abstract: While normalization techniques are widely used in deep learning, their theoretical understanding remains relatively limited. In this work, we establish the benefits of (generalized) weight normalization (WN) applied to the overparameterized matrix sensing problem. We prove that WN with Riemannian optimization achieves linear convergence, yielding an exponential speedup over standard methods that do not use WN. Our analysis further demonstrates that both iteration and sample complexity improve polynomially as the level of overparameterization increases. To the best of our knowledge, this work provides the first characterization of how WN leverages overparameterization for faster convergence in matrix sensing.
Authors: Gaoxiang Luo, Aryan Deshwal
Abstract: Selecting an optimal set of exemplars is critical for good performance of in-context learning. However, prior exemplar search methods narrowly optimize for predictive accuracy, critically neglecting model calibration--a key determinant of trustworthiness and safe deployment. In this paper, we formulate exemplar selection as a multi-objective optimization problem, explicitly targeting both the maximization of predictive accuracy and the minimization of expected calibration error. We solve this problem with a sample-efficient Combinatorial Bayesian Optimization algorithm (COM-BOM) to find the Pareto front that optimally trades off the two objectives of accuracy and calibration. We evaluate COM-BOM on multiple tasks from unsaturated MMLU-Pro benchmark and find that COM-BOM beats or matches the baselines at jointly optimizing the two objectives, while requiring a minimal number of LLM API calls.
Authors: Zhangchen Xu, Adriana Meza Soria, Shawn Tan, Anurag Roy, Ashish Sunil Agrawal, Radha Poovendran, Rameswar Panda
Abstract: Large Language Model (LLM) agents are rapidly emerging as powerful systems for automating tasks across domains. Yet progress in the open-source community is constrained by the lack of high quality permissively licensed tool-agentic training data. Existing datasets are often limited in diversity, realism, and complexity, particularly regarding multi-tool and multi-turn interactions. To address this gap, we introduce Toucan, the largest publicly available tool-agentic dataset to date, containing 1.5 million trajectories synthesized from nearly 500 real-world Model Context Protocols (MCPs). Unlike prior work, Toucan leverages authentic MCP environments to generate diverse, realistic, and challenging tasks with trajectories involving real tool execution. Our pipeline first produces a broad spectrum of tool-use queries using five distinct models, applies model-based quality filtering, and then generates agentic trajectories with three teacher models using two agentic frameworks. Rigorous rule-based and model-based validation ensures high-quality outputs. We also introduce three extension mechanisms to further diversify tasks and simulate multi-turn conversations. Models fine-tuned on Toucan outperform larger closed-source counterparts on the BFCL V3 benchmark and push the Pareto frontier forward on MCP-Universe Bench.
Authors: Jian Hu, Mingjie Liu, Ximing Lu, Fang Wu, Zaid Harchaoui, Shizhe Diao, Yejin Choi, Pavlo Molchanov, Jun Yang, Jan Kautz, Yi Dong
Abstract: Reinforcement Learning with Verifiable Rewards (RLVR) has emerged as a key ingredient for unlocking complex reasoning capabilities in large language models. Recent work ProRL has shown promise in scaling RL by increasing the number of training steps. However, performance plateaus after thousands of steps, with clear diminishing returns from allocating more computation to additional training. In this work, we investigate a complementary paradigm for scaling RL, BroR-Lincreasing the number of rollouts per example to hundreds to exhaustively Broaden exploration, which yields continuous performance gains beyond the saturation point observed in ProRL when scaling the number of training steps. Our approach is motivated by a mass balance equation analysis allowing us to characterize the rate of change in probability mass for correct and incorrect tokens during the reinforcement process. We show that under a one-step RL assumption, sampled rollout tokens always contribute to correct-mass expansion, while unsampled tokens outside rollouts may lead to gains or losses depending on their distribution and the net reward balance. Importantly, as the number of rollouts per example N increases, the effect of unsampled terms diminishes, ensuring overall correct-mass expansion. To validate our theoretical analysis, we conduct simulations under more relaxed conditions and find that a sufficiently large rollout size N-corresponding to ample exploration-guarantees an increase in the probability mass of all correct tokens. Empirically, BroRL revives models saturated after 3K ProRL training steps and demonstrates robust, continuous improvement, achieving state-of-the-art results for the 1.5B model across diverse benchmarks.
Authors: Yanbo Xu, Yu Wu, Sungjae Park, Zhizhuo Zhou, Shubham Tulsiani
Abstract: We present a mechanism to steer the sampling diversity of denoising diffusion and flow matching models, allowing users to sample from a sharper or broader distribution than the training distribution. We build on the observation that these models leverage (learned) score functions of noisy data distributions for sampling and show that rescaling these allows one to effectively control a `local' sampling temperature. Notably, this approach does not require any finetuning or alterations to training strategy, and can be applied to any off-the-shelf model and is compatible with both deterministic and stochastic samplers. We first validate our framework on toy 2D data, and then demonstrate its application for diffusion models trained across five disparate tasks -- image generation, pose estimation, depth prediction, robot manipulation, and protein design. We find that across these tasks, our approach allows sampling from sharper (or flatter) distributions, yielding performance gains e.g., depth prediction models benefit from sampling more likely depth estimates, whereas image generation models perform better when sampling a slightly flatter distribution. Project page: https://temporalscorerescaling.github.io
Authors: Leyla Mirvakhabova, Babak Ehteshami Bejnordi, Gaurav Kumar, Hanxue Liang, Wanru Zhao, Paul Whatmough
Abstract: Upcycling pre-trained dense models into sparse Mixture-of-Experts (MoEs) efficiently increases model capacity but often suffers from poor expert specialization due to naive weight replication. Our analysis reveals that upcycled MoEs, even with conventional regularization, exhibit low-confidence, weakly differentiated routing, hindering performance. We introduce Dirichlet-Prior Shaping Loss (DPSL), a novel router regularization technique that directly shapes routing probability distributions by matching expert assignments to a target Dirichlet prior. DPSL offers fine-grained control over expert balance and specialization, and enables encoding of inductive biases such as encouraging experts to focus on specific modalities or tasks, without requiring manual intervention; notably, DPSL is a general tool applicable to any module that outputs categorical probability distributions, extending its utility beyond MoE training. Experiments on upcycled MoE vision-language models (with Qwen2, Phi3, Llama3.2 LLM backbones) show DPSL consistently outperforms upcycling strategies and regularization techniques across standard vision-language benchmarks, addressing the critical issue of poor specialization and fostering more adaptive, higher-performing models.
Authors: Jeongjae Lee, Jong Chul Ye
Abstract: While reinforcement learning has advanced the alignment of text-to-image (T2I) models, state-of-the-art policy gradient methods are still hampered by training instability and high variance, hindering convergence speed and compromising image quality. Our analysis identifies a key cause of this instability: disproportionate credit assignment, in which the mathematical structure of the generative sampler produces volatile and non-proportional feedback across timesteps. To address this, we introduce Proportionate Credit Policy Optimization (PCPO), a framework that enforces proportional credit assignment through a stable objective reformulation and a principled reweighting of timesteps. This correction stabilizes the training process, leading to significantly accelerated convergence and superior image quality. The improvement in quality is a direct result of mitigating model collapse, a common failure mode in recursive training. PCPO substantially outperforms existing policy gradient baselines on all fronts, including the state-of-the-art DanceGRPO.
Authors: Eleonora Ristori, Luca Bindini, Paolo Frasconi
Abstract: Research on audio generation has progressively shifted from waveform-based approaches to spectrogram-based methods, which more naturally capture harmonic and temporal structures. At the same time, advances in image synthesis have shown that autoregression across scales, rather than tokens, improves coherence and detail. Building on these ideas, we introduce MARS (Multi-channel AutoRegression on Spectrograms), a framework that treats spectrograms as multi-channel images and employs channel multiplexing (CMX), a reshaping technique that lowers height and width without discarding information. A shared tokenizer provides consistent discrete representations across scales, enabling a transformer-based autoregressor to refine spectrograms from coarse to fine resolutions efficiently. Experiments on a large-scale dataset demonstrate that MARS performs comparably or better than state-of-the-art baselines across multiple evaluation metrics, establishing an efficient and scalable paradigm for high-fidelity audio generation.
Authors: Tianyang Luo, Xikun Zhang, Dongjin Song
Abstract: Why do trillion-dollar tech giants AAPL and MSFT diverge into different response patterns during market disruptions despite identical sector classifications? This paradox reveals a fundamental limitation: traditional community detection methods fail to capture synchronization-desynchronization patterns where entities move independently yet align during critical moments. To this end, we introduce FTSCommDetector, implementing our Temporal Coherence Architecture (TCA) to discover similar and dissimilar communities in continuous multivariate time series. Unlike existing methods that process each timestamp independently, causing unstable community assignments and missing evolving relationships, our approach maintains coherence through dual-scale encoding and static topology with dynamic attention. Furthermore, we establish information-theoretic foundations demonstrating how scale separation maximizes complementary information and introduce Normalized Temporal Profiles (NTP) for scale-invariant evaluation. As a result, FTSCommDetector achieves consistent improvements across four diverse financial markets (SP100, SP500, SP1000, Nikkei 225), with gains ranging from 3.5% to 11.1% over the strongest baselines. The method demonstrates remarkable robustness with only 2% performance variation across window sizes from 60 to 120 days, making dataset-specific tuning unnecessary, providing practical insights for portfolio construction and risk management.
Authors: Ziyi Zeng, Zhenyang Cai, Yixi Cai, Xidong Wang, Junying Chen, Rongsheng Wang, Yipeng Liu, Siqi Cai, Benyou Wang, Zhiguo Zhang, Haizhou Li
Abstract: Electroencephalography (EEG) interpretation using multimodal large language models (MLLMs) offers a novel approach for analyzing brain signals. However, the complex nature of brain activity introduces critical challenges: EEG signals simultaneously encode both cognitive processes and intrinsic neural states, creating a mismatch in EEG paired-data modality that hinders effective cross-modal representation learning. Through a pivot investigation, we uncover complementary relationships between these modalities. Leveraging this insight, we propose mapping EEG signals and their corresponding modalities into a unified semantic space to achieve generalized interpretation. To fully enable conversational capabilities, we further introduce WaveMind-Instruct-338k, the first cross-task EEG dataset for instruction tuning. The resulting model demonstrates robust classification accuracy while supporting flexible, open-ended conversations across four downstream tasks, thereby offering valuable insights for both neuroscience research and the development of general-purpose EEG models.
Authors: Usman Muhammad, Jorma Laaksonen
Abstract: Hyperspectral single image super-resolution (SISR) is a challenging task due to the difficulty of restoring fine spatial details while preserving spectral fidelity across a wide range of wavelengths, which limits the performance of conventional deep learning models. To address this challenge, we introduce Spectral-Spatial Unmixing Fusion (SSUF), a novel module that can be seamlessly integrated into standard 2D convolutional architectures to enhance both spatial resolution and spectral integrity. The SSUF combines spectral unmixing with spectral--spatial feature extraction and guides a ResNet-based convolutional neural network for improved reconstruction. In addition, we propose a custom Spatial-Spectral Gradient Loss function that integrates mean squared error with spatial and spectral gradient components, encouraging accurate reconstruction of both spatial and spectral features. Experiments on three public remote sensing hyperspectral datasets demonstrate that the proposed hybrid deep learning model achieves competitive performance while reducing model complexity.
Authors: Fahad Mostafa, Kannon Hossain, Hafiz Khan
Abstract: Early and accurate diagnosis of Alzheimer Disease is critical for effective clinical intervention, particularly in distinguishing it from Mild Cognitive Impairment, a prodromal stage marked by subtle structural changes. In this study, we propose a hybrid deep learning ensemble framework for Alzheimer Disease classification using structural magnetic resonance imaging. Gray and white matter slices are used as inputs to three pretrained convolutional neural networks such as ResNet50, NASNet, and MobileNet, each fine tuned through an end to end process. To further enhance performance, we incorporate a stacked ensemble learning strategy with a meta learner and weighted averaging to optimally combine the base models. Evaluated on the Alzheimer Disease Neuroimaging Initiative dataset, the proposed method achieves state of the art accuracy of 99.21% for Alzheimer Disease vs. Mild Cognitive Impairment and 91.0% for Mild Cognitive Impairment vs. Normal Controls, outperforming conventional transfer learning and baseline ensemble methods. To improve interpretability in image based diagnostics, we integrate Explainable AI techniques by Gradient weighted Class Activation, which generates heatmaps and attribution maps that highlight critical regions in gray and white matter slices, revealing structural biomarkers that influence model decisions. These results highlight the frameworks potential for robust and scalable clinical decision support in neurodegenerative disease diagnostics.
Authors: Anushka Mallick, Afiya Noorain, Ashwin Menon, Ashita Solanki, Keertan Balaji
Abstract: Sleep apnea is a serious sleep-related breathing disorder that is common and can impact health if left untreated. Currently the traditional method for screening and diagnosis is overnight polysomnography. Polysomnography is expensive and takes a lot of time, and is not practical for screening large groups of people. In this paper, we explored a more accessible option, using respiratory audio recordings to spot signs of apnea.We utilized 18 audio files.The approach involved converting breathing sounds into spectrograms, balancing the dataset by oversampling apnea segments, and applying class weights to reduce bias toward the majority class. The model reached a recall of 90.55 for apnea detection. Intentionally, prioritizing catching apnea events over general accuracy. Despite low precision,the high recall suggests potential as a low-cost screening tool that could be used at home or in basic clinical setups, potentially helping identify at-risk individuals much earlier.
Authors: Yucheng Xing, Ling Huang, Jingying Ma, Ruping Hong, Jiangdong Qiu, Pei Liu, Kai He, Huazhu Fu, Mengling Feng
Abstract: Pathology whole-slide images (WSIs) are widely used for cancer survival analysis because of their comprehensive histopathological information at both cellular and tissue levels, enabling quantitative, large-scale, and prognostically rich tumor feature analysis. However, most existing methods in WSI survival analysis struggle with limited interpretability and often overlook predictive uncertainty in heterogeneous slide images. In this paper, we propose DPsurv, a dual-prototype whole-slide image evidential fusion network that outputs uncertainty-aware survival intervals, while enabling interpretation of predictions through patch prototype assignment maps, component prototypes, and component-wise relative risk aggregation. Experiments on five publicly available datasets achieve the highest mean concordance index and the lowest mean integrated Brier score, validating the effectiveness and reliability of DPsurv. The interpretation of prediction results provides transparency at the feature, reasoning, and decision levels, thereby enhancing the trustworthiness and interpretability of DPsurv.
Authors: Chenhui Xu, Fuxun Yu, Michael J. Bianco, Jacob Kovarskiy, Raphael Tang, Qi Zhang, Zirui Xu, Will LeVine, Brandon Dubbs, Heming Liao, Cassandra Burgess, Suvam Bag, Jay Patravali, Rupanjali Kukal, Mikael Figueroa, Rishi Madhok, Nikolaos Karianakis, Jinjun Xiong
Abstract: We introduce Geo-R1, a reasoning-centric post-training framework that unlocks geospatial reasoning in vision-language models by combining thinking scaffolding and elevating. In the scaffolding stage, Geo-R1 instills a ``geospatial thinking paradigm" via supervised fine-tuning on synthetic chain-of-thought exemplars, enabling models to connect visual cues with geographic priors without costly human reasoning annotations. In the elevating stage, it uses GRPO-based reinforcement learning on a weakly-supervised cross-view pairing proxy. This design supplies a verifiable and scalable reward signal: teaching models to capture and reconcile features across modalities, and harnessing reasoning for accurate prediction. Geo-R1 extends geospatial modeling from domain pretraining / supervised finetuning to reasoning-first post-training, and achieves state-of-the-art performance across various geospatial reasoning benchmarks. Our model is available at https://huggingface.co/miniHui/Geo-R1.
Authors: Zhekai Li, Tianyi Ma, Cheng Hua, Ruihao Zhu
Abstract: Motivated by the need to efficiently identify multiple candidates in high trial-and-error cost tasks such as drug discovery, we propose a near-optimal algorithm to identify all {\epsilon}-best arms (i.e., those at most {\epsilon} worse than the optimum). Specifically, we introduce LinFACT, an algorithm designed to optimize the identification of all {\epsilon}-best arms in linear bandits. We establish a novel information-theoretic lower bound on the sample complexity of this problem and demonstrate that LinFACT achieves instance optimality by matching this lower bound up to a logarithmic factor. A key ingredient of our proof is to integrate the lower bound directly into the scaling process for upper bound derivation, determining the termination round and thus the sample complexity. We also extend our analysis to settings with model misspecification and generalized linear models. Numerical experiments, including synthetic and real drug discovery data, demonstrate that LinFACT identifies more promising candidates with reduced sample complexity, offering significant computational efficiency and accelerating early-stage exploratory experiments.
Authors: Xin Lyu
Abstract: We consider online and PAC learning of Littlestone classes subject to the constraint of approximate differential privacy. Our main result is a private learner to online-learn a Littlestone class with a mistake bound of $\tilde{O}(d^{9.5}\cdot \log(T))$ in the realizable case, where $d$ denotes the Littlestone dimension and $T$ the time horizon. This is a doubly-exponential improvement over the state-of-the-art [GL'21] and comes polynomially close to the lower bound for this task. The advancement is made possible by a couple of ingredients. The first is a clean and refined interpretation of the ``irreducibility'' technique from the state-of-the-art private PAC-learner for Littlestone classes [GGKM'21]. Our new perspective also allows us to improve the PAC-learner of [GGKM'21] and give a sample complexity upper bound of $\widetilde{O}(\frac{d^5 \log(1/\delta\beta)}{\varepsilon \alpha})$ where $\alpha$ and $\beta$ denote the accuracy and confidence of the PAC learner, respectively. This improves over [GGKM'21] by factors of $\frac{d}{\alpha}$ and attains an optimal dependence on $\alpha$. Our algorithm uses a private sparse selection algorithm to \emph{sample} from a pool of strongly input-dependent candidates. However, unlike most previous uses of sparse selection algorithms, where one only cares about the utility of output, our algorithm requires understanding and manipulating the actual distribution from which an output is drawn. In the proof, we use a sparse version of the Exponential Mechanism from [GKM'21] which behaves nicely under our framework and is amenable to a very easy utility proof.
Authors: Hai Huang
Abstract: We introduce \textbf{Directed Information $\gamma$-covering}, a simple but general framework for redundancy-aware context engineering. Directed information (DI), a causal analogue of mutual information, measures asymmetric predictiveness between chunks. If $\operatorname{DI}_{i \to j} \ge H(C_j) - \gamma$, then $C_i$ suffices to represent $C_j$ up to $\gamma$ bits. Building on this criterion, we formulate context selection as a $\gamma$-cover problem and propose a greedy algorithm with provable guarantees: it preserves query information within bounded slack, inherits $(1+\ln n)$ and $(1-1/e)$ approximations from submodular set cover, and enforces a diversity margin. Importantly, building the $\gamma$-cover is \emph{query-agnostic}: it incurs no online cost and can be computed once offline and amortized across all queries. Experiments on HotpotQA show that $\gamma$-covering consistently improves over BM25, a competitive baseline, and provides clear advantages in hard-decision regimes such as context compression and single-slot prompt selection. These results establish DI $\gamma$-covering as a principled, self-organizing backbone for modern LLM pipelines.
Authors: Hanjiang Hu, Bowei Li, Ziwei Wang, Tianhao Wei, Casidhe Hutchison, Eric Sample, Changliu Liu
Abstract: Deep neural networks have been widely adopted in many vision and robotics applications with visual inputs. It is essential to verify its robustness against semantic transformation perturbations, such as brightness and contrast. However, current certified training and robustness certification methods face the challenge of over-parameterization, which hinders the tightness and scalability due to the over-complicated neural networks. To this end, we first analyze stability and variance of layers and neurons against input perturbation, showing that certifiable robustness can be indicated by a fundamental Unbiased and Smooth Neuron metric (USN). Based on USN, we introduce a novel neural network pruning method that removes neurons with low USN and retains those with high USN, thereby preserving model expressiveness without over-parameterization. To further enhance this pruning process, we propose a new Wasserstein distance loss to ensure that pruned neurons are more concentrated across layers. We validate our approach through extensive experiments on the challenging robust keypoint detection task, which involves realistic brightness and contrast perturbations, demonstrating that our method achieves superior robustness certification performance and efficiency compared to baselines.
Authors: Anja Adamov, Markus Chardonnet, Florian Krach, Jakob Heiss, Josef Teichmann, Nicholas A. Bokulich
Abstract: Detecting anomalies in irregularly sampled multi-variate time-series is challenging, especially in data-scarce settings. Here we introduce an anomaly detection framework for irregularly sampled time-series that leverages neural jump ordinary differential equations (NJODEs). The method infers conditional mean and variance trajectories in a fully path dependent way and computes anomaly scores. On synthetic data containing jump, drift, diffusion, and noise anomalies, the framework accurately identifies diverse deviations. Applied to infant gut microbiome trajectories, it delineates the magnitude and persistence of antibiotic-induced disruptions: revealing prolonged anomalies after second antibiotic courses, extended duration treatments, and exposures during the second year of life. We further demonstrate the predictive capabilities of the inferred anomaly scores in accurately predicting antibiotic events and outperforming diversity-based baselines. Our approach accommodates unevenly spaced longitudinal observations, adjusts for static and dynamic covariates, and provides a foundation for inferring microbial anomalies induced by perturbations, offering a translational opportunity to optimize intervention regimens by minimizing microbial disruptions.
Authors: Sreetama Das, Gian Luca Giorgi, Roberta Zambrini
Abstract: We investigate quantum reservoir computing (QRC) using a hybrid qubit-boson system described by the Jaynes-Cummings (JC) Hamiltonian and its dispersive limit (DJC). These models provide high-dimensional Hilbert spaces and intrinsic nonlinear dynamics, making them powerful substrates for temporal information processing. We systematically benchmark both reservoirs through linear and nonlinear memory tasks, demonstrating that they exhibit an unusual superior nonlinear over linear memory capacity. We further test their predictive performance on the Mackey-Glass time series, a widely used benchmark for chaotic dynamics and show comparable forecasting ability. We also investigate how memory and prediction accuracy vary with reservoir parameters, and show the role of higher-order bosonic observables and time multiplexing in enhancing expressivity, even in minimal spin-boson configurations. Our results establish JC- and DJC-based reservoirs as versatile platforms for time-series processing and as elementary units that overcome the setting of equivalent qubit pairs and offer pathways towards tunable, high-performance quantum machine learning architectures.
Authors: Luis Burbano, Diego Ortiz, Qi Sun, Siwei Yang, Haoqin Tu, Cihang Xie, Yinzhi Cao, Alvaro A Cardenas
Abstract: Embodied Artificial Intelligence (AI) promises to handle edge cases in robotic vehicle systems where data is scarce by using common-sense reasoning grounded in perception and action to generalize beyond training distributions and adapt to novel real-world situations. These capabilities, however, also create new security risks. In this paper, we introduce CHAI (Command Hijacking against embodied AI), a new class of prompt-based attacks that exploit the multimodal language interpretation abilities of Large Visual-Language Models (LVLMs). CHAI embeds deceptive natural language instructions, such as misleading signs, in visual input, systematically searches the token space, builds a dictionary of prompts, and guides an attacker model to generate Visual Attack Prompts. We evaluate CHAI on four LVLM agents; drone emergency landing, autonomous driving, and aerial object tracking, and on a real robotic vehicle. Our experiments show that CHAI consistently outperforms state-of-the-art attacks. By exploiting the semantic and multimodal reasoning strengths of next-generation embodied AI systems, CHAI underscores the urgent need for defenses that extend beyond traditional adversarial robustness.
Authors: Anni Li, Aria Attar, Paul Dong
Abstract: Transforming natural-language requests into reliable, production-ready data transformations remains challenging: correctness depends on precise schema linking and warehouse-specific SQL dialects, while the strongest supervision available during training--execution success and result matching--are provided only at the sequence level. At the same time, assembling large, execution-validated corpora is costly, and token-level objectives misalign with these global signals, yielding unstable optimization and limited portability. We introduce Thinkquel, a fine-tuned model for producing robust, portable, and execution-validated database queries. Methodologies in Thinkquel integrates a novel synthetic data pipeline, TS-SQL, that leverages dbt as a portable intermediate representation with a span-aware reinforcement learning objective, and Token-Sequence GRPO (TS-GRPO), specifically designed to bridge the gap between token-level training signals and sequence-level execution rewards when finetuning LLMs. On the 500-example TS-SQL test set, Thinkquel (32B) reaches 93.2\% execution success and 61.8\% exact-result match with a two-stage SFT curriculum, improving over the base model by 67.2\% (exec.) and 44.4\% (match). In Spider (14B) experiments, TS-GRPO increases training stability and speeds convergence of the execution-match reward relative to GRPO and GSPO.
Authors: Manasa Kaniselvan, Benjamin Kurt Miller, Meng Gao, Juno Nam, Daniel S. Levine
Abstract: Machine-Learned Interatomic Potentials (MLIPs) require vast amounts of atomic structure data to learn forces and energies, and their performance continues to improve with training set size. Meanwhile, the even greater quantities of accompanying data in the Hamiltonian matrix H behind these datasets has so far gone unused for this purpose. Here, we provide a recipe for integrating the orbital interaction data within H towards training pipelines for atomic-level properties. We first introduce HELM ("Hamiltonian-trained Electronic-structure Learning for Molecules"), a state-of-the-art Hamiltonian prediction model which bridges the gap between Hamiltonian prediction and universal MLIPs by scaling to H of structures with 100+ atoms, high elemental diversity, and large basis sets including diffuse functions. To accompany HELM, we release a curated Hamiltonian matrix dataset, 'OMol_CSH_58k', with unprecedented elemental diversity (58 elements), molecular size (up to 150 atoms), and basis set (def2-TZVPD). Finally, we introduce 'Hamiltonian pretraining' as a method to extract meaningful descriptors of atomic environments even from a limited number atomic structures, and repurpose this shared embedding space to improve performance on energy-prediction in low-data regimes. Our results highlight the use of electronic interactions as a rich and transferable data source for representing chemical space.
Authors: Yue Meng, Fei Chen, Chuchu Fan
Abstract: Learning control policies for complex, long-horizon tasks is a central challenge in robotics and autonomous systems. Signal Temporal Logic (STL) offers a powerful and expressive language for specifying such tasks, but its non-Markovian nature and inherent sparse reward make it difficult to be solved via standard Reinforcement Learning (RL) algorithms. Prior RL approaches focus only on limited STL fragments or use STL robustness scores as sparse terminal rewards. In this paper, we propose TGPO, Temporal Grounded Policy Optimization, to solve general STL tasks. TGPO decomposes STL into timed subgoals and invariant constraints and provides a hierarchical framework to tackle the problem. The high-level component of TGPO proposes concrete time allocations for these subgoals, and the low-level time-conditioned policy learns to achieve the sequenced subgoals using a dense, stage-wise reward signal. During inference, we sample various time allocations and select the most promising assignment for the policy network to rollout the solution trajectory. To foster efficient policy learning for complex STL with multiple subgoals, we leverage the learned critic to guide the high-level temporal search via Metropolis-Hastings sampling, focusing exploration on temporally feasible solutions. We conduct experiments on five environments, ranging from low-dimensional navigation to manipulation, drone, and quadrupedal locomotion. Under a wide range of STL tasks, TGPO significantly outperforms state-of-the-art baselines (especially for high-dimensional and long-horizon cases), with an average of 31.6% improvement in task success rate compared to the best baseline. The code will be available at https://github.com/mengyuest/TGPO
Authors: Rohan Kadekodi, Zhan Jin, Keisuke Kamahori, Yile Gu, Sean Khatiri, Noah H. Bayindirli, Sergey Gorbunov, Baris Kasikci
Abstract: The deployment of Large Language Models (LLMs) as agentic orchestrators has revolutionized task automation, but the need for privacy-preserving, cost-effective solutions demands on-device inference capabilities. However, local LLMs consistently underperform compared to frontier models in tool calling scenarios, struggling with both tool selection from large tool sets and accurate argument generation for complex parameter structures. We introduce a methodology that disaggregates a tool-calling task into two distinct subtasks: tool selection and argument generation. We propose "decoupled fine-tuning", a novel post-training approach that employs LoRA fine-tuning to create dedicated LoRA adapters for tool selection and tool-specific argument generation using separate loss masking for each of the subtasks. Furthermore, we present DualTune, an inference framework that leverages the LoRA adapters created using decoupled fine-tuning to perform efficient agent orchestration with the help of local models on end-user devices. DualTune decomposes the tool-call generation step into tool selection and argument generation, and dynamically loads the corresponding LoRA adapters to generate tool calls. Additionally, DualTune implements hierarchical orchestration to restrict the number of tools required for tool selection. Our experiments on the MCP-Bench benchmark demonstrate that the Qwen-2.5-7B model trained using decoupled fine-tuning improves the tool calling accuracy of the base model by 46%, and outperforms other local reasoning, non-reasoning and fine-tuned models of similar size in all cases, and models that are 2x larger, in most cases.
Authors: Xin Xu, Xunzhi He, Churan Zhi, Ruizhe Chen, Julian McAuley, Zexue He
Abstract: Existing studies on bias mitigation methods for large language models (LLMs) use diverse baselines and metrics to evaluate debiasing performance, leading to inconsistent comparisons among them. Moreover, their evaluations are mostly based on the comparison between LLMs' probabilities of biased and unbiased contexts, which ignores the gap between such evaluations and real-world use cases where users interact with LLMs by reading model responses and expect fair and safe outputs rather than LLMs' probabilities. To enable consistent evaluation across debiasing methods and bridge this gap, we introduce BiasFreeBench, an empirical benchmark that comprehensively compares eight mainstream bias mitigation techniques (covering four prompting-based and four training-based methods) on two test scenarios (multi-choice QA and open-ended multi-turn QA) by reorganizing existing datasets into a unified query-response setting. We further introduce a response-level metric, Bias-Free Score, to measure the extent to which LLM responses are fair, safe, and anti-stereotypical. Debiasing performances are systematically compared and analyzed across key dimensions: the prompting vs. training paradigm, model size, and generalization of different training strategies to unseen bias types. We will publicly release our benchmark, aiming to establish a unified testbed for bias mitigation research.
Authors: Ehsan Aghaei, Sarthak Jain, Prashanth Arun, Arjun Sambamoorthy
Abstract: Effective analysis of cybersecurity and threat intelligence data demands language models that can interpret specialized terminology, complex document structures, and the interdependence of natural language and source code. Encoder-only transformer architectures provide efficient and robust representations that support critical tasks such as semantic search, technical entity extraction, and semantic analysis, which are key to automated threat detection, incident triage, and vulnerability assessment. However, general-purpose language models often lack the domain-specific adaptation required for high precision. We present SecureBERT 2.0, an enhanced encoder-only language model purpose-built for cybersecurity applications. Leveraging the ModernBERT architecture, SecureBERT 2.0 introduces improved long-context modeling and hierarchical encoding, enabling effective processing of extended and heterogeneous documents, including threat reports and source code artifacts. Pretrained on a domain-specific corpus more than thirteen times larger than its predecessor, comprising over 13 billion text tokens and 53 million code tokens from diverse real-world sources, SecureBERT 2.0 achieves state-of-the-art performance on multiple cybersecurity benchmarks. Experimental results demonstrate substantial improvements in semantic search for threat intelligence, semantic analysis, cybersecurity-specific named entity recognition, and automated vulnerability detection in code within the cybersecurity domain.
Authors: Mohammad Hassan Shakil, Arne Johan Pollestad, Khine Kyaw, Ziaul Haque Munim
Abstract: With the European Union introducing gender quotas on corporate boards, this study investigates the impact of board gender diversity (BGD) on firms' carbon emission performance (CEP). Using panel regressions and advanced machine learning algorithms on data from European firms between 2016 and 2022, the analyses reveal a significant non-linear relationship. Specifically, CEP improves with BGD up to an optimal level of approximately 35 percent, beyond which further increases in BGD yield no additional improvement in CEP. A minimum threshold of 22 percent BGD is necessary for meaningful improvements in CEP. To assess the legitimacy of CEP outcomes, this study examines whether ESG controversies affect the relationship between BGD and CEP. The results show no significant effect, suggesting that the effect of BGD is driven by governance mechanisms rather than symbolic actions. Additionally, structural equation modelling (SEM) indicates that while environmental innovation contributes to CEP, it is not the mediating channel through which BGD promotes CEP. The results have implications for academics, businesses, and regulators.
Authors: Yusuf Ziya Isik, Rafa{\l} {\L}aganowski
Abstract: The Low-Resource Audio Codec (LRAC) Challenge aims to advance neural audio coding for deployment in resource-constrained environments. The first edition focuses on low-resource neural speech codecs that must operate reliably under everyday noise and reverberation, while satisfying strict constraints on computational complexity, latency, and bitrate. Track 1 targets transparency codecs, which aim to preserve the perceptual transparency of input speech under mild noise and reverberation. Track 2 addresses enhancement codecs, which combine coding and compression with denoising and dereverberation. This paper presents the official baseline systems for both tracks in the 2025 LRAC Challenge. The baselines are convolutional neural codec models with Residual Vector Quantization, trained end-to-end using a combination of adversarial and reconstruction objectives. We detail the data filtering and augmentation strategies, model architectures, optimization procedures, and checkpoint selection criteria.
Authors: Maisha Maliha, Dean Hougen
Abstract: Understanding the decision-making process of Deep Reinforcement Learning agents remains a key challenge for deploying these systems in safety-critical and multi-agent environments. While prior explainability methods like StateMask, have advanced the identification of critical states, they remain limited by computational cost, exploration coverage, and lack of adaptation to multi-agent settings. To overcome these limitations, we propose a mathematically grounded framework, MAGIC-MASK (Multi-Agent Guided Inter-agent Collaboration with Mask-Based Explainability for Reinforcement Learning), that extends perturbation-based explanation to Multi-Agent Reinforcement Learning. Our method integrates Proximal Policy Optimization, adaptive epsilon-greedy exploration, and lightweight inter-agent collaboration to share masked state information and peer experience. This collaboration enables each agent to perform saliency-guided masking and share reward-based insights with peers, reducing the time required for critical state discovery, improving explanation fidelity, and leading to faster and more robust learning. The core novelty of our approach lies in generalizing explainability from single-agent to multi-agent systems through a unified mathematical formalism built on trajectory perturbation, reward fidelity analysis, and Kullback-Leibler divergence regularization. This framework yields localized, interpretable explanations grounded in probabilistic modeling and multi-agent Markov decision processes. We validate our framework on both single-agent and multi-agent benchmarks, including a multi-agent highway driving environment and Google Research Football, demonstrating that MAGIC-MASK consistently outperforms state-of-the-art baselines in fidelity, learning efficiency, and policy robustness while offering interpretable and transferable explanations.
Authors: Joe Barrow, Raj Patel, Misha Kharkovski, Ben Davies, Ryan Schmitt
Abstract: Black box large language models (LLMs) make information extraction (IE) easy to configure, but hard to trust. Unlike traditional information extraction pipelines, the information "extracted" is not guaranteed to be grounded in the document. To prevent this, this paper introduces the notion of a "safe passage": context generated by the LLM that is both grounded in the document and consistent with the extracted information. This is operationalized via a three-step pipeline, SafePassage, which consists of: (1) an LLM extractor that generates structured entities and their contexts from a document, (2) a string-based global aligner, and (3) a scoring model. Results show that using these three parts in conjunction reduces hallucinations by up to 85% on information extraction tasks with minimal risk of flagging non-hallucinations. High agreement between the SafePassage pipeline and human judgments of extraction quality mean that the pipeline can be dually used to evaluate LLMs. Surprisingly, results also show that using a transformer encoder fine-tuned on a small number of task-specific examples can outperform an LLM scoring model at flagging unsafe passages. These annotations can be collected in as little as 1-2 hours.
Authors: George Miloshevich, Luka Vranckx, Felipe Nathan de Oliveira Lopes, Pietro Dazzi, Giuseppe Arr\`o, Giovanni Lapenta
Abstract: In this work, we introduce a non-local five-moment electron pressure tensor closure parametrized by a Fully Convolutional Neural Network (FCNN). Electron pressure plays an important role in generalized Ohm's law, competing with electron inertia. This model is used in the development of a surrogate model for a fully kinetic energy-conserving semi-implicit Particle-in-Cell simulation of decaying magnetosheath turbulence. We achieve this by training FCNN on a representative set of simulations with a smaller number of particles per cell and showing that our results generalise to a simulation with a large number of particles per cell. We evaluate the statistical properties of the learned equation of state, with a focus on pressure-strain interaction, which is crucial for understanding energy channels in turbulent plasmas. The resulting equation of state learned via FCNN significantly outperforms local closures, such as those learned by Multi-Layer Perceptron (MLP) or double adiabatic expressions. We report that the overall spatial distribution of pressure-strain and its conditional averages are reconstructed well. However, some small-scale features are missed, especially for the off-diagonal components of the pressure tensor. Nevertheless, the results are substantially improved with more training data, indicating favorable scaling and potential for improvement, which will be addressed in future work.
Authors: Samar Fares, Nurbek Tastan, Noor Hussein, Karthik Nandakumar
Abstract: Generative models can generate photorealistic images at scale. This raises urgent concerns about the ability to detect synthetically generated images and attribute these images to specific sources. While watermarking has emerged as a possible solution, existing methods remain fragile to realistic distortions, susceptible to adaptive removal, and expensive to update when the underlying watermarking key changes. We propose a general watermarking framework that formulates the encoding problem as key-dependent perturbation of the parameters of a generative model. Within this framework, we introduce Mixture of LoRA Markers (MOLM), a routing-based instantiation in which binary keys activate lightweight LoRA adapters inside residual and attention blocks. This design avoids key-specific re-training and achieves the desired properties such as imperceptibility, fidelity, verifiability, and robustness. Experiments on Stable Diffusion and FLUX show that MOLM preserves image quality while achieving robust key recovery against distortions, compression and regeneration, averaging attacks, and black-box adversarial attacks on the extractor.
Authors: Vikram Krishnamurthy, Luke Snow
Abstract: We study counterfactual stochastic optimization of conditional loss functionals under misspecified and noisy gradient information. The difficulty is that when the conditioning event has vanishing or zero probability, naive Monte Carlo estimators are prohibitively inefficient; kernel smoothing, though common, suffers from slow convergence. We propose a two-stage kernel-free methodology. First, we show using Malliavin calculus that the conditional loss functional of a diffusion process admits an exact representation as a Skorohod integral, yielding variance comparable to classical Monte-Carlo variance. Second, we establish that a weak derivative estimate of the conditional loss functional with respect to model parameters can be evaluated with constant variance, in contrast to the widely used score function method whose variance grows linearly in the sample path length. Together, these results yield an efficient framework for counterfactual conditional stochastic gradient algorithms in rare-event regimes.
Authors: Anay Majee, Amitesh Gangrade, Rishabh Iyer
Abstract: Open-World Object Detection (OWOD) enriches traditional object detectors by enabling continual discovery and integration of unknown objects via human guidance. However, existing OWOD approaches frequently suffer from semantic confusion between known and unknown classes, alongside catastrophic forgetting, leading to diminished unknown recall and degraded known-class accuracy. To overcome these challenges, we propose Combinatorial Open-World Detection (CROWD), a unified framework reformulating unknown object discovery and adaptation as an interwoven combinatorial (set-based) data-discovery (CROWD-Discover) and representation learning (CROWD-Learn) task. CROWD-Discover strategically mines unknown instances by maximizing Submodular Conditional Gain (SCG) functions, selecting representative examples distinctly dissimilar from known objects. Subsequently, CROWD-Learn employs novel combinatorial objectives that jointly disentangle known and unknown representations while maintaining discriminative coherence among known classes, thus mitigating confusion and forgetting. Extensive evaluations on OWOD benchmarks illustrate that CROWD achieves improvements of 2.83% and 2.05% in known-class accuracy on M-OWODB and S-OWODB, respectively, and nearly 2.4x unknown recall compared to leading baselines.
Authors: G\"unter F. Steinke, Thomas Steinke
Abstract: Standard techniques for differentially private estimation, such as Laplace or Gaussian noise addition, require guaranteed bounds on the sensitivity of the estimator in question. But such sensitivity bounds are often large or simply unknown. Thus we seek differentially private methods that can be applied to arbitrary black-box functions. A handful of such techniques exist, but all are either inefficient in their use of data or require evaluating the function on exponentially many inputs. In this work we present a scheme that trades off between statistical efficiency (i.e., how much data is needed) and oracle efficiency (i.e., the number of evaluations). We also present lower bounds showing the near-optimality of our scheme.
Authors: Lucas Roberts, Denisa Roberts
Abstract: Code search is an important information retrieval application. Benefits of better code search include faster new developer on-boarding, reduced software maintenance, and ease of understanding for large repositories. Despite improvements in search algorithms and search benchmarks, the domain of code search has lagged behind. One reason is the high cost of human annotation for code queries and answers. While humans may annotate search results in general text QA systems, code annotations require specialized knowledge of a programming language (PL), as well as domain specific software engineering knowledge. In this work we study the use of Large Language Models (LLMs) to retrieve code at the level of functions and to generate annotations for code search results. We compare the impact of the retriever representation (sparse vs. semantic), programming language, and LLM by comparing human annotations across several popular languages (C, Java, Javascript, Go, and Python). We focus on repositories that implement common data structures likely to be implemented in any PLs. For the same human annotations, we compare several LLM-as-a-Judge models to evaluate programming language and other affinities between LLMs. We find that the chosen retriever and PL exhibit affinities that can be leveraged to improve alignment of human and AI relevance determinations, with significant performance implications. We also find differences in representation (sparse vs. semantic) across PLs that impact alignment of human and AI relevance determinations. We propose using transpilers to bootstrap scalable code search benchmark datasets in other PLs and in a case study demonstrate that human-AI relevance agreement rates largely match the (worst case) human-human agreement under study. The application code used in this work is available at \href{https://github.com/rlucas7/code-searcher/}{this github repo}.
Authors: Kieran Drury, Martine J. Barons, Jim Q. Smith
Abstract: Many Bayesian network modelling applications suffer from the issue of data scarcity. Hence the use of expert judgement often becomes necessary to determine the parameters of the conditional probability tables (CPTs) throughout the network. There are usually a prohibitively large number of these parameters to determine, even when complementing any available data with expert judgements. To address this challenge, a number of CPT approximation methods have been developed that reduce the quantity and complexity of parameters needing to be determined to fully parameterise a Bayesian network. This paper provides a review of a variety of structural refinement methods that can be used in practice to efficiently approximate a CPT within a Bayesian network. We not only introduce and discuss the intrinsic properties and requirements of each method, but we evaluate each method through a worked example on a Bayesian network model of cardiovascular risk assessment. We conclude with practical guidance to help Bayesian network practitioners choose an alternative approach when direct parameterisation of a CPT is infeasible.
Authors: T. James Brandt
Abstract: Adaptive chatbots that mimic a user's linguistic style can build rapport and engagement, yet unconstrained mimicry risks an agent that feels unstable or sycophantic. We present a computational evaluation framework that makes the core design tension explicit: balancing moment-to-moment linguistic synchrony against long-term persona stability. Using an 8-dimensional style vector and a closed-loop "base+delta" prompting architecture, we simulate and compare explicit adaptation policies - Uncapped, Cap, Exponential Moving Average (EMA), Dead-Band, and Hybrids - on a human-log dataset. Our analysis maps a clear Pareto frontier: bounded policies achieve substantial gains in stability at a modest cost to synchrony. For example, a Hybrid (EMA+Cap) raises stability from 0.542 to 0.878 (+62%) while reducing synchrony by only 17%. We confirm this trade-off through large-scale replications on three public corpora (DailyDialog, Persona-Chat, EmpatheticDialogues) and LLM-in-the-loop validation across two model families. Furthermore, we quantify "prompt legibility," showing that frontier policies reduce instruction churn and cut jarring register flips (major tone changes) from 0.254 to 0.092, yielding systems that are easier to reason about and maintain. Taken together, our framework provides a general evaluation harness for style adaptation; a systematic ablation that identifies Pareto-efficient policies; robust validation across diverse datasets and models; and novel legibility metrics linking policy choices to system maintainability.
Authors: Renee Ge, Qianli Liao, Tomaso Poggio
Abstract: Transformers have demonstrated remarkable performance in natural language processing and related domains, as they largely focus on sequential, autoregressive next-token prediction tasks. Yet, they struggle in logical reasoning, not necessarily because of a fundamental limitation of these models, but possibly due to the lack of exploration of more creative uses, such as latent space and recurrent reasoning. An emerging exploration in this direction is the Hierarchical Reasoning Model (Wang et al., 2025), which introduces a novel type of recurrent reasoning in the latent space of transformers, achieving remarkable performance on a wide range of 2D reasoning tasks. Despite the promising results, this line of models is still at an early stage and calls for in-depth investigation. In this work, we perform a critical review on this class of models, examine key design choices and present intriguing variants that achieve significantly better performance on the Sudoku-Extreme and Maze-Hard tasks than previously reported. Our results also raise surprising observations and intriguing directions for further research.
Authors: Eric Gelphman, Deepanshu Verma, Nicole Tianjiao Yang, Stanley Osher, Samy Wu Fung
Abstract: Neural network approaches that parameterize value functions have succeeded in approximating high-dimensional optimal feedback controllers when the Hamiltonian admits explicit formulas. However, many practical problems, such as the space shuttle reentry problem and bicycle dynamics, among others, may involve implicit Hamiltonians that do not admit explicit formulas, limiting the applicability of existing methods. Rather than directly parameterizing controls, which does not leverage the Hamiltonian's underlying structure, we propose an end-to-end implicit deep learning approach that directly parameterizes the value function to learn optimal control laws. Our method enforces physical principles by ensuring trained networks adhere to the control laws by exploiting the fundamental relationship between the optimal control and the value function's gradient; this is a direct consequence of the connection between Pontryagin's Maximum Principle and dynamic programming. Using Jacobian-Free Backpropagation (JFB), we achieve efficient training despite temporal coupling in trajectory optimization. We show that JFB produces descent directions for the optimal control objective and experimentally demonstrate that our approach effectively learns high-dimensional feedback controllers across multiple scenarios involving implicit Hamiltonians, which existing methods cannot address.
Authors: Dehao Dai, Jianqing Fan, Yihong Gu, Debarghya Mukherjee
Abstract: Neural network-based methods for (un)conditional density estimation have recently gained substantial attention, as various neural density estimators have outperformed classical approaches in real-data experiments. Despite these empirical successes, implementation can be challenging due to the need to ensure non-negativity and unit-mass constraints, and theoretical understanding remains limited. In particular, it is unclear whether such estimators can adaptively achieve faster convergence rates when the underlying density exhibits a low-dimensional structure. This paper addresses these gaps by proposing a structure-agnostic neural density estimator that is (i) straightforward to implement and (ii) provably adaptive, attaining faster rates when the true density admits a low-dimensional composition structure. Another key contribution of our work is to show that the proposed estimator integrates naturally into generative sampling pipelines, most notably score-based diffusion models, where it achieves provably faster convergence when the underlying density is structured. We validate its performance through extensive simulations and a real-data application.
Authors: Morgan D. Sanger, Brett W. Maurer
Abstract: Earthquake ground motions and the related damage can be significantly impacted by near-surface soils. Accurate predictions of seismic hazard require depth-continuous models of soil stiffness, commonly described in terms of shear-wave velocity (VS). For regional-scale studies, efforts to predict VS remotely, such as the U.S. Geological Survey's National Crustal Model, tend to emphasize deeper lithologic velocity structures, thus simplifying important near-surface soil velocity variations, and tend to be produced at relatively coarse geospatial resolution for one geographic area. In this study, we define a functional form to describe VS-with-depth across the conterminous U.S. We calibrate the parameters of the function using a national compilation of more than 9,000 in-situ geotechnical measurements. By coupling the parametric framework with geospatial machine learning, the model can be leveraged to provide consistent, high resolution VS-depth predictions of the near-surface geotechnical layer across the U.S., complementing the National Crustal Model and supporting applications such as physics-based ground motion simulations and coseismic hazard assessments.
Authors: Muhammad Omer Latif, Hayat Ullah, Muhammad Ali Shafique, Zhihua Dong
Abstract: Epilepsy is a chronic neurological condition characterized by recurrent seizures, with global prevalence estimated at 50 million people worldwide. While progress in high-throughput sequencing has allowed for broad-based transcriptomic profiling of brain tissues, the deciphering of these highly complex datasets remains one of the challenges. To address this issue, in this paper we propose a new analysis pipeline that integrates the power of deep learning strategies with GPU-acceleration computation for investigating Gene expression patterns in epilepsy. Specifically, our proposed approach employs GPT-2 XL, a transformer-based Large Language Model (LLM) with 1.5 billion parameters for genomic sequence analysis over the latest NVIDIA H100 Tensor Core GPUs based on Hopper architecture. Our proposed method enables efficient preprocessing of RNA sequence data, gene sequence encoding, and subsequent pattern identification. We conducted experiments on two epilepsy datasets including GEO accession GSE264537 and GSE275235. The obtained results reveal several significant transcriptomic modifications, including reduced hippocampal astrogliosis after ketogenic diet treatment as well as restored excitatory-inhibitory signaling equilibrium in zebrafish epilepsy model. Moreover, our results highlight the effectiveness of leveraging LLMs in combination with advanced hardware acceleration for transcriptomic characterization in neurological diseases.
Authors: Jiaye Tan, Haonan Luo, Linfeng Song, Shuaiqi Chen, Yishan Lyu, Zian Zhong, Roujia Wang, Daniel Jiang, Haoran Zhang, Jiaming Bai, Haoran Cheng, Q. Vera Liao, Hao-Wen Dong
Abstract: Low-latency symbolic music generation is essential for real-time improvisation and human-AI co-creation. Existing transformer-based models, however, face a trade-off between inference speed and musical quality. Traditional acceleration techniques such as embedding pooling significantly degrade quality, while recently proposed Byte Pair Encoding (BPE) methods - though effective on single-track piano data - suffer large performance drops in multi-track settings, as revealed by our analysis. We propose Attribute-Specialized Key-Value Head Sharing (AS-KVHS), adapted to music's structured symbolic representation, achieving about 30% inference speedup with only a negligible (about 0.4%) quality drop in objective evaluations and slight improvements in subjective listening tests. Our main contributions are (1) the first systematic study of BPE's generalizability in multi-track symbolic music, and (2) the introduction of AS-KVHS for low-latency symbolic music generation. Beyond these, we also release SAGE-Music, an open-source benchmark that matches or surpasses state-of-the-art models in generation quality.
Authors: Shounak Sural, Charles Kekeh, Wenliang Liu, Federico Pecora, Mouhacine Benosman
Abstract: Long-horizon motion forecasting for multiple autonomous robots is challenging due to non-linear agent interactions, compounding prediction errors, and continuous-time evolution of dynamics. Learned dynamics of such a system can be useful in various applications such as travel time prediction, prediction-guided planning and generative simulation. In this work, we aim to develop an efficient trajectory forecasting model conditioned on multi-agent goals. Motivated by the recent success of physics-guided deep learning for partially known dynamical systems, we develop a model based on neural Controlled Differential Equations (CDEs) for long-horizon motion forecasting. Unlike discrete-time methods such as RNNs and transformers, neural CDEs operate in continuous time, allowing us to combine physics-informed constraints and biases to jointly model multi-robot dynamics. Our approach, named PINCoDE (Physics-Informed Neural Controlled Differential Equations), learns differential equation parameters that can be used to predict the trajectories of a multi-agent system starting from an initial condition. PINCoDE is conditioned on future goals and enforces physics constraints for robot motion over extended periods of time. We adopt a strategy that scales our model from 10 robots to 100 robots without the need for additional model parameters, while producing predictions with an average ADE below 0.5 m for a 1-minute horizon. Furthermore, progressive training with curriculum learning for our PINCoDE model results in a 2.7X reduction of forecasted pose error over 4 minute horizons compared to analytical models.
Authors: Frank E. Curtis, Lingjun Guo, Daniel P. Robinson
Abstract: An algorithm is proposed, analyzed, and tested for solving continuous nonlinear-equality-constrained optimization problems where the constraints are defined by an expectation or an average over a large (finite) number of terms. The main idea of the algorithm is to solve a sequence of equality-constrained problems, each involving a finite sample of constraint-function terms, over which the sample set grows progressively. Under assumptions about the constraint functions and their first- and second-order derivatives that are reasonable in some real-world settings of interest, it is shown that -- with a sufficiently large initial sample -- solving a sequence of problems defined through progressive sampling yields a better worst-case sample complexity bound compared to solving a single problem with a full set of samples. The results of numerical experiments with a set of test problems demonstrate that the proposed approach can be effective in practice.
Authors: Pierre Fayolle, Alexandre B\^one, No\"elie Debs, Pihlippe Robert, Pascal Bourdon, Remy Guillevin, David Helbert
Abstract: Gadolinium-based contrast agents (GBCAs) are widely used in magnetic resonance imaging (MRI) to enhance lesion detection and characterisation, particularly in the field of neuro-oncology. Nevertheless, concerns regarding gadolinium retention and accumulation in brain and body tissues, most notably for diseases that require close monitoring and frequent GBCA injection, have led to the need for strategies to reduce dosage. In this study, a deep learning framework is proposed for the virtual contrast enhancement of full-dose post-contrast T1-weighted MRI images from corresponding low-dose acquisitions. The contribution of the presented model is its utilisation of longitudinal information, which is achieved by incorporating a prior full-dose MRI examination from the same patient. A comparative evaluation against a non-longitudinal single session model demonstrated that the longitudinal approach significantly improves image quality across multiple reconstruction metrics. Furthermore, experiments with varying simulated contrast doses confirmed the robustness of the proposed method. These results emphasize the potential of integrating prior imaging history into deep learning-based virtual contrast enhancement pipelines to reduce GBCA usage without compromising diagnostic utility, thus paving the way for safer, more sustainable longitudinal monitoring in clinical MRI practice.
Authors: Dalal Alharthi, Ivan Roberto Kawaminami Garcia
Abstract: Large language models have gained widespread prominence, yet their vulnerability to prompt injection and other adversarial attacks remains a critical concern. This paper argues for a security-by-design AI paradigm that proactively mitigates LLM vulnerabilities while enhancing performance. To achieve this, we introduce PromptShield, an ontology-driven framework that ensures deterministic and secure prompt interactions. It standardizes user inputs through semantic validation, eliminating ambiguity and mitigating adversarial manipulation. To assess PromptShield's security and performance capabilities, we conducted an experiment on an agent-based system to analyze cloud logs within Amazon Web Services (AWS), containing 493 distinct events related to malicious activities and anomalies. By simulating prompt injection attacks and assessing the impact of deploying PromptShield, our results demonstrate a significant improvement in model security and performance, achieving precision, recall, and F1 scores of approximately 94%. Notably, the ontology-based framework not only mitigates adversarial threats but also enhances the overall performance and reliability of the system. Furthermore, PromptShield's modular and adaptable design ensures its applicability beyond cloud security, making it a robust solution for safeguarding generative AI applications across various domains. By laying the groundwork for AI safety standards and informing future policy development, this work stimulates a crucial dialogue on the pivotal role of deterministic prompt engineering and ontology-based validation in ensuring the safe and responsible deployment of LLMs in high-stakes environments.
Authors: Dalal Alharthi, Ivan Roberto Kawaminami Garcia
Abstract: Large Language Models (LLMs) have gained prominence in domains including cloud security and forensics. Yet cloud forensic investigations still rely on manual analysis, making them time-consuming and error-prone. LLMs can mimic human reasoning, offering a pathway to automating cloud log analysis. To address this, we introduce the Cloud Investigation Automation Framework (CIAF), an ontology-driven framework that systematically investigates cloud forensic logs while improving efficiency and accuracy. CIAF standardizes user inputs through semantic validation, eliminating ambiguity and ensuring consistency in log interpretation. This not only enhances data quality but also provides investigators with reliable, standardized information for decision-making. To evaluate security and performance, we analyzed Microsoft Azure logs containing ransomware-related events. By simulating attacks and assessing CIAF's impact, results showed significant improvement in ransomware detection, achieving precision, recall, and F1 scores of 93 percent. CIAF's modular, adaptable design extends beyond ransomware, making it a robust solution for diverse cyberattacks. By laying the foundation for standardized forensic methodologies and informing future AI-driven automation, this work underscores the role of deterministic prompt engineering and ontology-based validation in enhancing cloud forensic investigations. These advancements improve cloud security while paving the way for efficient, automated forensic workflows.
Authors: Daofu Zhang, Mehrdad Pournaderi, Hanne M. Clifford, Yu Xiang, Pramod K. Varshney
Abstract: This paper studies the adversarial robustness of conformal novelty detection. In particular, we focus on AdaDetect, a powerful learning-based framework for novelty detection with finite-sample false discovery rate (FDR) control. While AdaDetect provides rigorous statistical guarantees under benign conditions, its behavior under adversarial perturbations remains unexplored. We first formulate an oracle attack setting that quantifies the worst-case degradation of FDR, deriving an upper bound that characterizes the statistical cost of attacks. This idealized formulation directly motivates a practical and effective attack scheme that only requires query access to AdaDetect's output labels. Coupling these formulations with two popular and complementary black-box adversarial algorithms, we systematically evaluate the vulnerability of AdaDetect on synthetic and real-world datasets. Our results show that adversarial perturbations can significantly increase the FDR while maintaining high detection power, exposing fundamental limitations of current error-controlled novelty detection methods and motivating the development of more robust alternatives.
Authors: Arushi Sharma, Vedant Pungliya, Christopher J. Quinn, Ali Jannesari
Abstract: Interpreting the internal behavior of large language models trained on code remains a critical challenge, particularly for applications demanding trust, transparency, and semantic robustness. We propose Code Concept Analysis (CoCoA): a global post-hoc interpretability framework that uncovers emergent lexical, syntactic, and semantic structures in a code language model's representation space by clustering contextualized token embeddings into human-interpretable concept groups. We propose a hybrid annotation pipeline that combines static analysis tool-based syntactic alignment with prompt-engineered large language models (LLMs), enabling scalable labeling of latent concepts across abstraction levels. We analyse the distribution of concepts across layers and across three finetuning tasks. Emergent concept clusters can help identify unexpected latent interactions and be used to identify trends and biases within the model's learned representations. We further integrate LCA with local attribution methods to produce concept-grounded explanations, improving the coherence and interpretability of token-level saliency. Empirical evaluations across multiple models and tasks show that LCA discovers concepts that remain stable under semantic-preserving perturbations (average Cluster Sensitivity Index, CSI = 0.288) and evolve predictably with fine-tuning. In a user study, concept-augmented explanations disambiguate token roles. In a user study on the programming-language classification task, concept-augmented explanations disambiguated token roles and improved human-centric explainability by 37 percentage points compared with token-level attributions using Integrated Gradients.
Authors: Hong-Yi Wang, Di Luo, Tomaso Poggio, Isaac L. Chuang, Liu Ziyin
Abstract: When training large-scale models, the performance typically scales with the number of parameters and the dataset size according to a slow power law. A fundamental theoretical and practical question is whether comparable performance can be achieved with significantly smaller models and substantially less data. In this work, we provide a positive and constructive answer. We prove that a generic permutation-invariant function of $d$ objects can be asymptotically compressed into a function of $\operatorname{polylog} d$ objects with vanishing error. This theorem yields two key implications: (Ia) a large neural network can be compressed to polylogarithmic width while preserving its learning dynamics; (Ib) a large dataset can be compressed to polylogarithmic size while leaving the loss landscape of the corresponding model unchanged. (Ia) directly establishes a proof of the \textit{dynamical} lottery ticket hypothesis, which states that any ordinary network can be strongly compressed such that the learning dynamics and result remain unchanged. (Ib) shows that a neural scaling law of the form $L\sim d^{-\alpha}$ can be boosted to an arbitrarily fast power law decay, and ultimately to $\exp(-\alpha' \sqrt[m]{d})$.
Authors: Yuanfang Xiang, Lun Ai
Abstract: The transcriptional response to genetic perturbation reveals fundamental insights into complex cellular systems. While current approaches have made progress in predicting genetic perturbation responses, they provide limited biological understanding and cannot systematically refine existing knowledge. Overcoming these limitations requires an end-to-end integration of data-driven learning and existing knowledge. However, this integration is challenging due to inconsistencies between data and knowledge bases, such as noise, misannotation, and incompleteness. To address this challenge, we propose ALIGNED (Adaptive aLignment for Inconsistent Genetic kNowledgE and Data), a neuro-symbolic framework based on the Abductive Learning (ABL) paradigm. This end-to-end framework aligns neural and symbolic components and performs systematic knowledge refinement. We introduce a balanced consistency metric to evaluate the predictions' consistency against both data and knowledge. Our results show that ALIGNED outperforms state-of-the-art methods by achieving the highest balanced consistency, while also re-discovering biologically meaningful knowledge. Our work advances beyond existing methods to enable both the transparency and the evolution of mechanistic biological understanding.
Authors: Samuel Pfisterer, Florian Gr\"otschla, Luca A. Lanzend\"orfer, Florian Yan, Roger Wattenhofer
Abstract: Recent progress in speech processing has highlighted that high-quality performance across languages requires substantial training data for each individual language. While existing multilingual datasets cover many languages, they often contain insufficient data for most languages. Thus, trained models perform poorly on the majority of the supported languages. Our work addresses this challenge by introducing a scalable pipeline for constructing speech datasets from parliamentary recordings. The proposed pipeline includes robust components for media retrieval and a two-stage alignment algorithm designed to handle non-verbatim transcripts and long-form audio. Applying this pipeline to recordings from 22 European parliaments, we extract over 61k hours of aligned speech segments, achieving substantial per-language coverage with 19 languages exceeding 1k hours and 22 languages exceeding 500 hours of high-quality speech data. We obtain an average 41.8\% reduction in word error rates over baselines when finetuning an existing ASR model on our dataset, demonstrating the usefulness of our approach.
Authors: Gaotang Li, Ruizhong Qiu, Xiusi Chen, Heng Ji, Hanghang Tong
Abstract: Supervised fine-tuning (SFT) is the standard approach for post-training large language models (LLMs), yet it often shows limited generalization. We trace this limitation to its default training objective: negative log likelihood (NLL). While NLL is classically optimal when training from scratch, post-training operates in a different paradigm and could violate its optimality assumptions, where models already encode task-relevant priors and supervision can be long and noisy. To this end, we study a general family of probability-based objectives and characterize their effectiveness under different conditions. Through comprehensive experiments and extensive ablation studies across 7 model backbones, 14 benchmarks, and 3 domains, we uncover a critical dimension that governs objective behavior: the model-capability continuum. Near the model-strong end, prior-leaning objectives that downweight low-probability tokens (e.g., $-p$, $-p^{10}$, thresholded variants) consistently outperform NLL; toward the model-weak end, NLL dominates; in between, no single objective prevails. Our theoretical analysis further elucidates how objectives trade places across the continuum, providing a principled foundation for adapting objectives to model capability. Our code is available at https://github.com/GaotangLi/Beyond-Log-Likelihood.
Authors: Seokhun Park, Choeun Kim, Jihu Lee, Yunseop Shin, Insung Kong, Yongdai Kim
Abstract: With the increasing demand for interpretability in machine learning, functional ANOVA decomposition has gained renewed attention as a principled tool for breaking down high-dimensional function into low-dimensional components that reveal the contributions of different variable groups. Recently, Tensor Product Neural Network (TPNN) has been developed and applied as basis functions in the functional ANOVA model, referred to as ANOVA-TPNN. A disadvantage of ANOVA-TPNN, however, is that the components to be estimated must be specified in advance, which makes it difficult to incorporate higher-order TPNNs into the functional ANOVA model due to computational and memory constraints. In this work, we propose Bayesian-TPNN, a Bayesian inference procedure for the functional ANOVA model with TPNN basis functions, enabling the detection of higher-order components with reduced computational cost compared to ANOVA-TPNN. We develop an efficient MCMC algorithm and demonstrate that Bayesian-TPNN performs well by analyzing multiple benchmark datasets. Theoretically, we prove that the posterior of Bayesian-TPNN is consistent.
Authors: Shojiro Yamabe, Jun Sakuma
Abstract: Diffusion language models (DLMs) generate tokens in parallel through iterative denoising, which can reduce latency and enable bidirectional conditioning. However, the safety risks posed by jailbreak attacks that exploit this inference mechanism are not well understood. In this paper, we reveal that DLMs have a critical vulnerability stemming from their iterative denoising process and propose a countermeasure. Specifically, our investigation shows that if an affirmative token for a harmful query appears at an intermediate step, subsequent denoising can be steered toward a harmful response even in aligned models. As a result, simply injecting such affirmative tokens can readily bypass the safety guardrails. Furthermore, we demonstrate that the vulnerability allows existing optimization-based jailbreak attacks to succeed on DLMs. Building on this analysis, we propose a novel safety alignment method tailored to DLMs that trains models to generate safe responses from contaminated intermediate states that contain affirmative tokens. Our experiments indicate that the proposed method significantly mitigates the vulnerability with minimal impact on task performance. Furthermore, our method improves robustness against conventional jailbreak attacks. Our work underscores the need for DLM-specific safety research.
Authors: Ke Xu, Yuefeng Han
Abstract: Recovering a low-CP-rank tensor from noisy linear measurements is a central challenge in high-dimensional data analysis, with applications spanning tensor PCA, tensor regression, and beyond. We exploit the intrinsic geometry of rank-one tensors by casting the recovery task as an optimization problem over the Segre manifold, the smooth Riemannian manifold of rank-one tensors. This geometric viewpoint yields two powerful algorithms: Riemannian Gradient Descent (RGD) and Riemannian Gauss-Newton (RGN), each of which preserves feasibility at every iteration. Under mild noise assumptions, we prove that RGD converges at a local linear rate, while RGN exhibits an initial local quadratic convergence phase that transitions to a linear rate as the iterates approach the statistical noise floor. Extensive synthetic experiments validate these convergence guarantees and demonstrate the practical effectiveness of our methods.
Authors: Minghao Yang, Ren Togo, Guang Li, Takahiro Ogawa, Miki Haseyama
Abstract: Mixture-of-Experts (MoE) has emerged as a powerful framework for multi-task learning (MTL). However, existing MoE-MTL methods often rely on single-task pretrained backbones and suffer from redundant adaptation and inefficient knowledge sharing during the transition from single-task to multi-task learning (STL to MTL). To address these limitations, we propose adaptive shared experts (ASE) within a low-rank adaptation (LoRA) based MoE, where shared experts are assigned router-computed gating weights jointly normalized with sparse experts. This design facilitates STL to MTL transition, enhances expert specialization, and cooperation. Furthermore, we incorporate fine-grained experts by increasing the number of LoRA experts while proportionally reducing their rank, enabling more effective knowledge sharing under a comparable parameter budget. Extensive experiments on the PASCAL-Context benchmark, under unified training settings, demonstrate that ASE consistently improves performance across diverse configurations and validates the effectiveness of fine-grained designs for MTL.
Authors: Ahsan Farabi, Muhaiminul Rashid Shad, Israt Khandaker
Abstract: Intrusion Detection Systems (IDS) face persistent challenges due to evolving cyberattacks, high-dimensional traffic data, and severe class imbalance in benchmark datasets such as NSL-KDD. To address these issues, we propose IntrusionX, a hybrid deep learning framework that integrates Convolutional Neural Networks (CNNs) for local feature extraction and Long Short-Term Memory (LSTM) networks for temporal modeling. The architecture is further optimized using the Squirrel Search Algorithm (SSA), enabling effective hyperparameter tuning while maintaining computational efficiency. Our pipeline incorporates rigorous preprocessing, stratified data splitting, and dynamic class weighting to enhance the detection of rare classes. Experimental evaluation on NSL-KDD demonstrates that IntrusionX achieves 98% accuracy in binary classification and 87% in 5-class classification, with significant improvements in minority class recall (U2R: 71%, R2L: 93%). The novelty of IntrusionX lies in its reproducible, imbalance-aware design with metaheuristic optimization.
Authors: Pietro Mazzaglia, Cansu Sancaktar, Markus Peschl, Daniel Dijkman
Abstract: Using Large Language Models to produce intermediate thoughts, a.k.a. Chain-of-thought (CoT), before providing an answer has been a successful recipe for solving complex language tasks. In robotics, similar embodied CoT strategies, generating thoughts before actions, have also been shown to lead to improved performance when using Vision-Language-Action models (VLAs). As these techniques increase the length of the model's generated outputs to include the thoughts, the inference time is negatively affected. Delaying an agent's actions in real-world executions, as in robotic manipulation settings, strongly affects the usability of a method, as tasks require long sequences of actions. However, is the generation of long chains-of-thought a strong prerequisite for achieving performance improvements? In this work, we explore the idea of Hybrid Training (HyT), a framework that enables VLAs to learn from thoughts and benefit from the associated performance gains, while enabling the possibility to leave out CoT generation during inference. Furthermore, by learning to conditionally predict a diverse set of outputs, HyT supports flexibility at inference time, enabling the model to either predict actions directly, generate thoughts or follow instructions. We evaluate the proposed method in a series of simulated benchmarks and real-world experiments.
Authors: Yannick Hauri, Luca A. Lanzend\"orfer, Till Aczel
Abstract: Fashion image generation has so far focused on narrow tasks such as virtual try-on, where garments appear in clean studio environments. In contrast, editorial fashion presents garments through dynamic poses, diverse locations, and carefully crafted visual narratives. We introduce the task of virtual fashion photo-shoot, which seeks to capture this richness by transforming standardized garment images into contextually grounded editorial imagery. To enable this new direction, we construct the first large-scale dataset of garment-lookbook pairs, bridging the gap between e-commerce and fashion media. Because such pairs are not readily available, we design an automated retrieval pipeline that aligns garments across domains, combining visual-language reasoning with object-level localization. We construct a dataset with three garment-lookbook pair accuracy levels: high quality (10,000 pairs), medium quality (50,000 pairs), and low quality (300,000 pairs). This dataset offers a foundation for models that move beyond catalog-style generation and toward fashion imagery that reflects creativity, atmosphere, and storytelling.
Authors: Beomsu Kim, Byunghee Cha, Jong Chul Ye
Abstract: With diffusion and flow matching models achieving state-of-the-art generating performance, the interest of the community now turned to reducing the inference time without sacrificing sample quality. Consistency Models (CMs), which are trained to be consistent on diffusion or probability flow ordinary differential equation (PF-ODE) trajectories, enable one or two-step flow or diffusion sampling. However, CMs typically require prolonged training with large batch sizes to obtain competitive sample quality. In this paper, we examine the training dynamics of CMs near convergence and discover that CM tangents -- CM output update directions -- are quite oscillatory, in the sense that they move parallel to the data manifold, not towards the manifold. To mitigate oscillatory tangents, we propose a new loss function, called the manifold feature distance (MFD), which provides manifold-aligned tangents that point toward the data manifold. Consequently, our method -- dubbed Align Your Tangent (AYT) -- can accelerate CM training by orders of magnitude and even out-perform the learned perceptual image patch similarity metric (LPIPS). Furthermore, we find that our loss enables training with extremely small batch sizes without compromising sample quality. Code: https://github.com/1202kbs/AYT
Authors: Francesco Galati, Daniele Falcetta, Rosa Cortese, Ferran Prados, Ninon Burgos, Maria A. Zuluaga
Abstract: The intricate morphology of brain vessels poses significant challenges for automatic segmentation models, which usually focus on a single imaging modality. However, accurately treating brain-related conditions requires a comprehensive understanding of the cerebrovascular tree, regardless of the specific acquisition procedure. Our framework effectively segments brain arteries and veins in various datasets through image-to-image translation while avoiding domain-specific model design and data harmonization between the source and the target domain. This is accomplished by employing disentanglement techniques to independently manipulate different image properties, allowing them to move from one domain to another in a label-preserving manner. Specifically, we focus on manipulating vessel appearances during adaptation while preserving spatial information, such as shapes and locations, which are crucial for correct segmentation. Our evaluation effectively bridges large and varied domain gaps across medical centers, image modalities, and vessel types. Additionally, we conduct ablation studies on the optimal number of required annotations and other architectural choices. The results highlight our framework's robustness and versatility, demonstrating the potential of domain adaptation methodologies to perform cerebrovascular image segmentation in multiple scenarios accurately. Our code is available at https://github.com/i-vesseg/MultiVesSeg.
Authors: Leah Bar, Liron Mor Yosef, Shai Zucker, Neta Shoham, Inbar Seroussi, Nir Sochen
Abstract: The foundational premise of generative AI for images is the assumption that images are inherently low-dimensional objects embedded within a high-dimensional space. Additionally, it is often implicitly assumed that thematic image datasets form smooth or piecewise smooth manifolds. Common approaches overlook the geometric structure and focus solely on probabilistic methods, approximating the probability distribution through universal approximation techniques such as the kernel method. In some generative models, the low dimensional nature of the data manifest itself by the introduction of a lower dimensional latent space. Yet, the probability distribution in the latent or the manifold coordinate space is considered uninteresting and is predefined or considered uniform. This study unifies the geometric and probabilistic perspectives by providing a geometric framework and a kernel-based probabilistic method simultaneously. The resulting framework demystifies diffusion models by interpreting them as a projection mechanism onto the manifold of ``good images''. This interpretation leads to the construction of a new deterministic model, the Manifold-Probabilistic Projection Model (MPPM), which operates in both the representation (pixel) space and the latent space. We demonstrate that the Latent MPPM (LMPPM) outperforms the Latent Diffusion Model (LDM) across various datasets, achieving superior results in terms of image restoration and generation.
Authors: Nurbek Tastan, Samuel Horvath, Karthik Nandakumar
Abstract: Multi-agent systems (MAS) based on Large Language Models (LLMs) have the potential to solve tasks that are beyond the reach of any single LLM. However, this potential can only be realized when the collaboration mechanism between agents is optimized. Specifically, optimizing the communication structure between agents is critical for fruitful collaboration. Most existing approaches rely on fixed topologies, pretrained graph generators, optimization over edges, or employ external LLM judges, thereby adding to the complexity. In this work, we introduce a response-conditioned framework that adapts communication on-the-fly. Agents independently generate responses to the user query and assess peer contributions using an approximation of the Shapley value. A directed acyclic graph (DAG) is then constructed to regulate the propagation of the responses among agents, which ensures stable and efficient message transmission from high-contributing agents to others. This graph is dynamically updated based on the agent responses from the previous collaboration round. Since the proposed framework enables the self-organization of agents without additional supervision or training, we refer to it as SelfOrg. The SelfOrg framework goes beyond task- and query-level optimization and takes into account the stochastic nature of agent responses. Experiments with both strong and weak LLM backends demonstrate robust performance, with significant gains in the weak regime where prior methods collapse. We also theoretically show that multiple agents increase the chance of correctness and that the correct responses naturally dominate the information flow.
Authors: Yusif Ibrahimov, Tarique Anwar, Tommy Yuan, Turan Mutallimov, Elgun Hasanov
Abstract: In today's interconnected society, social media platforms provide a window into individuals' thoughts, emotions, and mental states. This paper explores the use of platforms like Facebook, X (formerly Twitter), and Reddit for depression severity detection. We propose AttentionDep, a domain-aware attention model that drives explainable depression severity estimation by fusing contextual and domain knowledge. Posts are encoded hierarchically using unigrams and bigrams, with attention mechanisms highlighting clinically relevant tokens. Domain knowledge from a curated mental health knowledge graph is incorporated through a cross-attention mechanism, enriching the contextual features. Finally, depression severity is predicted using an ordinal regression framework that respects the clinical-relevance and natural ordering of severity levels. Our experiments demonstrate that AttentionDep outperforms state-of-the-art baselines by over 5% in graded F1 score across datasets, while providing interpretable insights into its predictions. This work advances the development of trustworthy and transparent AI systems for mental health assessment from social media.
Authors: Giovanni Minelli, Giulio Turrisi, Victor Barasuol, Claudio Semini
Abstract: Learning robotic manipulation policies through supervised learning from demonstrations remains challenging when policies encounter execution variations not explicitly covered during training. While incorporating historical context through attention mechanisms can improve robustness, standard approaches process all past states in a sequence without explicitly modeling the temporal structure that demonstrations may include, such as failure and recovery patterns. We propose a Cross-State Transition Attention Transformer that employs a novel State Transition Attention (STA) mechanism to modulate standard attention weights based on learned state evolution patterns, enabling policies to better adapt their behavior based on execution history. Our approach combines this structured attention with temporal masking during training, where visual information is randomly removed from recent timesteps to encourage temporal reasoning from historical context. Evaluation in simulation shows that STA consistently outperforms standard cross-attention and temporal modeling approaches like TCN and LSTM networks across all tasks, achieving more than 2x improvement over cross-attention on precision-critical tasks.
Authors: Hongeun Kim, Bryan Sangwoo Kim, Jong Chul Ye
Abstract: Blind Image Restoration (BIR) methods have achieved remarkable success but falter when faced with Extreme Blind Image Restoration (EBIR), where inputs suffer from severe, compounded degradations beyond their training scope. Directly learning a mapping from extremely low-quality (ELQ) to high-quality (HQ) images is challenging due to the massive domain gap, often leading to unnatural artifacts and loss of detail. To address this, we propose a novel framework that decomposes the intractable ELQ-to-HQ restoration process. We first learn a projector that maps an ELQ image onto an intermediate, less-degraded LQ manifold. This intermediate image is then restored to HQ using a frozen, off-the-shelf BIR model. Our approach is grounded in information theory; we provide a novel perspective of image restoration as an Information Bottleneck problem and derive a theoretically-driven objective to train our projector. This loss function effectively stabilizes training by balancing a low-quality reconstruction term with a high-quality prior-matching term. Our framework enables Look Forward Once (LFO) for inference-time prompt refinement, and supports plug-and-play strengthening of existing image restoration models without need for finetuning. Extensive experiments under severe degradation regimes provide a thorough analysis of the effectiveness of our work.
Authors: Chuntao Chen, Tapio Helin, Nuutti Hyv\"onen, Yuya Suzuki
Abstract: Bayesian optimal experimental design provides a principled framework for selecting experimental settings that maximize obtained information. In this work, we focus on estimating the expected information gain in the setting where the differential entropy of the likelihood is either independent of the design or can be evaluated explicitly. This reduces the problem to maximum entropy estimation, alleviating several challenges inherent in expected information gain computation. Our study is motivated by large-scale inference problems, such as inverse problems, where the computational cost is dominated by expensive likelihood evaluations. We propose a computational approach in which the evidence density is approximated by a Monte Carlo or quasi-Monte Carlo surrogate, while the differential entropy is evaluated using standard methods without additional likelihood evaluations. We prove that this strategy achieves convergence rates that are comparable to, or better than, state-of-the-art methods for full expected information gain estimation, particularly when the cost of entropy evaluation is negligible. Moreover, our approach relies only on mild smoothness of the forward map and avoids stronger technical assumptions required in earlier work. We also present numerical experiments, which confirm our theoretical findings.
Authors: Victor Brabant, Angela Bonifati, R\'emy Cazabet
Abstract: Community detection is a fundamental problem in network analysis, with many applications in various fields. Extending community detection to the temporal setting with exact temporal accuracy, as required by real-world dynamic data, necessitates methods specifically adapted to the temporal nature of interactions. We introduce LAGO, a novel method for uncovering dynamic communities by greedy optimization of Longitudinal Modularity, a specific adaptation of Modularity for continuous-time networks. Unlike prior approaches that rely on time discretization or assume rigid community evolution, LAGO captures the precise moments when nodes enter and exit communities. We evaluate LAGO on synthetic benchmarks and real-world datasets, demonstrating its ability to efficiently uncover temporally and topologically coherent communities.
Authors: Eoin Quinn, Marco Carobene, Jean Quentin, Sebastien Boyer, Miguel Arbes\'u, Oliver Bent
Abstract: While deep learning has revolutionized the prediction of rigid protein structures, modelling the conformational ensembles of Intrinsically Disordered Proteins (IDPs) remains a key frontier. Current AI paradigms present a trade-off: Protein Language Models (PLMs) capture evolutionary statistics but lack explicit physical grounding, while generative models trained to model full ensembles are computationally expensive. In this work we critically assess these limits and propose a path forward. We introduce GeoGraph, a simulation-informed surrogate trained to predict ensemble-averaged statistics of residue-residue contact-map topology directly from sequence. By featurizing coarse-grained molecular dynamics simulations into residue- and sequence-level graph descriptors, we create a robust and information-rich learning target. Our evaluation demonstrates that this approach yields representations that are more predictive of key biophysical properties than existing methods.
Authors: Kaja Gruntkowska, Peter Richt\'arik
Abstract: The recently proposed Broximal Point Method (BPM) [Gruntkowska et al., 2025] offers an idealized optimization framework based on iteratively minimizing the objective function over norm balls centered at the current iterate. It enjoys striking global convergence guarantees, converging linearly and in a finite number of steps for proper, closed and convex functions. However, its theoretical analysis has so far been confined to the Euclidean geometry. At the same time, emerging trends in deep learning optimization, exemplified by algorithms such as Muon [Jordan et al., 2024] and Scion [Pethick et al., 2025], demonstrate the practical advantages of minimizing over balls defined via non-Euclidean norms which better align with the underlying geometry of the associated loss landscapes. In this note, we ask whether the convergence theory of BPM can be extended to this more general, non-Euclidean setting. We give a positive answer, showing that most of the elegant guarantees of the original method carry over to arbitrary norm geometries. Along the way, we clarify which properties are preserved and which necessarily break down when leaving the Euclidean realm. Our analysis positions Non-Euclidean BPM as a conceptual blueprint for understanding a broad class of geometry-aware optimization algorithms, shedding light on the principles behind their practical effectiveness.
Authors: Julian Oelhaf, Georg Kordowich, Changhun Kim, Paula Andrea P\'erez-Toro, Christian Bergler, Andreas Maier, Johann J\"ager, Siming Bayer
Abstract: The increasing integration of distributed energy resources (DERs), particularly renewables, poses significant challenges for power system protection, with fault classification (FC) and fault localization (FL) being among the most critical tasks. Conventional protection schemes, based on fixed thresholds, cannot reliably identify and localize short circuits with the increasing complexity of the grid under dynamic conditions. Machine learning (ML) offers a promising alternative; however, systematic benchmarks across models and settings remain limited. This work presents, for the first time, a comparative benchmarking study of classical ML models for FC and FL in power system protection based on EMT data. Using voltage and current waveforms segmented into sliding windows of 10 ms to 50 ms, we evaluate models under realistic real-time constraints. Performance is assessed in terms of accuracy, robustness to window size, and runtime efficiency. The best-performing FC model achieved an F1 score of 0.992$\pm$0.001, while the top FL model reached an R2 of 0.806$\pm$0.008 with a mean processing time of 0.563 ms.
Authors: Kevin Zhang, Kuangzhi Ge, Xiaowei Chi, Renrui Zhang, Shaojun Shi, Zhen Dong, Sirui Han, Shanghang Zhang
Abstract: Trained on internet-scale video data, generative world models are increasingly recognized as powerful world simulators that can generate consistent and plausible dynamics over structure, motion, and physics. This raises a natural question: with the advent of strong video foundational models, might they supplant conventional vision encoder paradigms for general-purpose multimodal understanding? While recent studies have begun to explore the potential of world models on common vision tasks, these explorations typically lack a systematic investigation of generic, multimodal tasks. In this work, we strive to investigate the capabilities when world model priors are transferred into Vision-Language Models: we re-purpose a video diffusion model as a generative encoder to perform a single denoising step and treat the resulting latents as a set of visual embedding. We empirically investigate this class of models, which we refer to as World-Language Models (WorldLMs), and we find that generative encoders can capture latents useful for downstream understanding that show distinctions from conventional encoders. Naming our best-performing variant Dynamic Vision Aligner (DyVA), we further discover that this method significantly enhances spatial reasoning abilities and enables single-image models to perform multi-frame reasoning. Through the curation of a suite of visual reasoning tasks, we find DyVA to surpass both open-source and proprietary baselines, achieving state-of-the-art or comparable performance. We attribute these gains to WorldLM's inherited motion-consistency internalization from video pre-training. Finally, we systematically explore extensive model designs to highlight promising directions for future work. We hope our study can pave the way for a new family of VLMs that leverage priors from world models and are on a promising path towards generalist vision learners.
Authors: Roshan Kenia, Anfei Li, Rishabh Srivastava, Kaveri A. Thakoor
Abstract: Glaucoma is a progressive eye disease that leads to optic nerve damage, causing irreversible vision loss if left untreated. Optical coherence tomography (OCT) has become a crucial tool for glaucoma diagnosis, offering high-resolution 3D scans of the retina and optic nerve. However, the conventional practice of condensing information from 3D OCT volumes into 2D reports often results in the loss of key structural details. To address this, we propose a novel hybrid deep learning model that integrates cross-attention mechanisms into a 3D convolutional neural network (CNN), enabling the extraction of critical features from the superior and inferior hemiretinas, as well as from the optic nerve head (ONH) and macula, within OCT volumes. We introduce Channel Attention REpresentations (CAREs) to visualize cross-attention outputs and leverage them for consistency-based multi-task fine-tuning, aligning them with Gradient-Weighted Class Activation Maps (Grad-CAMs) from the CNN's final convolutional layer to enhance performance, interpretability, and anatomical coherence. We have named this model AI-CNet3D (AI-`See'-Net3D) to reflect its design as an Anatomically-Informed Cross-attention Network operating on 3D data. By dividing the volume along two axes and applying cross-attention, our model enhances glaucoma classification by capturing asymmetries between the hemiretinal regions while integrating information from the optic nerve head and macula. We validate our approach on two large datasets, showing that it outperforms state-of-the-art attention and convolutional models across all key metrics. Finally, our model is computationally efficient, reducing the parameter count by one-hundred--fold compared to other attention mechanisms while maintaining high diagnostic performance and comparable GFLOPS.
Authors: Benjamin Alheit, Mathias Peirlinck, Siddhant Kumar
Abstract: Constitutive evaluations often dominate the computational cost of finite element (FE) simulations whenever material models are complex. Neural constitutive models (NCMs) offer a highly expressive and flexible framework for modeling complex material behavior in solid mechanics. However, their practical adoption in large-scale FE simulations remains limited due to significant computational costs, especially in repeatedly evaluating stress and stiffness. NCMs thus represent an extreme case: their large computational graphs make stress and stiffness evaluations prohibitively expensive, restricting their use to small-scale problems. In this work, we introduce COMMET, an open-source FE framework whose architecture has been redesigned from the ground up to accelerate high-cost constitutive updates. Our framework features a novel assembly algorithm that supports batched and vectorized constitutive evaluations, compute-graph-optimized derivatives that replace automatic differentiation, and distributed-memory parallelism via MPI. These advances dramatically reduce runtime, with speed-ups exceeding three orders of magnitude relative to traditional non-vectorized automatic differentiation-based implementations. While we demonstrate these gains primarily for NCMs, the same principles apply broadly wherever for-loop based assembly or constitutive updates limit performance, establishing a new standard for large-scale, high-fidelity simulations in computational mechanics.
Authors: Julian Lemmel, Manuel Kranzl, Adam Lamine, Philipp Neubauer, Radu Grosu, Sophie A. Neubauer
Abstract: Interactive Imitation Learning deals with training a novice policy from expert demonstrations in an online fashion. The established DAgger algorithm trains a robust novice policy by alternating between interacting with the environment and retraining of the network. Many variants thereof exist, that differ in the method of discerning whether to allow the novice to act or return control to the expert. We propose the use of stochastic reachtubes - common in verification of dynamical systems - as a novel method for estimating the necessity of expert intervention. Our approach does not require fine-tuning of decision thresholds per environment and effectively reduces the number of expert interventions, especially when compared with related approaches that make use of a doubt classification model.
Authors: Christian Oliva, Silviu Gabriel Tinjala
Abstract: This work introduces a new framework for modeling financial markets through an interpretable probabilistic state machine. By clustering historical returns based on momentum and risk features across multiple time horizons, we identify distinct market states that capture underlying regimes, such as expansion phase, contraction, crisis, or recovery. From a transition matrix representing the dynamics between these states, we construct a probabilistic state machine that models the temporal evolution of the market. This state machine enables the generation of a custom distribution of returns based on a mixture of Gaussian components weighted by state frequencies. We show that the proposed benchmark significantly outperforms the traditional approach in capturing key statistical properties of asset returns, including skewness and kurtosis, and our experiments across random assets and time periods confirm its robustness.
Authors: Carlos G\"uemes-Palau, Miquel Ferriol-Galm\'es, Jordi Paillisse-Vilanova, Albert L\'opez-Bresc\'o, Pere Barlet-Ros, Albert Cabellos-Aparicio
Abstract: Machine Learning (ML)-based network models provide fast and accurate predictions for complex network behaviors but require substantial training data. Collecting such data from real networks is often costly and limited, especially for critical scenarios like failures. As a result, researchers commonly rely on simulated data, which reduces accuracy when models are deployed in real environments. We propose a hybrid approach leveraging transfer learning to combine simulated and real-world data. Using RouteNet-Fermi, we show that fine-tuning a pre-trained model with a small real dataset significantly improves performance. Our experiments with OMNeT++ and a custom testbed reduce the Mean Absolute Percentage Error (MAPE) in packet delay prediction by up to 88%. With just 10 real scenarios, MAPE drops by 37%, and with 50 scenarios, by 48%.
Authors: Aueaphum Aueawatthanaphisut
Abstract: Rare-disease diagnosis remains one of the most pressing challenges in digital health, hindered by extreme data scarcity, privacy concerns, and the limited resources of edge devices. This paper proposes the Adaptive Federated Few-Shot Rare-Disease Diagnosis (AFFR) framework, which integrates three pillars: (i) few-shot federated optimization with meta-learning to generalize from limited patient samples, (ii) energy-aware client scheduling to mitigate device dropouts and ensure balanced participation, and (iii) secure aggregation with calibrated differential privacy to safeguard sensitive model updates. Unlike prior work that addresses these aspects in isolation, AFFR unifies them into a modular pipeline deployable on real-world clinical networks. Experimental evaluation on simulated rare-disease detection datasets demonstrates up to 10% improvement in accuracy compared with baseline FL, while reducing client dropouts by over 50% without degrading convergence. Furthermore, privacy-utility trade-offs remain within clinically acceptable bounds. These findings highlight AFFR as a practical pathway for equitable and trustworthy federated diagnosis of rare conditions.
Authors: Qiming Zhao, Xingjian Li, Xiaoyu Cao, Xiaolong Wu, Min Xu
Abstract: Deep neural networks (DNNs) have achieved remarkable success across domains but remain difficult to interpret, limiting their trustworthiness in high-stakes applications. This paper focuses on deep vision models, for which a dominant line of explainability methods are Class Activation Mapping (CAM) and its variants working by highlighting spatial regions that drive predictions. We figure out that CAM provides little semantic insight into what attributes underlie these activations. To address this limitation, we propose TextCAM, a novel explanation framework that enriches CAM with natural languages. TextCAM combines the precise spatial localization of CAM with the semantic alignment of vision-language models (VLMs). Specifically, we derive channel-level semantic representations using CLIP embeddings and linear discriminant analysis, and aggregate them with CAM weights to produce textual descriptions of salient visual evidence. This yields explanations that jointly specify where the model attends and what visual attributes likely support its decision. We further extend TextCAM to generate feature channels into semantically coherent groups, enabling more fine-grained visual-textual explanations. Experiments on ImageNet, CLEVR, and CUB demonstrate that TextCAM produces faithful and interpretable rationales that improve human understanding, detect spurious correlations, and preserve model fidelity.
Authors: Saravanan Venkatachalam
Abstract: This paper presents a practical architecture for after-sales demand forecasting and monitoring that unifies a revenue- and cluster-aware ensemble of statistical, machine-learning, and deep-learning models with a role-driven analytics layer for scorecards and trend diagnostics. The framework ingests exogenous signals (installed base, pricing, macro indicators, life cycle, seasonality) and treats COVID-19 as a distinct regime, producing country-part forecasts with calibrated intervals. A Pareto-aware segmentation forecasts high-revenue items individually and pools the long tail via clusters, while horizon-aware ensembling aligns weights with business-relevant losses (e.g., WMAPE). Beyond forecasts, a performance scorecard delivers decision-focused insights: accuracy within tolerance thresholds by revenue share and count, bias decomposition (over- vs under-forecast), geographic and product-family hotspots, and ranked root causes tied to high-impact part-country pairs. A trend module tracks trajectories of MAPE/WMAPE and bias across recent months, flags entities that are improving or deteriorating, detects change points aligned with known regimes, and attributes movements to lifecycle and seasonal factors. LLMs are embedded in the analytics layer to generate role-aware narratives and enforce reporting contracts. They standardize business definitions, automate quality checks and reconciliations, and translate quantitative results into concise, explainable summaries for planners and executives. The system exposes a reproducible workflow -- request specification, model execution, database-backed artifacts, and AI-generated narratives -- so planners can move from "How accurate are we now?" to "Where is accuracy heading and which levers should we pull?", closing the loop between forecasting, monitoring, and inventory decisions across more than 90 countries and about 6,000 parts.
Authors: Pol Labarbarie, Vincent Itier, William Puech
Abstract: Face images processed by computer vision algorithms contain sensitive personal information that malicious actors can capture without consent. These privacy and security risks highlight the need for effective face anonymization methods. Current methods struggle to propose a good trade-off between a secure scheme with high-quality image generation and reversibility for later person authentication. Diffusion-based approaches produce high-quality anonymized images but lack the secret key mechanism to ensure that only authorized parties can reverse the process. In this paper, we introduce, to our knowledge, the first secure, high-quality reversible anonymization method based on a diffusion model. We propose to combine the secret key with the latent faces representation of the diffusion model. To preserve identity-irrelevant features, generation is constrained by a facial mask, maintaining high-quality images. By using a deterministic forward and backward diffusion process, our approach enforces that the original face can be recovered with the correct secret key. We also show that the proposed method produces anonymized faces that are less visually similar to the original faces, compared to other previous work.
Authors: Akchunya Chanchal, David A. Kelly, Hana Chockler
Abstract: Black-box explainability methods are popular tools for explaining the decisions of image classifiers. A major drawback of these tools is their reliance on mutants obtained by occluding parts of the input, leading to out-of-distribution images. This raises doubts about the quality of the explanations. Moreover, choosing an appropriate occlusion value often requires domain knowledge. In this paper we introduce a novel forward-pass paradigm Activation-Deactivation (AD), which removes the effects of occluded input features from the model's decision-making by switching off the parts of the model that correspond to the occlusions. We introduce ConvAD, a drop-in mechanism that can be easily added to any trained Convolutional Neural Network (CNN), and which implements the AD paradigm. This leads to more robust explanations without any additional training or fine-tuning. We prove that the ConvAD mechanism does not change the decision-making process of the network. We provide experimental evaluation across several datasets and model architectures. We compare the quality of AD-explanations with explanations achieved using a set of masking values, using the proxies of robustness, size, and confidence drop-off. We observe a consistent improvement in robustness of AD explanations (up to 62.5%) compared to explanations obtained with occlusions, demonstrating that ConvAD extracts more robust explanations without the need for domain knowledge.
Authors: Xiao Li, Jiaqi Zhang, Shuxiang Zhang, Tianshui Chen, Liang Lin, Guangrun Wang
Abstract: We propose an Authentic Discrete Diffusion (ADD) framework that fundamentally redefines prior pseudo-discrete approaches by preserving core diffusion characteristics directly in the one-hot space through a suite of coordinated mechanisms. Unlike conventional "pseudo" discrete diffusion (PDD) methods, ADD reformulates the diffusion input by directly using float-encoded one-hot class data, without relying on diffusing in the continuous latent spaces or masking policies. At its core, a timestep-conditioned cross-entropy loss is introduced between the diffusion model's outputs and the original one-hot labels. This synergistic design establishes a bridge between discriminative and generative learning. Our experiments demonstrate that ADD not only achieves superior performance on classification tasks compared to the baseline, but also exhibits excellent text generation capabilities on Image captioning. Extensive ablations validate the measurable gains of each component.
Authors: Nils Feldhus, Laura Kopf
Abstract: Understanding the decision-making processes of neural networks is a central goal of mechanistic interpretability. In the context of Large Language Models (LLMs), this involves uncovering the underlying mechanisms and identifying the roles of individual model components such as neurons and attention heads, as well as model abstractions such as the learned sparse features extracted by Sparse Autoencoders (SAEs). A rapidly growing line of work tackles this challenge by using powerful generator models to produce open-vocabulary, natural language concept descriptions for these components. In this paper, we provide the first survey of the emerging field of concept descriptions for model components and abstractions. We chart the key methods for generating these descriptions, the evolving landscape of automated and human metrics for evaluating them, and the datasets that underpin this research. Our synthesis reveals a growing demand for more rigorous, causal evaluation. By outlining the state of the art and identifying key challenges, this survey provides a roadmap for future research toward making models more transparent.
Authors: Mark Boss, Andreas Engelhardt, Simon Donn\'e, Varun Jampani
Abstract: Distribution matching is central to many vision and graphics tasks, where the widely used Wasserstein distance is too costly to compute for high dimensional distributions. The Sliced Wasserstein Distance (SWD) offers a scalable alternative, yet its Monte Carlo estimator suffers from high variance, resulting in noisy gradients and slow convergence. We introduce Reservoir SWD (ReSWD), which integrates Weighted Reservoir Sampling into SWD to adaptively retain informative projection directions in optimization steps, resulting in stable gradients while remaining unbiased. Experiments on synthetic benchmarks and real-world tasks such as color correction and diffusion guidance show that ReSWD consistently outperforms standard SWD and other variance reduction baselines. Project page: https://reservoirswd.github.io/
Authors: Jiahang Cao, Yize Huang, Hanzhong Guo, Rui Zhang, Mu Nan, Weijian Mai, Jiaxu Wang, Hao Cheng, Jingkai Sun, Gang Han, Wen Zhao, Qiang Zhang, Yijie Guo, Qihao Zheng, Chunfeng Song, Xiao Li, Ping Luo, Andrew F. Luo
Abstract: Diffusion-based models for robotic control, including vision-language-action (VLA) and vision-action (VA) policies, have demonstrated significant capabilities. Yet their advancement is constrained by the high cost of acquiring large-scale interaction datasets. This work introduces an alternative paradigm for enhancing policy performance without additional model training. Perhaps surprisingly, we demonstrate that the composed policies can exceed the performance of either parent policy. Our contribution is threefold. First, we establish a theoretical foundation showing that the convex composition of distributional scores from multiple diffusion models can yield a superior one-step functional objective compared to any individual score. A Gr\"onwall-type bound is then used to show that this single-step improvement propagates through entire generation trajectories, leading to systemic performance gains. Second, motivated by these results, we propose General Policy Composition (GPC), a training-free method that enhances performance by combining the distributional scores of multiple pre-trained policies via a convex combination and test-time search. GPC is versatile, allowing for the plug-and-play composition of heterogeneous policies, including VA and VLA models, as well as those based on diffusion or flow-matching, irrespective of their input visual modalities. Third, we provide extensive empirical validation. Experiments on Robomimic, PushT, and RoboTwin benchmarks, alongside real-world robotic evaluations, confirm that GPC consistently improves performance and adaptability across a diverse set of tasks. Further analysis of alternative composition operators and weighting strategies offers insights into the mechanisms underlying the success of GPC. These results establish GPC as a simple yet effective method for improving control performance by leveraging existing policies.
Authors: Wenxiu Feng, Antonio Alc\'antara, Carlos Ruiz
Abstract: Wind farm placement arranges the size and the location of multiple wind farms within a given region. The power output is highly related to the wind speed on spatial and temporal levels, which can be modeled by advanced data-driven approaches. To this end, we use a probabilistic neural network as a surrogate that accounts for the spatiotemporal correlations of wind speed. This neural network uses ReLU activation functions so that it can be reformulated as mixed-integer linear set of constraints (constraint learning). We embed these constraints into the placement decision problem, formulated as a two-stage stochastic optimization problem. Specifically, conditional quantiles of the total electricity production are regarded as recursive decisions in the second stage. We use real high-resolution regional data from a northern region in Spain. We validate that the constraint learning approach outperforms the classical bilinear interpolation method. Numerical experiments are implemented on risk-averse investors. The results indicate that risk-averse investors concentrate on dominant sites with strong wind, while exhibiting spatial diversification and sensitive capacity spread in non-dominant sites. Furthermore, we show that if we introduce transmission line costs in the problem, risk-averse investors favor locations closer to the substations. On the contrary, risk-neutral investors are willing to move to further locations to achieve higher expected profits. Our results conclude that the proposed novel approach is able to tackle a portfolio of regional wind farm placements and further provide guidance for risk-averse investors.
Authors: Blake Bordelon, Mary I. Letey, Cengiz Pehlevan
Abstract: We study in-context learning (ICL) of linear regression in a deep linear self-attention model, characterizing how performance depends on various computational and statistical resources (width, depth, number of training steps, batch size and data per context). In a joint limit where data dimension, context length, and residual stream width scale proportionally, we analyze the limiting asymptotics for three ICL settings: (1) isotropic covariates and tasks (ISO), (2) fixed and structured covariance (FS), and (3) where covariances are randomly rotated and structured (RRS). For ISO and FS settings, we find that depth only aids ICL performance if context length is limited. Alternatively, in the RRS setting where covariances change across contexts, increasing the depth leads to significant improvements in ICL, even at infinite context length. This provides a new solvable toy model of neural scaling laws which depends on both width and depth of a transformer and predicts an optimal transformer shape as a function of compute. This toy model enables computation of exact asymptotics for the risk as well as derivation of powerlaws under source/capacity conditions for the ICL tasks.
Authors: Harry Desmond, Joseph Ramsey
Abstract: Data-driven astrophysics currently relies on the detection and characterisation of correlations between objects' properties, which are then used to test physical theories that make predictions for them. This process fails to utilise information in the data that forms a crucial part of the theories' predictions, namely which variables are directly correlated (as opposed to accidentally correlated through others), the directions of these determinations, and the presence or absence of confounders that correlate variables in the dataset but are themselves absent from it. We propose to recover this information through causal discovery, a well-developed methodology for inferring the causal structure of datasets that is however almost entirely unknown to astrophysics. We develop a causal discovery algorithm suitable for astrophysical datasets and illustrate it on $\sim$5$\times10^5$ low-redshift galaxies from the Nasa Sloan Atlas, demonstrating its ability to distinguish physical mechanisms that are degenerate on the basis of correlations alone.
Authors: Harry Dong, David Brandfonbrener, Eryk Helenowski, Yun He, Mrinal Kumar, Han Fang, Yuejie Chi, Karthik Abinav Sankararaman
Abstract: Parallel LLM inference scaling involves sampling a set of $N>1$ responses for a single input prompt. However, these $N$ parallel responses tend to be generated independently from each other, partitioning compute resources and leaving potentially useful information in one generation untapped by others. This is in contrast to response length scaling where past computation is used in all future steps. For higher quality responses and response sets, we propose Bridge to generate interdependent responses in parallel by rethinking batched LLM hidden states as holistic tensors rather than independent slices. With only a small amount (2.8%-5.1%) of new parameters, Bridge improves the relative mean accuracy gains from reinforcement learning with verifiable rewards by up to 50% and boosts consistency of correct responses. Trained once, Bridge scales to any generation width, all with greater performance than independent generations, unlocking a more general mode of parallel scaling that effectively leverages information between sequences, compatible with any post-generation aggregation technique.
Authors: David Anugraha, Shou-Yi Hung, Zilu Tang, Annie En-Shiun Lee, Derry Tanti Wijaya, Genta Indra Winata
Abstract: Evaluation using Large Language Model (LLM) judges has been widely adopted in English and shown to be effective for automatic evaluation. However, their performance does not generalize well to non-English settings, and it remains unclear what constitutes effective multilingual training for such judges. In this paper, we introduce mR3, a massively multilingual, rubric-agnostic reward reasoning model trained on 72 languages, achieving the broadest language coverage in reward modeling to date. We present a comprehensive study of data and curriculum selection for training to identify effective strategies and data sources for building high-quality reward models, including the integration of target-language reasoning datasets. Our approach attains state-of-the-art performance on multilingual reward model benchmarks, surpassing much larger models (i.e., GPT-OSS-120B) while being up to 9x smaller, and its effectiveness is further confirmed through extensive ablation studies. Our models, data, and code are available as open source at https://github.com/rubricreward/mr3.
Authors: Oussama Gabouj, Kamel Charaf, Ivan Zakazov, Nicolas Baldwin, Robert West
Abstract: Large Language Models (LLMs) achieve strong performance across diverse tasks, but their effectiveness often depends on the quality of the provided context. Retrieval-Augmented Generation (RAG) enriches prompts with external information, but its reliance on static databases constrains adaptability and can result in irrelevant demonstrations. In this work, we propose a Generative Retrieval-Aligned Demonstrator (GRAD), a dynamic demonstration-based approach where an LLM model is trained to generate input-specific concise demonstrations. By tailoring demonstrations to each input, our method offers better contextual support than traditional RAG approaches. We demonstrate the superiority of GRAD under budget constraints, where we limit both the number of tokens used per demonstration and the number of tokens used for the final output. Trained solely on a math dataset, GRAD consistently outperforms strong baselines on Qwen2.5-14B across mathematical reasoning and advanced STEM questions, highlighting GRAD's robust generalization to out-of-distribution (OOD) domains such as physics, chemistry, and computer science. Furthermore, we show that demonstrations generated by trained smaller models can effectively guide larger target models, reducing training costs while maintaining competitive accuracy. Overall, this work introduces a scalable demonstration generator model presenting the first step toward a dynamic few-shot learning paradigm in resource-constrained settings. We release the code used for the project.
Authors: Zhaosong Lu, Xiangyuan Wang
Abstract: We study a class of constrained nonconvex--nonconcave minimax problems in which the inner maximization involves potentially complex constraints. Under the assumption that the inner problem of a novel lifted minimax problem satisfies a local Kurdyka-{\L}ojasiewicz (KL) condition, we show that the maximal function of the original problem enjoys a local H\"older smoothness property. We also propose a sequential convex programming (SCP) method for solving constrained optimization problems and establish its convergence rate under a local KL condition. Leveraging these results, we develop an inexact proximal gradient method for the original minimax problem, where the inexact gradient of the maximal function is computed via the SCP method applied to a locally KL-structured subproblem. Finally, we establish complexity guarantees for the proposed method in computing an approximate stationary point of the original minimax problem.
Authors: Zhengyuan Jiang, Yuyang Zhang, Moyang Guo, Neil Zhenqiang Gong
Abstract: In this work, we formulate and study the problem of image-editing detection and attribution: given a base image and a suspicious image, detection seeks to determine whether the suspicious image was derived from the base image using an AI editing model, while attribution further identifies the specific editing model responsible. Existing methods for detecting and attributing AI-generated images are insufficient for this problem, as they focus on determining whether an image was AI-generated/edited rather than whether it was edited from a particular base image. To bridge this gap, we propose EditTrack, the first framework for this image-editing detection and attribution problem. Building on four key observations about the editing process, EditTrack introduces a novel re-editing strategy and leverages carefully designed similarity metrics to determine whether a suspicious image originates from a base image and, if so, by which model. We evaluate EditTrack on five state-of-the-art editing models across six datasets, demonstrating that it consistently achieves accurate detection and attribution, significantly outperforming five baselines.
Authors: Jiye Lee, Chenghui Li, Linh Tran, Shih-En Wei, Jason Saragih, Alexander Richard, Hanbyul Joo, Shaojie Bai
Abstract: We present an audio-driven real-time system for animating photorealistic 3D facial avatars with minimal latency, designed for social interactions in virtual reality for anyone. Central to our approach is an encoder model that transforms audio signals into latent facial expression sequences in real time, which are then decoded as photorealistic 3D facial avatars. Leveraging the generative capabilities of diffusion models, we capture the rich spectrum of facial expressions necessary for natural communication while achieving real-time performance (<15ms GPU time). Our novel architecture minimizes latency through two key innovations: an online transformer that eliminates dependency on future inputs and a distillation pipeline that accelerates iterative denoising into a single step. We further address critical design challenges in live scenarios for processing continuous audio signals frame-by-frame while maintaining consistent animation quality. The versatility of our framework extends to multimodal applications, including semantic modalities such as emotion conditions and multimodal sensors with head-mounted eye cameras on VR headsets. Experimental results demonstrate significant improvements in facial animation accuracy over existing offline state-of-the-art baselines, achieving 100 to 1000 times faster inference speed. We validate our approach through live VR demonstrations and across various scenarios such as multilingual speeches.
Authors: Tiexin Qin, Benjamin Walker, Terry Lyons, Hong Yan, Haoliang Li
Abstract: This paper focuses on representation learning for dynamic graphs with temporal interactions. A fundamental issue is that both the graph structure and the nodes own their own dynamics, and their blending induces intractable complexity in the temporal evolution over graphs. Drawing inspiration from the recent progress of physical dynamic models in deep neural networks, we propose Graph Neural Controlled Differential Equations (GN-CDEs), a continuous-time framework that jointly models node embeddings and structural dynamics by incorporating a graph enhanced neural network vector field with a time-varying graph path as the control signal. Our framework exhibits several desirable characteristics, including the ability to express dynamics on evolving graphs without piecewise integration, the capability to calibrate trajectories with subsequent data, and robustness to missing observations. Empirical evaluation on a range of dynamic graph representation learning tasks demonstrates the effectiveness of our proposed approach in capturing the complex dynamics of dynamic graphs.
Authors: Xavier Aramayo Carrasco, Maksim Nekrashevich, Petr Mokrov, Evgeny Burnaev, Alexander Korotin
Abstract: Recently, the Gromov-Wasserstein Optimal Transport (GWOT) problem has attracted the special attention of the ML community. In this problem, given two distributions supported on two (possibly different) spaces, one has to find the most isometric map between them. In the discrete variant of GWOT, the task is to learn an assignment between given discrete sets of points. In the more advanced continuous formulation, one aims at recovering a parametric mapping between unknown continuous distributions based on i.i.d. samples derived from them. The clear geometrical intuition behind the GWOT makes it a natural choice for several practical use cases, giving rise to a number of proposed solvers. Some of them claim to solve the continuous version of the problem. At the same time, GWOT is notoriously hard, both theoretically and numerically. Moreover, all existing continuous GWOT solvers still heavily rely on discrete techniques. Natural questions arise: to what extent do existing methods unravel the GWOT problem, what difficulties do they encounter, and under which conditions they are successful? Our benchmark paper is an attempt to answer these questions. We specifically focus on the continuous GWOT as the most interesting and debatable setup. We crash-test existing continuous GWOT approaches on different scenarios, carefully record and analyze the obtained results, and identify issues. Our findings experimentally testify that the scientific community is still missing a reliable continuous GWOT solver, which necessitates further research efforts. As the first step in this direction, we propose a new continuous GWOT method which does not rely on discrete techniques and partially solves some of the problems of the competitors.
Authors: Nihat Ay, Jesse van Oostrum, Adwait Datar
Abstract: This article studies the Fisher-Rao gradient, also referred to as the natural gradient, of the evidence lower bound (ELBO) which plays a central role in generative machine learning. It reveals that the gap between the evidence and its lower bound, the ELBO, has essentially a vanishing natural gradient within unconstrained optimization. As a result, maximization of the ELBO is equivalent to minimization of the Kullback-Leibler divergence from a target distribution, the primary objective function of learning. Building on this insight, we derive a condition under which this equivalence persists even when optimization is constrained to a model. This condition yields a geometric characterization, which we formalize through the notion of a cylindrical model.
Authors: Milin Zhang, Mohammad Abdi, Jonathan Ashdown, Francesco Restuccia
Abstract: Distributed deep neural networks (DNNs) have been shown to reduce the computational burden of mobile devices and decrease the end-to-end inference latency in edge computing scenarios. While distributed DNNs have been studied, to the best of our knowledge, the resilience of distributed DNNs to adversarial action remains an open problem. In this paper, we fill the existing research gap by rigorously analyzing the robustness of distributed DNNs against adversarial action. We cast this problem in the context of information theory and rigorously proved that (i) the compressed latent dimension improves the robustness but also affect task-oriented performance; and (ii) the deeper splitting point enhances the robustness but also increases the computational burden. These two trade-offs provide a novel perspective to design robust distributed DNN. To test our theoretical findings, we perform extensive experimental analysis by considering 6 different DNN architectures, 6 different approaches for distributed DNN and 10 different adversarial attacks using the ImageNet-1K dataset.
Authors: Rickard Br\"annvall, Andrei Stoian
Abstract: To enhance the computational efficiency of quantized Transformers, we replace the dot-product and Softmax-based attention with an alternative mechanism involving addition and ReLU activation only. This side-steps the expansion to double precision often required by matrix multiplication and avoids costly Softmax evaluations but maintains much of the core functionality of conventional dot-product attention. It can enable more efficient execution and support larger quantized Transformer models on resource-constrained hardware or alternative arithmetic systems like homomorphic encryption. Training experiments on four common benchmark tasks show test set prediction scores comparable to those of conventional Transformers with dot-product attention. Our scaling experiments also suggest significant computational savings, both in plaintext and under encryption. In particular, we believe that the ReLU and addition-based attention mechanism examined in this paper may enable privacy-preserving AI applications operating under homomorphic encryption by avoiding the costly multiplication of encrypted variables.
Authors: Mengfei Xia, Yujun Shen, Ceyuan Yang, Ran Yi, Wenping Wang, Yong-Jin Liu
Abstract: Generative adversarial networks (GANs) usually struggle in learning from highly diverse data, whose underlying manifold is complex. In this work, we revisit the mathematical foundations of GANs, and theoretically reveal that the native adversarial loss for GAN training is insufficient to fix the problem of \textit{subsets with positive Lebesgue measure of the generated data manifold lying out of the real data manifold}. Instead, we find that score matching serves as a promising solution to this issue thanks to its capability of persistently pushing the generated data points towards the real data manifold. We thereby propose to improve the optimization of GANs with score matching regularity (SMaRt). Regarding the empirical evidences, we first design a toy example to show that training GANs by the aid of a ground-truth score function can help reproduce the real data distribution more accurately, and then confirm that our approach can consistently boost the synthesis performance of various state-of-the-art GANs on real-world datasets with pre-trained diffusion models acting as the approximate score function. For instance, when training Aurora on the ImageNet $64\times64$ dataset, we manage to improve FID from 8.87 to 7.11, on par with the performance of one-step consistency model. Code is available at \href{https://github.com/thuxmf/SMaRt}{https://github.com/thuxmf/SMaRt}.
URLs: https://github.com/thuxmf/SMaRt, https://github.com/thuxmf/SMaRt
Authors: David Yevick, Karolina Hutchison
Abstract: This paper examines in detail the geometric structure of principal component analysis (PCA) by considering in detail the distributions of both unrotated and rotated MNIST digits in the space defined by the lowest order PCA components. Since digits possessing salient geometric features are mapped to restricted regions far from the origin, they are predicted by neural networks with a greater accuracy than digits that are mapped to broad, diffuse and overlapping volumes of the low order PCA space. Motivated by these results, a new quantity, the local PCA entropy, obtained by dividing the spatial region spanned by the low order principal components into histogram bins and evaluating the entropy associated with the number of occurrences of each input class within a bin, is introduced. The metric locates the input data records that yield the largest confusion in prediction accuracy within reduced coordinate volumes that optimally discriminate among geometric features. As an example of the potential utility of the local PCA entropy, a simple data balancing procedure is realized by oversampling the data records in regions of large local entropy.
Authors: Edith Cohen, Benjamin Cohen-Wang, Xin Lyu, Jelani Nelson, Tamas Sarlos, Uri Stemmer
Abstract: The Private Aggregation of Teacher Ensembles (PATE) framework enables privacy-preserving machine learning by aggregating responses from disjoint subsets of sensitive data. Adaptations of PATE to tasks with inherent output diversity such as text generation, where the desired output is a sample from a distribution, face a core tension: as diversity increases, samples from different teachers are less likely to agree, but lower agreement results in reduced utility for the same privacy requirements. Yet suppressing diversity to artificially increase agreement is undesirable, as it distorts the output of the underlying model, and thus reduces output quality. We propose Hot PATE, a variant of PATE designed for diverse generative settings. We formalize the notion of a diversity-preserving ensemble sampler and introduce an efficient sampler that provably transfers diversity without incurring additional privacy cost. Hot PATE requires only API access to proprietary models and can be used as a drop-in replacement for existing Cold PATE samplers. Our empirical evaluations corroborate and quantify the benefits, showing significant improvements in the privacy utility trade-off on evaluated in-context learning tasks, both in preserving diversity and in returning relevant responses.
Authors: Wenqian Ye (Kenneth), Luyang Jiang (Kenneth), Eric Xie (Kenneth), Guangtao Zheng (Kenneth), Yunsheng Ma (Kenneth), Xu Cao (Kenneth), Dongliang Guo (Kenneth), Daiqing Qi (Kenneth), Zeyu He (Kenneth), Yijun Tian (Kenneth), Megan Coffee (Kenneth), Zhe Zeng (Kenneth), Sheng Li (Kenneth), Ting-hao (Kenneth), Huang, Ziran Wang, James M. Rehg, Henry Kautz, Aidong Zhang
Abstract: Back in the early 20th century, a horse named Hans appeared to perform arithmetic and other intellectual tasks during exhibitions in Germany, while it actually relied solely on involuntary cues in the body language from the human trainer. Modern machine learning models are no different. These models are known to be sensitive to spurious correlations between non-essential features of the inputs (e.g., background, texture, and secondary objects) and the corresponding labels. Such features and their correlations with the labels are known as "spurious" because they tend to change with shifts in real-world data distributions, which can negatively impact the model's generalization and robustness. In this paper, we provide a comprehensive survey of this emerging issue, along with a fine-grained taxonomy of existing state-of-the-art methods for addressing spurious correlations in machine learning models. Additionally, we summarize existing datasets, benchmarks, and metrics to facilitate future research. The paper concludes with a discussion of the broader impacts, the recent advancements, and future challenges in the era of generative AI, aiming to provide valuable insights for researchers in the related domains of the machine learning community.
Authors: Spencer Young, Porter Jenkins, Longchao Da, Jeff Dotson, Hua Wei
Abstract: Neural networks capable of accurate, input-conditional uncertainty representation are essential for real-world AI systems. Deep ensembles of Gaussian networks have proven highly effective for continuous regression due to their ability to flexibly represent aleatoric uncertainty via unrestricted heteroscedastic variance, which in turn enables accurate epistemic uncertainty estimation. However, no analogous approach exists for count regression, despite many important applications. To address this gap, we propose the Deep Double Poisson Network (DDPN), a novel neural discrete count regression model that outputs the parameters of the Double Poisson distribution, enabling arbitrarily high or low predictive aleatoric uncertainty for count data and improving epistemic uncertainty estimation when ensembled. We formalize and prove that DDPN exhibits robust regression properties similar to heteroscedastic Gaussian models via learnable loss attenuation, and introduce a simple loss modification to control this behavior. Experiments on diverse datasets demonstrate that DDPN outperforms current baselines in accuracy, calibration, and out-of-distribution detection, establishing a new state-of-the-art in deep count regression.
Authors: Berker Demirel, Marco Fumero, Francesco Locatello
Abstract: Deep learning systems deployed in real-world applications often encounter data that is different from their in-distribution (ID). A reliable model should ideally abstain from making decisions in this out-of-distribution (OOD) setting. Existing state-of-the-art methods primarily focus on feature distances, such as k-th nearest neighbors and distances to decision boundaries, either overlooking or ineffectively using in-distribution statistics. In this work, we propose a novel angle-based metric for OOD detection that is computed relative to the in-distribution structure. We demonstrate that the angles between feature representations and decision boundaries, viewed from the mean of in-distribution features, serve as an effective discriminative factor between ID and OOD data. We evaluate our method on nine ImageNet-pretrained models. Our approach achieves the lowest FPR in 5 out of 9 ImageNet models, obtains the best average FPR overall, and consistently ranking among the top 3 across all evaluated models. Furthermore, we highlight the benefits of contrastive representations by showing strong performance with ResNet SCL and CLIP architectures. Finally, we demonstrate that the scale-invariant nature of our score enables an ensemble strategy via simple score summation. Code is available at https://github.com/berkerdemirel/ORA-OOD-Detection-with-Relative-Angles.
URLs: https://github.com/berkerdemirel/ORA-OOD-Detection-with-Relative-Angles.
Authors: Yanru Sun, Zongxia Xie, Emadeldeen Eldele, Dongyue Chen, Qinghua Hu, Min Wu
Abstract: Time series forecasting, which aims to predict future values based on historical data, has garnered significant attention due to its broad range of applications. However, real-world time series often exhibit complex non-uniform distribution with varying patterns across segments, such as season, operating condition, or semantic meaning, making accurate forecasting challenging. Existing approaches, which typically train a single model to capture all these diverse patterns, often struggle with the pattern drifts between patches and may lead to poor generalization. To address these challenges, we propose TFPS, a novel architecture that leverages pattern-specific experts for more accurate and adaptable time series forecasting. TFPS employs a dual-domain encoder to capture both time-domain and frequency-domain features, enabling a more comprehensive understanding of temporal dynamics. It then uses subspace clustering to dynamically identify distinct patterns across data patches. Finally, pattern-specific experts model these unique patterns, delivering tailored predictions for each patch. By explicitly learning and adapting to evolving patterns, TFPS achieves significantly improved forecasting accuracy. Extensive experiments on real-world datasets demonstrate that TFPS outperforms state-of-the-art methods, particularly in long-term forecasting, through its dynamic and pattern-aware learning approach. The data and codes are available: https://github.com/syrGitHub/TFPS.
Authors: Konstantinos Kontras, Thomas Strypsteen, Christos Chatzichristos, Paul Pu Liang, Matthew Blaschko, Maarten De Vos
Abstract: Multimodal learning holds promise for richer information extraction by capturing dependencies across data sources. Yet, current training methods often underperform due to modality competition, a phenomenon where modalities contend for training resources leaving some underoptimized. This raises a pivotal question: how can we address training imbalances, ensure adequate optimization across all modalities, and achieve consistent performance improvements as we transition from unimodal to multimodal data? This paper proposes the Multimodal Competition Regularizer (MCR), inspired by a mutual information (MI) decomposition designed to prevent the adverse effects of competition in multimodal training. Our key contributions are: 1) A game-theoretic framework that adaptively balances modality contributions by encouraging each to maximize its informative role in the final prediction 2) Refining lower and upper bounds for each MI term to enhance the extraction of both task-relevant unique and shared information across modalities. 3) Proposing latent space permutations for conditional MI estimation, significantly improving computational efficiency. MCR outperforms all previously suggested training strategies and simple baseline, clearly demonstrating that training modalities jointly leads to important performance gains on both synthetic and large real-world datasets. We release our code and models at https://github.com/kkontras/MCR.
Authors: Namkyeong Lee, Yunhak Oh, Heewoong Noh, Gyoung S. Na, Minkai Xu, Hanchen Wang, Tianfan Fu, Chanyoung Park
Abstract: Molecular Relational Learning (MRL) is a rapidly growing field that focuses on understanding the interaction dynamics between molecules, which is crucial for applications ranging from catalyst engineering to drug discovery. Despite recent progress, earlier MRL approaches are limited to using only the 2D topological structure of molecules, as obtaining the 3D interaction geometry remains prohibitively expensive. This paper introduces a novel 3D geometric pre-training strategy for MRL (3DMRL) that incorporates a 3D virtual interaction environment, overcoming the limitations of costly traditional quantum mechanical calculation methods. With the constructed 3D virtual interaction environment, 3DMRL trains 2D MRL model to learn the global and local 3D geometric information of molecular interaction. Extensive experiments on various tasks using real-world datasets, including out-of-distribution and extrapolation scenarios, demonstrate the effectiveness of 3DMRL, showing up to a 24.93% improvement in performance across 40 tasks. Our code is publicly available at https://github.com/Namkyeong/3DMRL.
Authors: Mohamed Ayoub Ben Ayad, Jelena Mitrovic, Michael Granitzer
Abstract: We introduce Krony-PT, a compression technique for GPT-2 based on Kronecker products. We specifically target the feed-forward weights of each transformer block, and systematically compress the feed-forward layer matrices to various degrees. We introduce a modified Van Loan decomposition to initialize new Kronecker factors, and also propose a new pruning-based initialization technique. Our method compresses the original 124M-parameter GPT-2 to various smaller models, ranging from 80M to 96M. Our 81M model variant outperforms DistilGPT2 on next-token prediction across all standard language modeling datasets, and shows competitive or comparable performance with significantly larger Kronecker-based compressions of GPT-2.
Authors: Jiayi Huang, Sangwoo Park, Nicola Paoletti, Osvaldo Simeone
Abstract: Deploying artificial intelligence (AI) models on edge devices involves a delicate balance between meeting stringent complexity constraints, such as limited memory and energy resources, and ensuring reliable performance in sensitive decision-making tasks. One way to enhance reliability is through uncertainty quantification via Bayesian inference. This approach, however, typically necessitates maintaining and running multiple models in an ensemble, which may exceed the computational limits of edge devices. This paper introduces a low-complexity methodology to address this challenge by distilling calibration information from a more complex model. In an offline phase, predictive probabilities generated by a high-complexity cloud-based model are leveraged to determine a threshold based on the typical divergence between the cloud and edge models. At run time, this threshold is used to construct credal sets -- ranges of predictive probabilities that are guaranteed, with a user-selected confidence level, to include the predictions of the cloud model. The credal sets are obtained through thresholding of a divergence measure in the simplex of predictive probabilities. Experiments on visual and language tasks demonstrate that the proposed approach, termed Conformalized Distillation for Credal Inference (CD-CI), significantly improves calibration performance compared to low-complexity Bayesian methods, such as Laplace approximation, making it a practical and efficient solution for edge AI deployments.
Authors: Huy Q. Le, Ye Lin Tun, Yu Qiao, Minh N. H. Nguyen, Keon Oh Kim, Eui-Nam Huh, Choong Seon Hong
Abstract: Federated Learning (FL) has emerged as a decentralized machine learning technique, allowing clients to train a global model collaboratively without sharing private data. However, most FL studies ignore the crucial challenge of heterogeneous domains where each client has a distinct feature distribution, which is popular in real-world scenarios. Prototype learning, which leverages the mean feature vectors within the same classes, has become a prominent solution for federated learning under domain shift. However, existing federated prototype learning methods focus soley on inter-domain prototypes and neglect intra-domain perspectives. In this work, we introduce a novel federated prototype learning method, namely I$^2$PFL, which incorporates $\textbf{I}$ntra-domain and $\textbf{I}$nter-domain $\textbf{P}$rototypes, to mitigate domain shift from both perspectives and learn a generalized global model across multiple domains in federated learning. To construct intra-domain prototypes, we propose feature alignment with MixUp-based augmented prototypes to capture the diversity within local domains and enhance the generalization of local features. Additionally, we introduce a reweighting mechanism for inter-domain prototypes to generate generalized prototypes that reduce domain shift while providing inter-domain knowledge across multiple clients. Extensive experiments on the Digits, Office-10, and PACS datasets illustrate the superior performance of our method compared to other baselines.
Authors: Nurbek Tastan, Samuel Horvath, Karthik Nandakumar
Abstract: Collaborative learning (CL) enables multiple participants to jointly train machine learning (ML) models on decentralized data sources without raw data sharing. While the primary goal of CL is to maximize the expected accuracy gain for each participant, it is also important to ensure that the gains are fairly distributed: no client should be negatively impacted, and gains should reflect contributions. Most existing CL methods require central coordination and focus only on gain maximization, overlooking fairness. In this work, we first show that the existing measure of collaborative fairness based on the correlation between accuracy values without and with collaboration has drawbacks because it does not account for negative collaboration gain. We argue that maximizing mean collaboration gain (MCG) while simultaneously minimizing the collaboration gain spread (CGS) is a fairer alternative. Next, we propose the CYCle protocol that enables individual participants in a private decentralized learning (PDL) framework to achieve this objective through a novel reputation scoring method based on gradient alignment between the local cross-entropy and distillation losses. We further extend the CYCle protocol to operate on top of gossip-based decentralized algorithms such as Gossip-SGD. We also theoretically show that CYCle performs better than standard FedAvg in a two-client mean estimation setting under high heterogeneity. Empirical experiments demonstrate the effectiveness of the CYCle protocol to ensure positive and fair collaboration gain for all participants, even in cases where the data distributions of participants are highly skewed.
Authors: Nurbek Tastan, Karthik Nandakumar
Abstract: Foundation models (FMs) excel in zero-shot tasks but benefit from task-specific adaptation. However, privacy concerns prevent data sharing among multiple data owners, and proprietary restrictions prevent the learning service provider (LSP) from sharing the FM. In this work, we propose BlindFed, a framework enabling collaborative FM adaptation while protecting both parties: data owners do not access the FM or each other's data, and the LSP does not see sensitive task data. BlindFed relies on fully homomorphic encryption (FHE) and consists of three key innovations: (i) FHE-friendly architectural modifications via polynomial approximations and low-rank adapters, (ii) a two-stage split learning approach combining offline knowledge distillation and online encrypted inference for adapter training without backpropagation through the FM, and (iii) a privacy-boosting scheme using sample permutations and stochastic block sampling to mitigate model extraction attacks. Empirical results on four image classification datasets demonstrate the practical feasibility of the BlindFed framework, albeit at a high communication cost and large computational complexity for the LSP.
Authors: Finn Rietz, Oleg Smirnov, Sara Karimi, Lele Cao
Abstract: Prompt tuning has emerged as a key technique for adapting large pre-trained Decision Transformers (DTs) in offline Reinforcement Learning (RL), particularly in multi-task and few-shot settings. The Prompting Decision Transformer (PDT) enables task generalization via trajectory prompts sampled uniformly from expert demonstrations -- without accounting for prompt informativeness. In this work, we propose a bandit-based prompt-tuning method that learns to construct optimal trajectory prompts from demonstration data at inference time. We devise a structured bandit architecture operating in the trajectory prompt space, achieving linear rather than combinatorial scaling with prompt size. Additionally, we show that the pre-trained PDT itself can serve as a powerful feature extractor for the bandit, enabling efficient reward modeling across various environments. We theoretically establish regret bounds and demonstrate empirically that our method consistently enhances performance across a wide range of tasks, high-dimensional environments, and out-of-distribution scenarios, outperforming existing baselines in prompt tuning.
Authors: Dongki Kim, Wonbin Lee, Sung Ju Hwang
Abstract: Understanding molecules is key to understanding organisms and driving advances in drug discovery, requiring interdisciplinary knowledge across chemistry and biology. Although large molecular language models have achieved notable success in task transfer, they often struggle to accurately analyze molecular features due to limited knowledge and reasoning capabilities. To address this issue, we present Mol-LLaMA, a large molecular language model that grasps the general knowledge centered on molecules and exhibits explainability and reasoning ability. To this end, we design key data types that encompass the fundamental molecular features, taking into account the essential abilities for molecular reasoning. Further, to improve molecular understanding, we propose a module that integrates complementary information from different molecular encoders, leveraging the distinct advantages of molecular representations. Our experimental results demonstrate that Mol-LLaMA is capable of comprehending the general features of molecules and providing informative responses, implying its potential as a general-purpose assistant for molecular analysis. Our project page is at https://mol-llama.github.io/.
Authors: Thien Pham, Angelo Furno, Fa\"icel Chamroukhi, Latifa Oukhellou
Abstract: This paper presents an advanced Federated Learning (FL) framework for forecasting complex spatiotemporal data, improving upon recent state-of-the-art models. In the proposed approach, the original Gated Recurrent Unit (GRU) module within previous Dynamic Spatial--Temporal Graph Convolutional Recurrent Network (DSTGCRN) modeling is first replaced with a Long Short-Term Memory (LSTM) network, enabling the resulting model to more effectively capture long-term dependencies inherent to time series data. The resulting architecture significantly improves the model's capacity to handle complex temporal patterns in diverse forecasting applications. Furthermore, the proposed FL framework integrates a novel Client-Side Validation (CSV) mechanism, introducing a critical validation step at the client level before incorporating aggregated parameters from the central server into local models, ensuring only the most effective updates are retained and improving both the robustness and accuracy of the forecasting model across clients. The efficiency of our approach is demonstrated through extensive experiments on real-world applications, including public datasets for multimodal transport demand forecasting and private datasets for Origin-Destination (OD) matrix forecasting in urban areas. The results demonstrate substantial improvements over conventional methods, highlighting the framework's ability to capture complex spatiotemporal dependencies while preserving data privacy. This work not only provides a scalable and privacy-preserving solution for real-time, region-specific forecasting and management but also underscores the potential of leveraging distributed data sources in a FL context. We provide our algorithms as open-source on GitHub
Authors: Kaiyuan Hou, Minghui Zhao, Lilin Xu, Yuang Fan, Xiaofan Jiang
Abstract: Top-down images play an important role in safety-critical settings such as autonomous navigation and aerial surveillance, where they provide holistic spatial information that front-view images cannot capture. Despite this, Vision Language Models (VLMs) are mostly trained and evaluated on front-view benchmarks, leaving their performance in the top-down setting poorly understood. Existing evaluations also overlook a unique property of top-down images: their physical meaning is preserved under rotation. In addition, conventional accuracy metrics can be misleading, since they are often inflated by hallucinations or "lucky guesses", which obscures a model's true reliability and its grounding in visual evidence. To address these issues, we introduce TDBench, a benchmark for top-down image understanding that includes 2000 curated questions for each rotation. We further propose RotationalEval (RE), which measures whether models provide consistent answers across four rotated views of the same scene, and we develop a reliability framework that separates genuine knowledge from chance. Finally, we conduct four case studies targeting underexplored real-world challenges. By combining rigorous evaluation with reliability metrics, TDBench not only benchmarks VLMs in top-down perception but also provides a new perspective on trustworthiness, guiding the development of more robust and grounded AI systems. Project homepage: https://github.com/Columbia-ICSL/TDBench
Authors: Yixuan Even Xu, Yash Savani, Fei Fang, J. Zico Kolter
Abstract: Reinforcement learning with verifiable rewards (RLVR) has emerged as the leading approach for enhancing reasoning capabilities in large language models. However, it faces a fundamental compute and memory asymmetry: rollout generation is embarrassingly parallel and memory-light, whereas policy updates are communication-heavy and memory-intensive. To address this, we introduce PODS (Policy Optimization with Down-Sampling), which decouples rollout generation from policy updates by training only on a strategically selected subset of rollouts, maintaining learning quality while dramatically reducing update costs. We propose a principled subset selection criterion, max-variance down-sampling, that maximizes reward diversity, and provide an efficient $O(n\log n)$ implementation. Empirically, Group Relative Policy Optimization (GRPO) with PODS achieves the peak test accuracy of vanilla GRPO at least $\mathbf{1.7\times}$ faster across the different reasoning benchmarks and hardware configurations we tested.
Authors: Peter Chen, Xiaopeng Li, Ziniu Li, Xi Chen, Tianyi Lin
Abstract: Reinforcement learning (RL) has proven effective in strengthening the reasoning capabilities of large language models (LLMs). A widely adopted method, Group Relative Policy Optimization (GRPO), has shown strong empirical results in training DeepSeek-R1. However, GRPO fails to update the policy when all responses within a group are incorrect (i.e., \emph{all-negative-sample} groups). This limitation underscores a key gap between artificial and human intelligence: unlike humans, who can learn from mistakes, GRPO discards these signals. Our first contribution is to introduce a simple framework that mitigates the all-negative-sample issue by incorporating response diversity within groups using a \textit{step-wise} judge model, which can be either directly trained or adapted from existing LLMs. We prove that this diversification can accelerate GRPO's learning dynamics in a simplified setting. We also empirically validate the proposed stepwise guided policy optimization (SGPO) method, demonstrating consistent gains across model sizes (7B, 14B, 32B) in offline and online training on 9 benchmarks, including base and distilled variants. Our results highlight two advantages: (i) SGPO surpasses GRPO, especially in the early and mid-training stages where all-negative-sample groups are prevalent; and (ii) SGPO does not require judge models to generate correct answers, differentiating it from knowledge distillation methods.
Authors: Jared Boyer, T. Konstantin Rusch, Daniela Rus
Abstract: State-space models (SSMs) are a class of networks for sequence learning that benefit from fixed state size and linear complexity with respect to sequence length, contrasting the quadratic scaling of typical attention mechanisms. Inspired from observations in neuroscience, Linear Oscillatory State-Space models (LinOSS) are a recently proposed class of SSMs constructed from layers of discretized forced harmonic oscillators. Although these models perform competitively, leveraging fast parallel scans over diagonal recurrent matrices and achieving state-of-the-art performance on tasks with sequence length up to 50k, LinOSS models rely on rigid energy dissipation ("forgetting") mechanisms that are inherently coupled to the time scale of state evolution. As forgetting is a crucial mechanism for long-range reasoning, we demonstrate the representational limitations of these models and introduce Damped Linear Oscillatory State-Space models (D-LinOSS), a more general class of oscillatory SSMs that learn to dissipate latent state energy on arbitrary time scales. We analyze the spectral distribution of the model's recurrent matrices and prove that the SSM layers exhibit stable dynamics under a simple, flexible parameterization. Without introducing additional complexity, D-LinOSS consistently outperforms previous LinOSS methods on long-range learning tasks, achieves faster convergence, and reduces the hyperparameter search space by 50%.
Authors: Pranav Vaidhyanathan, Lucas Schorling, Natalia Ares, Michael A. Osborne
Abstract: We introduce Velocity-Regularized Adam (VRAdam), a physics-inspired optimizer for training deep neural networks that draws on ideas from quartic terms for kinetic energy with its stabilizing effects on various system dynamics. Previous algorithms, including the ubiquitous Adam, operate at the so-called adaptive edge of stability regime during training, leading to rapid oscillations and slowed convergence of loss. However, VRAdam adds a higher order penalty on the learning rate based on the velocity such that the algorithm automatically slows down whenever weight updates become large. In practice, we observe that the effective dynamic learning rate shrinks in high-velocity regimes, and damping oscillations. By combining this velocity-based regularizer for global damping with per-parameter scaling of Adam, we create a powerful hybrid optimizer. For this optimizer, we provide rigorous theoretical analysis of operation at the edge of stability from a physical and control perspective for the momentum. Furthermore, we derive convergence bounds with the rate $\mathcal{O}(\ln(N)/\sqrt{N})$ for a stochastic non convex objective under mild assumptions. We demonstrate that VRAdam exceeds the performance against standard optimizers including AdamW. We benchmark various tasks such as image classification, language modeling, and generative modeling using diverse architectures and training methodologies including Convolutional Neural Networks (CNNs), Transformers, and GFlowNets.
Authors: Eric Hanchen Jiang, Haozheng Luo, Shengyuan Pang, Xiaomin Li, Zhenting Qi, Hengli Li, Cheng-Fu Yang, Zongyu Lin, Xinfeng Li, Hao Xu, Kai-Wei Chang, Ying Nian Wu
Abstract: Large Language Models (LLMs) struggle with reliable mathematical reasoning, and current verification methods are often computationally expensive. This paper introduces the Energy Outcome Reward Model (EORM), a highly efficient, lightweight post-hoc verifier designed to address this challenge. EORM uses an energy-based framework to rank Chain-of-Thought (CoT) solutions, learning to distinguish correct from incorrect reasoning using only simple outcome labels, thus eliminating the need for expensive annotations. With only 55M parameters, over 127 times smaller than typical reward models, EORM boosts the accuracy of Llama 3 8B to 90.7\% on GSM8k and 63.7\% on MATH. This performance is achieved by efficiently selecting the optimal reasoning path from a pool of candidates, allowing it to match or exceed the accuracy of far more resource-intensive Best-of-N sampling techniques. Crucially, our experiments show that EORM generalizes effectively to out-of-distribution problems and unseen models, indicating it learns fundamental principles of valid reasoning. This robustness, combined with its efficiency, establishes EORM as a practical tool for deploying more dependable LLMs in complex, real-world applications.
Authors: Jacopo Teneggi, Zhenzhen Wang, Paul H. Yi, Tianmin Shu, Jeremias Sulam
Abstract: Concept-based explanation methods aim at making machine learning models more transparent by finding the most important semantic features of an input (e.g., colors, patterns, shapes) for a given prediction task. However, these methods generally ignore the communicative context of explanations, such as the preferences of a listener. For example, medical doctors understand explanations in terms of clinical markers, but patients may not, needing a different vocabulary to rationalize the same diagnosis. We address this gap with listener-adaptive explanations grounded in principles of pragmatic reasoning and the rational speech act. We introduce an iterative training procedure based on direct preference optimization where a speaker learns to compose explanations that maximize communicative utility for a listener. Our approach only needs access to pairwise preferences, which can be collected from human feedback, making it particularly relevant in real-world scenarios where a model of the listener may not be available. We demonstrate that our method is able to align speakers with the preferences of simulated listeners on image classification across three datasets, and further validate that pragmatic explanations generated with our method improve the classification accuracy of participants in a user study.
Authors: Viacheslav Sinii, Alexey Gorbatovski, Artem Cherepanov, Boris Shaposhnikov, Nikita Balagansky, Daniil Gavrilov
Abstract: We show that training a single $d$-dimensional steering vector per layer with reinforcement learning, while freezing all base weights, matches the accuracy of fully RL-tuned reasoning models on mathematical-reasoning tasks. On an 8 billion-parameter model this adds only $\approx 0.0016\%$ additional parameters and reproduces performance across a range of base models and mathematical-reasoning benchmarks. These results tighten the upper bound on the parameter budget required for high-level chain-of-thought reasoning, indicating that millions of adapter weights are unnecessary. The minimal trainable footprint reduces optimizer memory and inter-GPU communication, lowering the overall cost of fine-tuning. Moreover, a logit-lens analysis shows that the learned vectors amplify coherent token directions, providing clearer insight into the model's internal computations.
Authors: Florian Eichin, Yupei Du, Philipp Mondorf, Maria Matveev, Barbara Plank, Michael A. Hedderich
Abstract: Post-hoc interpretability methods typically attribute a model's behavior to its components, data, or training trajectory in isolation. This leads to explanations that lack a unified view and may miss key interactions. While combining existing methods or applying them at different training stages offers broader insights, such approaches usually lack theoretical support. In this work, we present ExPLAIND, a unified framework that integrates all these perspectives. First, we generalize recent work on gradient path kernels, which reformulate models trained by gradient descent as a kernel machine, to realistic settings like AdamW. We empirically validate that a CNN and a Transformer are accurately replicated by this reformulation. Second, we derive novel parameter- and step-wise influence scores from the kernel feature maps. Their effectiveness for parameter pruning is comparable to existing methods, demonstrating their value for model component attribution. Finally, jointly interpreting model components and data over the training process, we leverage ExPLAIND to analyze a Transformer that exhibits Grokking. Our findings support previously proposed stages of Grokking, while refining the final phase as one of alignment of input embeddings and final layers around a representation pipeline learned after the memorization phase. Overall, ExPLAIND provides a theoretically grounded, unified framework to interpret model behavior and training dynamics.
Authors: Dane Malenfant, Blake A. Richards
Abstract: Sometimes we benefit from actions that others have taken even when we are unaware that they took those actions. For example, if your neighbor chooses not to take a parking spot in front of your house when you are not there, you can benefit, even without being aware that they took this action. These ``hidden gifts'' represent an interesting challenge for multi-agent reinforcement learning (MARL), since assigning credit when the beneficial actions of others are hidden is non-trivial. Here, we study the impact of hidden gifts with a very simple MARL task. In this task, agents in a grid-world environment have individual doors to unlock in order to obtain individual rewards. As well, if all the agents unlock their door the group receives a larger collective reward. However, there is only one key for all of the doors, such that the collective reward can only be obtained when the agents drop the key for others after they use it. Notably, there is nothing to indicate to an agent that the other agents have dropped the key, thus this act for others is a ``hidden gift''. We show that several different state-of-the-art MARL algorithms, including MARL specific architectures, fail to learn how to obtain the collective reward in this simple task. Interestingly, we find that decentralized actor-critic policy gradient agents can succeed when we provide them with information about their own action history, but MARL agents still cannot solve the task with action history. Finally, we derive a correction term for policy gradient agents, inspired by learning aware approaches, which reduces the variance in learning and helps them to converge to collective success more reliably. These results show that credit assignment in multi-agent settings can be particularly challenging in the presence of ``hidden gifts'', and demonstrate that self learning-awareness in decentralized agents can benefit these settings.
Authors: David Steinmann, Wolfgang Stammer, Antonia W\"ust, Kristian Kersting
Abstract: Developing high-performing, yet interpretable models remains a critical challenge in modern AI. Concept-based models (CBMs) attempt to address this by extracting human-understandable concepts from a global encoding (e.g., image encoding) and then applying a linear classifier on the resulting concept activations, enabling transparent decision-making. However, their reliance on holistic image encodings limits their expressiveness in object-centric real-world settings and thus hinders their ability to solve complex vision tasks beyond single-label classification. To tackle these challenges, we introduce Object-Centric Concept Bottlenecks (OCB), a framework that combines the strengths of CBMs and pre-trained object-centric foundation models, boosting performance and interpretability. We evaluate OCB on complex image datasets and conduct a comprehensive ablation study to analyze key components of the framework, such as strategies for aggregating object-concept encodings. The results show that OCB outperforms traditional CBMs and allows one to make interpretable decisions for complex visual tasks.
Authors: Oliver Mortensen, Mohammad Sadegh Talebi
Abstract: In this paper, we analyze the sample complexities of learning the optimal state-action value function $Q^*$ and an optimal policy $\pi^*$ in a finite discounted Markov decision process (MDP) where the agent has recursive entropic risk-preferences with risk-parameter $\beta\neq 0$ and where a generative model of the MDP is available. We provide and analyze a simple model based approach which we call model-based risk-sensitive $Q$-value-iteration (MB-RS-QVI) which leads to $(\varepsilon,\delta)$-PAC-bounds on $\|Q^*-Q^k\|$, and $\|V^*-V^{\pi_k}\|$ where $Q_k$ is the output of MB-RS-QVI after k iterations and $\pi_k$ is the greedy policy with respect to $Q_k$. Both PAC-bounds have exponential dependence on the effective horizon $\frac{1}{1-\gamma}$ and the strength of this dependence grows with the learners risk-sensitivity $|\beta|$. We also provide two lower bounds which shows that exponential dependence on $|\beta|\frac{1}{1-\gamma}$ is unavoidable in both cases. The lower bounds reveal that the PAC-bounds are tight in the parameters $S,A,\delta,\varepsilon$ and that unlike in the classical setting it is not possible to have polynomial dependence in all model parameters.
Authors: Seongjae Kang, Dong Bok Lee, Hyungjoon Jang, Dongseop Kim, Sung Ju Hwang
Abstract: Knowledge distillation (KD) is a widely used framework for training compact, task-specific models by transferring the knowledge from teacher models. However, its application to active learning (AL), which aims to minimize annotation costs through iterative sample selection, remains underexplored. This gap stems from the fact that KD typically assumes access to sufficient labeled data, whereas AL operates in data-scarce scenarios where task-specific teacher models are often unavailable. In this paper, we first introduce ActiveKD, a framework that integrates AL with KD by leveraging the zero- and few-shot capabilities of large vision-language models (VLMs). A key aspect of ActiveKD is the structured prediction bias of VLMs-i.e., their predictions form clusters in the probability space. We regard this structure as an inductive bias of the teacher model, capturing generalizable output patterns beneficial to student learning. To exploit this bias, we propose Probabilistic CoreSet (PCoreSet), a selection strategy that maximizes coverage in the probability space rather than the feature space. PCoreSet strategically selects probabilistically diverse unlabeled samples, facilitating more efficient transfer of teacher knowledge under limited annotation budgets. Extensive evaluations on 11 datasets show that ActiveKD consistently improves performance across selection methods (e.g., +29.07% on ImageNet, averaged over methods). Under ActiveKD, PCoreSet ranks first in 64/73 settings (approximately 87.7%) across 5 student and 3 teacher networks, always achieving the best performance except for first 2 AL rounds. Our code is available at https://github.com/erjui/PCoreSet.
Authors: Jonathan Geuter, Youssef Mroueh, David Alvarez-Melis
Abstract: We propose Guided Speculative Inference (GSI), a novel algorithm for efficient reward-guided decoding in large language models. GSI combines soft best-of-$n$ test-time scaling with a reward model $r(x,y)$ and speculative samples from a small auxiliary model $\pi_S(y\mid x)$. We provably approximate both the optimal tilted policy $\pi_{\beta,B}(y\mid x) \propto \pi_B(y\mid x)\exp(\beta\,r(x,y))$ of soft best-of-$n$ under the base model $\pi_B$, as well as the expected reward under the optimal policy. In experiments on reasoning benchmarks (MATH500, OlympiadBench, Minerva Math, MMLU-STEM, GSM8K), our method achieves higher accuracy than standard soft best-of-$n$ with $\pi_S$ and reward-guided speculative decoding (Liao et al., 2025), and in certain settings even outperforms soft best-of-$n$ with $\pi_B$. The code is available at https://github.com/j-geuter/GSI .
Authors: Atamert Rahma, Chinmay Datar, Ana Cukarska, Felix Dietrich
Abstract: Learning dynamical systems that respect physical symmetries and constraints remains a fundamental challenge in data-driven modeling. Integrating physical laws with graph neural networks facilitates principled modeling of complex N-body dynamics and yields accurate and permutation-invariant models. However, training graph neural networks with iterative, gradient-based optimization algorithms (e.g., Adam, RMSProp, LBFGS) often leads to slow training, especially for large, complex systems. In comparison to 15 different optimizers, we demonstrate that Hamiltonian Graph Networks (HGN) can be trained up to 600x faster--but with comparable accuracy--by replacing iterative optimization with random feature-based parameter construction. We show robust performance in diverse simulations, including N-body mass-spring and molecular systems in up to 3 dimensions and 10,000 particles with different geometries, while retaining essential physical invariances with respect to permutation, rotation, and translation. Our proposed approach is benchmarked using a NeurIPS 2022 Datasets and Benchmarks Track publication to further demonstrate its versatility. We reveal that even when trained on minimal 8-node systems, the model can generalize in a zero-shot manner to systems as large as 4096 nodes without retraining. Our work challenges the dominance of iterative gradient-descent-based optimization algorithms for training neural network models for physical systems.
Authors: Marcel Mateos Salles, Praney Goyal, Pradyut Sekhsaria, Hai Huang, Randall Balestriero
Abstract: Large Language Models (LLMs) are commonly finetuned for a variety of use cases and domains. A common approach is to leverage Low-Rank Adaptation (LoRA) -- known to provide strong performance at low resource costs. In this study, we demonstrate that LoRA actually opens the door to short-cut vulnerabilities -- and the more resource efficient is the LoRA setup, the more vulnerable will be the finetuned model to aggressive attacks. To measure that vulnerability, we introduce Seamless Spurious Token Injection (SSTI), where we find that LoRA exclusively focuses on even just a single token that is spuriously correlated with downstream labels. In short, injection of that spurious token during finetuning ensure that the model's prediction at test-time can be manipulated on-demand. We conducted experiments across model families and datasets to evaluate the impact of SSTI during LoRA finetuning while providing possible mitigations. Our experiments conclude that none of the existing checkers and preprocessors can sanitize a dataset raising new concerns for data quality and AI safety.
Authors: Dongseok Lee, Jimyung Hong, Dongyoung Kim, Jaehyung Kim
Abstract: Although LLMs have achieved remarkable performance, the inherent stochasticity of their reasoning process and varying conclusions present significant challenges. Majority voting or Best-of-N with external verification models has been explored to find the most promising solution among multiple LLM outputs. However, these approaches have certain limitations, such as limited applicability or the cost of an additional training step. To address this problem, we propose a novel and effective framework that Recycles Few-shot examples to verify LLM outputs (ReFeri). Our key idea is to additionally utilize the given few-shot examples to evaluate the candidate outputs of the target query, not only using them to generate outputs as the conventional few-shot prompting setup. Specifically, ReFeri evaluates the generated outputs by combining two different scores, designed motivated from Bayes' rule, and subsequently selects the candidate that is both confidently determined and contextually coherent through a few additional LLM inferences. Experiments with three different LLMs and across seven diverse tasks demonstrate that our framework significantly improves the accuracy of LLMs-achieving an average gain of 4.8%-through effective response selection, without additional training.
Authors: Chenghan Li, Mingchen Li, Yipu Liao, Ruisheng Diao
Abstract: Research on long-term time series prediction has primarily relied on Transformer and MLP models, while the potential of convolutional networks in this domain remains underexplored. To address this, we propose a novel multi-scale time series reshape module that effectively captures cross-period patch interactions and variable dependencies. Building on this, we develop MS-DFTVNet, the multi-scale 3D deformable convolutional framework tailored for long-term forecasting. Moreover, to handle the inherently uneven distribution of temporal features, we introduce a context-aware dynamic deformable convolution mechanism, which further enhances the model's ability to capture complex temporal patterns. Extensive experiments demonstrate that MS-DFTVNet not only significantly outperforms strong baselines but also achieves an average improvement of about 7.5% across six public datasets, setting new state-of-the-art results.
Authors: Chen Wang, Lai Wei, Yanzhi Zhang, Chenyang Shao, Zedong Dan, Weiran Huang, Yuzhi Zhang, Yue Wang
Abstract: Recent advances in reinforcement learning (RL) have significantly enhanced the reasoning capabilities of large language models (LLMs). Group Relative Policy Optimization (GRPO), a lightweight variant of Proximal Policy Optimization (PPO), improves efficiency but suffers from limited exploration and training instability, limiting its effectiveness on complex reasoning tasks. To address these challenges, we introduce EFRame, an Exploration-Filter-Replay framework that augments GRPO across three dimensions: additional rollouts enable deeper and more targeted exploration, online filtering removes low-quality samples to stabilize gradients and accelerate training, and experience replay amplifies rare yet informative trajectories for stable convergence. This unified framework establishes a principled training cycle that balances exploration, efficiency, and stability. Experiments on diverse reasoning benchmarks demonstrate that EFRame achieves consistent gains, including a 37.9\% relative improvement on Geometry3K over GRPO. EFRame further supports fine-grained sample categorization and precise entropy control, highlighting it as a robust solution for advancing deeper reasoning in LLMs. Our code is available at https://github.com/597358816/EFRame.
Authors: Hans Peter Lynsg{\o}e Raaschou-jensen, Constanza Fierro, Anders S{\o}gaard
Abstract: Reasoning models that produce long, hidden chains of thought, have emerged as powerful tools for reasoning-intensive and agentic tasks. However, as the time horizons at which these models can operate grow exponentially, it becomes increasingly difficult to know how much progress the model is making on a task, making it challenging for users to set appropriate expectations about completion time. By probing the internal representations of Large Language Models (LLMs), we find evidence that their reasoning progress can be quantified, with simple linear probes achieving 30\% accuracy over 10 progress classes and Mean Absolute Error (MAE) of 1.75. Rooted in this insight, we propose a two-stage fine-tuning method that trains existing reasoning models to explicitly generate progress estimates (0-100\%) during their reasoning process. We find that the predictions of our best fine-tuned language model for sequences below 16K tokens are on average 10\% from the true label.
Authors: Vaibhav Singh, Zafir Khalid, Edouard Oyallon, Eugene Belilovsky
Abstract: Distributed pre-training of large models at scale often imposes heavy memory demands on individual nodes and incurs significant intra-node communication costs. We propose a novel alternative approach that reduces the memory requirements by training small, structured subnetworks of the model on separate workers. Unlike pipelining, our method avoids inter-node activation communication and maintains bandwidth requirements that are comparable to or lower than standard data parallel communication schemes based on all-reduce. We evaluate two subnetwork construction strategies guided by the principle of ensuring uniform representation of each parameter across the distributed training setup. Our results show that the stochastic block dropping technique consistently outperforms the width-wise subnetwork construction previously explored in federated learning. We empirically attribute this superior performance to stronger gradient alignment in subnetworks that retain blocks having skip connections. Preliminary experiments highlight the promise of our approach, achieving a 20-40% reduction in memory usage without any loss in performance.
Authors: Md Hasan Shahriar, Md Mohaimin Al Barat, Harshavardhan Sundar, Ning Zhang, Naren Ramakrishnan, Y. Thomas Hou, Wenjing Lou
Abstract: Multimodal fusion (MMF) plays a critical role in the perception of autonomous driving, which primarily fuses camera and LiDAR streams for a comprehensive and efficient scene understanding. However, its strict reliance on precise temporal synchronization exposes it to new vulnerabilities. In this paper, we introduce DejaVu, an attack that exploits the in-vehicular network and induces delays across sensor streams to create subtle temporal misalignments, severely degrading downstream MMF-based perception tasks. Our comprehensive attack analysis across different models and datasets reveals the sensors' task-specific imbalanced sensitivities: object detection is overly dependent on LiDAR inputs, while object tracking is highly reliant on the camera inputs. Consequently, with a single-frame LiDAR delay, an attacker can reduce the car detection mAP by up to 88.5%, while with a three-frame camera delay, multiple object tracking accuracy (MOTA) for car drops by 73%. We further demonstrated two attack scenarios using an automotive Ethernet testbed for hardware-in-the-loop validation and the Autoware stack for end-to-end AD simulation, demonstrating the feasibility of the DejaVu attack and its severe impact, such as collisions and phantom braking.
Authors: Bojian Hou, Zhanliang Wang, Zhuoping Zhou, Boning Tong, Zexuan Wang, Jingxuan Bao, Duy Duong-Tran, Qi Long, Li Shen
Abstract: Canonical correlation analysis (CCA) is a technique for finding correlations between different data modalities and learning low-dimensional representations. As fairness becomes crucial in machine learning, fair CCA has gained attention. However, previous approaches often overlook the impact on downstream classification tasks, limiting applicability. We propose a novel fair CCA method for fair representation learning, ensuring the projected features are independent of sensitive attributes, thus enhancing fairness without compromising accuracy. We validate our method on synthetic data and real-world data from the Alzheimer's Disease Neuroimaging Initiative (ADNI), demonstrating its ability to maintain high correlation analysis performance while improving fairness in classification tasks. Our work enables fair machine learning in neuroimaging studies where unbiased analysis is essential. Code is available in https://github.com/ZhanliangAaronWang/FR-CCA-ADNI.
Authors: Vladimir Bogachev, Vladimir Aletov, Alexander Molozhavenko, Denis Bobkov, Vera Soboleva, Aibek Alanov, Maxim Rakhuba
Abstract: This work presents a novel, fully Riemannian framework for Low-Rank Adaptation (LoRA) that geometrically treats low-rank adapters by optimizing them directly on the fixed-rank manifold. This formulation eliminates the parametrization ambiguity present in standard Euclidean optimizers. Our framework integrates three key components to achieve this: (1) we derive Riemannion, a new Riemannian optimizer on the fixed-rank matrix manifold that generalizes the recently proposed Muon optimizer; (2) we develop a Riemannian gradient-informed LoRA initialization, and (3) we provide an efficient implementation without prominent overhead that uses automatic differentiation to compute arising geometric operations while adhering to best practices in numerical linear algebra. Comprehensive experimental results on both LLM and diffusion model architectures demonstrate that our approach yields consistent and noticeable improvements in convergence speed and final task performance over both standard LoRA and its state-of-the-art modifications.
Authors: Anushka Tiwari, Sayantan Pal, Rohini K. Srihari, Kaiyi Ji
Abstract: Prompt-based continual learning (CL) provides a parameter-efficient approach for adapting large language models (LLMs) across task sequences. However, most existing methods rely on task-aware inference and maintain a growing set of task-specific prompts, which introduces two major challenges: (1) severe performance degradation on earlier tasks under task-agnostic inference, and (2) limited scalability due to prompt memory accumulation as task sequences grow. In this paper, we present GRID, a unified framework designed to address these challenges. GRID incorporates a decoding mechanism that enhances backward transfer by leveraging representative inputs, automatic task identification, and constrained decoding. Furthermore, it employs a gradient-guided prompt selection strategy to compress less informative prompts into a single aggregated representation, ensuring scalable and memory-efficient continual learning. Extensive experiments on long-sequence and negative transfer benchmarks show that GRID improves average accuracy and backward transfer, achieves competitive forward transfer, and substantially reduces prompt memory usage.
Authors: Yuqi Pan, Yongqi An, Zheng Li, Yuhong Chou, Ruijie Zhu, Xiaohui Wang, Mingxuan Wang, Jinqiao Wang, Guoqi Li
Abstract: The Transformer architecture, despite its widespread success, struggles with long-context scenarios due to quadratic computation and linear memory growth. While various linear attention variants mitigate these efficiency constraints by compressing context into fixed-size states, they often degrade performance in tasks such as in-context retrieval and reasoning. To address this limitation and achieve more effective context compression, we propose two key innovations. First, we introduce a row-sparse update formulation for linear attention by conceptualizing state updating as information classification. This enables sparse state updates via softmax-based top-$k$ hard classification, thereby extending receptive fields and reducing inter-class interference. Second, we present Sparse State Expansion (SSE) within the sparse framework, which expands the contextual state into multiple partitions, effectively decoupling parameter size from state capacity while maintaining the sparse classification paradigm. Supported by efficient parallelized implementations, our design achieves effective classification and highly discriminative state representations. We extensively validate SSE in both pure linear and hybrid (SSE-H) architectures across language modeling, in-context retrieval, and mathematical reasoning benchmarks. SSE demonstrates strong retrieval performance and scales favorably with state size. Moreover, after reinforcement learning (RL) training, our 2B SSE-H model achieves state-of-the-art mathematical reasoning performance among small reasoning models, scoring 64.5 on AIME24 and 50.2 on AIME25, significantly outperforming similarly sized open-source Transformers. These results highlight SSE as a promising and efficient architecture for long-context modeling.
Authors: Jiale Chen, Yalda Shabanzadeh, Elvir Crn\v{c}evi\'c, Torsten Hoefler, Dan Alistarh
Abstract: Quantizing the weights of large language models (LLMs) from 16-bit to lower bitwidth is the de facto approach to deploy massive transformers onto more affordable accelerators. While GPTQ emerged as one of the standard methods for one-shot post-training quantization at LLM scale, its inner workings are described as a sequence of ad-hoc algebraic updates that obscure geometric meaning or worst-case guarantees. In this work, we show that, when executed back-to-front (from the last to first dimension) for a linear layer, GPTQ is mathematically identical to Babai's nearest plane algorithm for the classical closest vector problem (CVP) on a lattice defined by the Hessian matrix of the layer's inputs. This equivalence is based on a sophisticated mathematical argument, and has two analytical consequences: first, the GPTQ error propagation step gains an intuitive geometric interpretation; second, GPTQ inherits the error upper bound of Babai's algorithm under the assumption that no weights are clipped. Leveraging this bound, we design post-training quantization methods that avoid clipping, and outperform the original GPTQ. In addition, we provide efficient GPU inference kernels for the resulting representation. Taken together, these results place GPTQ on a firm theoretical footing and open the door to importing decades of progress in lattice algorithms towards the design of future quantization algorithms for billion-parameter models.
Authors: Hongbo Li, Lingjie Duan, Yingbin Liang
Abstract: The transformer architecture, which processes sequences of input tokens to produce outputs for query tokens, has revolutionized numerous areas of machine learning. A defining feature of transformers is their ability to perform previously unseen tasks using task specific prompts without updating parameters, a phenomenon known as in-context learning (ICL). Recent research has actively explored the training dynamics behind ICL, with much of the focus on relatively simple tasks such as linear regression and binary classification. To advance the theoretical understanding of ICL, this paper investigates more complex nonlinear regression tasks, aiming to uncover how transformers acquire in-context learning capabilities in these settings. We analyze the stage-wise dynamics of attention during training: attention scores between a query token and its target features grow rapidly in the early phase, then gradually converge to one, while attention to irrelevant features decays more slowly and exhibits oscillatory behavior. Our analysis introduces new proof techniques that explicitly characterize how the nature of general non-degenerate $L$-Lipschitz task functions affects attention weights. Specifically, we identify that the Lipschitz constant $L$ of nonlinear function classes as a key factor governing the convergence dynamics of transformers in ICL. Leveraging these insights, for two distinct regimes depending on whether $L$ is below or above a threshold, we derive different time bounds to guarantee near-zero prediction error. Notably, despite the convergence time depending on the underlying task functions, we prove that query tokens consistently attend to prompt tokens with highly relevant features at convergence, demonstrating the ICL capability of transformers for unseen functions.
Authors: Jakob Snel, Seong Joon Oh
Abstract: Hallucination, the generation of untruthful content, is one of the major concerns regarding foundational models. Detecting hallucinations at the token level is vital for real-time filtering and targeted correction, yet the variation of hallucination signals within token sequences is not fully understood. Leveraging the RAGTruth corpus with token-level annotations and reproduced logits, we analyse how these signals depend on a token's position within hallucinated spans, contributing to an improved understanding of token-level hallucination. Our results show that the first hallucinated token carries a stronger signal and is more detectable than conditional tokens. We release our analysis framework, along with code for logit reproduction and metric computation at https://github.com/jakobsnl/RAGTruth\_Xtended.
Authors: Yahya Alkhatib, Wee Peng Tay
Abstract: The increasing demand for data privacy has made machine unlearning (MU) essential for removing the influence of specific training samples from machine learning models while preserving performance on retained data. However, most existing MU methods lack rigorous statistical guarantees or rely on heuristic metrics such as accuracy. To overcome these limitations, we introduce a new definition for MU based on conformal prediction (CP), providing statistically sound, uncertainty-aware guarantees without the need for the concept of naive retraining. We formalize the proposed conformal criteria that quantify how often forgotten samples are excluded from CP sets, and propose empirical metrics to measure the effectiveness of unlearning. We further present a practical unlearning method designed to optimize these conformal metrics. Extensive experiments across diverse forgetting scenarios, datasets and models demonstrate the efficacy of our approach in removing targeted data.
Authors: Fernando Martinez, Tao Li, Yingdong Lu, Juntao Chen
Abstract: Deep Q-learning jointly learns representations and values within monolithic networks, promising beneficial co-adaptation between features and value estimates. Although this architecture has attained substantial success, the coupling between representation and value learning creates instability as representations must constantly adapt to non-stationary value targets, while value estimates depend on these shifting representations. This is compounded by high variance in bootstrapped targets, which causes bias in value estimation in off-policy methods. We introduce Stackelberg Coupled Representation and Reinforcement Learning (SCORER), a framework for value-based RL that views representation and Q-learning as two strategic agents in a hierarchical game. SCORER models the Q-function as the leader, which commits to its strategy by updating less frequently, while the perception network (encoder) acts as the follower, adapting more frequently to learn representations that minimize Bellman error variance given the leader's committed strategy. Through this division of labor, the Q-function minimizes MSBE while perception minimizes its variance, thereby reducing bias accordingly, with asymmetric updates allowing stable co-adaptation, unlike simultaneous parameter updates in monolithic solutions. Our proposed SCORER framework leads to a bi-level optimization problem whose solution is approximated by a two-timescale algorithm that creates an asymmetric learning dynamic between the two players. Extensive experiments on DQN and its variants demonstrate that gains stem from algorithmic insight rather than model complexity.
Authors: Vincent Perreault, Katsumi Inoue, Richard Labib, Alain Hertz
Abstract: Traditional neural networks have an impressive classification performance, but what they learn cannot be inspected, verified or extracted. Neural Logic Networks on the other hand have an interpretable structure that enables them to learn a logical mechanism relating the inputs and outputs with AND and OR operations. We generalize these networks with NOT operations and biases that take into account unobserved data and develop a rigorous logical and probabilistic modeling in terms of concept combinations to motivate their use. We also propose a novel factorized IF-THEN rule structure for the model as well as a modified learning algorithm. Our method improves the state-of-the-art in Boolean networks discovery and is able to learn relevant, interpretable rules in tabular classification, notably on examples from the medical and industrial fields where interpretability has tangible value.
Authors: Xinlei Zhang, Fan Liu, Chuanyi Zhang, Fan Cheng, Yuhui Zheng
Abstract: Noisy labels are inevitable in real-world scenarios. Due to the strong capacity of deep neural networks to memorize corrupted labels, these noisy labels can cause significant performance degradation. Existing research on mitigating the negative effects of noisy labels has mainly focused on robust loss functions and sample selection, with comparatively limited exploration of regularization in model architecture. Inspired by the sparsity regularization used in Kolmogorov-Arnold Networks (KANs), we propose a Dynamic Connection Masking (DCM) mechanism for both Multi-Layer Perceptron Networks (MLPs) and KANs to enhance the robustness of classifiers against noisy labels. The mechanism can adaptively mask less important edges during training by evaluating their information-carrying capacity. Through theoretical analysis, we demonstrate its efficiency in reducing gradient error. Our approach can be seamlessly integrated into various noise-robust training methods to build more robust deep networks, including robust loss functions, sample selection strategies, and regularization techniques. Extensive experiments on both synthetic and real-world benchmarks demonstrate that our method consistently outperforms state-of-the-art (SOTA) approaches. Furthermore, we are also the first to investigate KANs as classifiers against noisy labels, revealing their superior noise robustness over MLPs in real-world noisy scenarios. Our code will soon be publicly available.
Authors: Thanh Nguyen, Chang D. Yoo
Abstract: Diffusion Q-Learning (DQL) has established diffusion policies as a high-performing paradigm for offline reinforcement learning, but its reliance on multi-step denoising for action generation renders both training and inference slow and fragile. Existing efforts to accelerate DQL toward one-step denoising typically rely on auxiliary modules or policy distillation, sacrificing either simplicity or performance. It remains unclear whether a one-step policy can be trained directly without such trade-offs. To this end, we introduce One-Step Flow Q-Learning (OFQL), a novel framework that enables effective one-step action generation during both training and inference, without auxiliary modules or distillation. OFQL reformulates the DQL policy within the Flow Matching (FM) paradigm but departs from conventional FM by learning an average velocity field that directly supports accurate one-step action generation. This design removes the need for multi-step denoising and backpropagation-through-time updates, resulting in substantially faster and more robust learning. Extensive experiments on the D4RL benchmark show that OFQL, despite generating actions in a single step, not only significantly reduces computation during both training and inference but also outperforms multi-step DQL by a large margin. Furthermore, OFQL surpasses all other baselines, achieving state-of-the-art performance in D4RL.
Authors: Sanggeon Yun, Raheeb Hassan, Ryozo Masukawa, Nathaniel D. Bastian, Mohsen Imani
Abstract: LLM-generated reasoning graphs, referred to as mission-specific graphs (MSGs), are increasingly used for video anomaly detection (VAD) and recognition (VAR). These MSGs are novel artifacts: they often exhibit skewed connectivity and lack large-scale datasets for pre-training, which makes existing graph structure refinement (GSR) methods ineffective. To address this challenge, we propose HDC-constrained Graph Structure Refinement (HDC-GSR), a paradigm that leverages hyperdimensional computing (HDC) to optimize decodable graph representations without relying on structural-distribution learning. Building on this paradigm, we introduce MissionHD, an HDC framework that encodes graphs with constrained graph-neural operations, aligns them directly with downstream task loss, and decodes refined structures. Experiments on VAD/VAR benchmarks demonstrate that MissionHD-refined graphs consistently improve performance, establishing HDC-GSR as an effective pre-processing step for structured reasoning in video anomaly tasks.
Authors: Syomantak Chaudhuri, Jerry Li, Thomas A. Courtade
Abstract: We study the problem of robust estimation under heterogeneous corruption rates, where each sample may be independently corrupted with a known but non-identical probability. This setting arises naturally in distributed and federated learning, crowdsourcing, and sensor networks, yet existing robust estimators typically assume uniform or worst-case corruption, ignoring structural heterogeneity. For mean estimation for multivariate bounded distributions and univariate gaussian distributions, we give tight minimax rates for all heterogeneous corruption patterns. For multivariate gaussian mean estimation and linear regression, we establish the minimax rate for squared error up to a factor of $\sqrt{d}$, where $d$ is the dimension. Roughly, our findings suggest that samples beyond a certain corruption threshold may be discarded by the optimal estimators -- this threshold is determined by the empirical distribution of the corruption rates given.
Authors: Luca Zhou, Daniele Solombrino, Donato Crisostomi, Maria Sofia Bucarelli, Giuseppe Alessio D'Inverno, Fabrizio Silvestri, Emanuele Rodol\`a
Abstract: Task arithmetic has emerged as a simple yet powerful technique for model merging, enabling the combination of multiple finetuned models into one. Despite its empirical success, a clear theoretical explanation of why and when it works is lacking. This paper provides a rigorous theoretical foundation for task arithmetic by establishing a connection between task vectors and gradients of the task losses. We show that under standard gradient descent, a task vector generated from one epoch of finetuning is exactly equivalent to the negative gradient of the loss, scaled by the learning rate. For the practical multi-epoch setting, we prove that this equivalence holds approximately, with a second-order error term that we explicitly bound for feed-forward networks. Our empirical analysis across seven vision benchmarks corroborates our theory, demonstrating that the first-epoch gradient dominates the finetuning trajectory in both norm and direction. A key implication is that merging models finetuned for only a single epoch often yields performance comparable to merging fully converged models. These findings reframe task arithmetic as a form of approximate multitask learning, providing a clear rationale for its effectiveness and highlighting the critical role of early training dynamics in model merging.
Authors: Kevin Tirta Wijaya, Michael Sun, Minghao Guo, Hans-Peter Seidel, Wojciech Matusik, Vahid Babaei
Abstract: Accurate prediction of continuous properties is essential to many scientific and engineering tasks. Although deep-learning regressors excel with abundant labels, their accuracy deteriorates in data-scarce regimes. We introduce RankRefine, a model-agnostic, plug-and-play post hoc method that refines regression with expert knowledge coming from pairwise rankings. Given a query item and a small reference set with known properties, RankRefine combines the base regressor's output with a rank-based estimate via inverse variance weighting, requiring no retraining. In molecular property prediction task, RankRefine achieves up to 10% relative reduction in mean absolute error using only 20 pairwise comparisons obtained through a general-purpose large language model (LLM) with no finetuning. As rankings provided by human experts or general-purpose LLMs are sufficient for improving regression across diverse domains, RankRefine offers practicality and broad applicability, especially in low-data settings.
Authors: Pietro Buzzega, Riccardo Salami, Angelo Porrello, Simone Calderara
Abstract: Fine-tuning pretrained models has become a standard pathway to achieve state-of-the-art performance across a wide range of domains, leading to a proliferation of task-specific model variants. As the number of such specialized models increases, merging them into a unified model without retraining has become a critical challenge. Existing merging techniques operate at the level of individual layers, thereby overlooking the inter-layer dependencies inherent in deep networks. We show that this simplification leads to distributional mismatches, particularly in methods that rely on intermediate activations, as changes in early layers are not properly propagated to downstream layers during merging. We identify these mismatches as a form of internal covariate shift, comparable to the phenomenon encountered in the initial phases of neural networks training. To address this, we propose Chain of Merges (CoM), a layer-wise merging procedure that sequentially merges weights across layers while sequentially updating activation statistics. By explicitly accounting for inter-layer interactions, CoM mitigates covariate shift and produces a coherent merged model through a series of conditionally optimal updates. Experiments on standard benchmarks demonstrate that CoM achieves state-of-the-art performance.
Authors: Xinlu Zhang, Na Yan, Yang Su, Yansha Deng, Toktam Mahmoodi
Abstract: Federated learning (FL) for large language models (LLMs) offers a privacy-preserving scheme, enabling clients to collaboratively fine-tune locally deployed LLMs or smaller language models (SLMs) without exchanging raw data. While parameter-sharing methods in traditional FL models solves number of technical challenges, they still incur high communication overhead and struggle with adapting to heterogeneous model architectures. Federated distillation, a framework for mutual knowledge transfer via shared logits, typically offers lower communication overhead than parameter-sharing methods. However, transmitting logits from LLMs remains challenging for bandwidth-limited clients due to their high dimensionality. In this work, we focus on a federated LLM distillation with efficient communication overhead. To achieve this, we first propose an adaptive Top-k logit selection mechanism, dynamically sparsifying logits according to real-time communication conditions. Then to tackle the dimensional inconsistency introduced by the adaptive sparsification, we design an adaptive logits aggregation scheme, effectively alleviating the artificial and uninformative inputs introduced by conventional zero-padding methods. Finally, to enhance the distillation effect, we incorporate LoRA-adapted hidden-layer projection from LLM into the distillation loss, reducing the communication overhead further while providing richer representation. Experimental results demonstrate that our scheme achieves superior performance compared to baseline methods while effectively reducing communication overhead by approximately 50%.
Authors: Viacheslav Sinii, Nikita Balagansky, Gleb Gerasimov, Daniil Laptev, Yaroslav Aksenov, Vadim Kurochkin, Alexey Gorbatovski, Boris Shaposhnikov, Daniil Gavrilov
Abstract: The mechanisms by which reasoning training reshapes LLMs' internal computations remain unclear. We study lightweight steering vectors inserted into the base model's residual stream and trained with a reinforcement-learning objective. These vectors match full fine-tuning performance while preserving the interpretability of small, additive interventions. Using logit-lens readouts and path-patching analyses on two models, we find that (i) the last-layer steering vector acts like a token-substitution bias concentrated on the first generated token, consistently boosting tokens such as "To" and "Step"; (ii) the penultimate-layer vector leaves attention patterns largely intact and instead operates through the MLP and unembedding, preferentially up-weighting process words and structure symbols; and (iii) middle layers de-emphasize non-English tokens. Next, we show that a SAE isolates features associated with correct generations. We also show that steering vectors (i) transfer to other models, (ii) combine across layers when trained in isolation, and (iii) concentrate magnitude on meaningful prompt segments under adaptive token-wise scaling. Taken together, these results deepen understanding of how trained steering vectors shape computation and should inform future work in activation engineering and the study of reasoning models.
Authors: Eric Eaton, Marcel Hussing, Michael Kearns, Aaron Roth, Sikata Bela Sengupta, Jessica Sorrell
Abstract: Replication of experimental results has been a challenge faced by many scientific disciplines, including the field of machine learning. Recent work on the theory of machine learning has formalized replicability as the demand that an algorithm produce identical outcomes when executed twice on different samples from the same distribution. Provably replicable algorithms are especially interesting for reinforcement learning (RL), where algorithms are known to be unstable in practice. While replicable algorithms exist for tabular RL settings, extending these guarantees to more practical function approximation settings has remained an open problem. In this work, we make progress by developing replicable methods for linear function approximation in RL. We first introduce two efficient algorithms for replicable random design regression and uncentered covariance estimation, each of independent interest. We then leverage these tools to provide the first provably efficient replicable RL algorithms for linear Markov decision processes in both the generative model and episodic settings. Finally, we evaluate our algorithms experimentally and show how they can inspire more consistent neural policies.
Authors: Yujun Zhou, Zhenwen Liang, Haolin Liu, Wenhao Yu, Kishan Panaganti, Linfeng Song, Dian Yu, Xiangliang Zhang, Haitao Mi, Dong Yu
Abstract: Large language models (LLMs) are increasingly trained with reinforcement learning from verifiable rewards (RLVR), yet real-world deployment demands models that can self-improve without labels or external judges. Existing self-improvement approaches primarily rely on self-confirmation signals (e.g., confidence, entropy, or consistency) to generate rewards. This reliance drives models toward over-confident, majority-favored solutions, causing an entropy collapse that degrades pass@n and reasoning complexity. To address this, we propose EVOL-RL, a label-free framework that mirrors the evolutionary principle of balancing selection with variation. Concretely, EVOL-RL retains the majority-voted answer as an anchor for stability, but adds a novelty-aware reward that scores each sampled solution by how different its reasoning is from other concurrently generated responses. This majority-for-stability + novelty-for-exploration rule mirrors the variation-selection principle: selection prevents drift, while novelty prevents collapse. Evaluation results show that EVOL-RL consistently outperforms the majority-only baseline; e.g., training on label-free AIME24 lifts Qwen3-4B-Base AIME25 pass@1 from baseline's 4.6% to 16.4%, and pass@16 from 18.5% to 37.9%. EVOL-RL not only prevents in-domain diversity collapse but also improves out-of-domain generalization (from math reasoning to broader tasks, e.g., GPQA, MMLU-Pro, and BBEH). The code is available at: https://github.com/YujunZhou/EVOL-RL.
Authors: Xiaoshuang Wang, Yifan Lin, Enlu Zhou
Abstract: Motivated by many application problems, we consider Markov decision processes (MDPs) with a general loss function and unknown parameters. To mitigate the epistemic uncertainty associated with unknown parameters, we take a Bayesian approach to estimate the parameters from data and impose a coherent risk functional (with respect to the Bayesian posterior distribution) on the loss. Since this formulation usually does not satisfy the interchangeability principle, it does not admit Bellman equations and cannot be solved by approaches based on dynamic programming. Therefore, We propose a policy gradient optimization method, leveraging the dual representation of coherent risk measures and extending the envelope theorem to continuous cases. We then show the stationary analysis of the algorithm with a convergence rate of $\mathcal{O}(T^{-1/2}+r^{-1/2})$, where $T$ is the number of policy gradient iterations and $r$ is the sample size of the gradient estimator. We further extend our algorithm to an episodic setting, and establish the global convergence of the extended algorithm and provide bounds on the number of iterations needed to achieve an error bound $\mathcal{O}(\epsilon)$ in each episode.
Authors: Lianghe Shi, Meng Wu, Huijie Zhang, Zekai Zhang, Molei Tao, Qing Qu
Abstract: The widespread use of diffusion models has led to an abundance of AI-generated data, raising concerns about model collapse -- a phenomenon in which recursive iterations of training on synthetic data lead to performance degradation. Prior work primarily characterizes this collapse via variance shrinkage or distribution shift, but these perspectives miss practical manifestations of model collapse. This paper identifies a transition from generalization to memorization during model collapse in diffusion models, where models increasingly replicate training data instead of generating novel content during iterative training on synthetic samples. This transition is directly driven by the declining entropy of the synthetic training data produced in each training cycle, which serves as a clear indicator of model degradation. Motivated by this insight, we propose an entropy-based data selection strategy to mitigate the transition from generalization to memorization and alleviate model collapse. Empirical results show that our approach significantly enhances visual quality and diversity in recursive generation, effectively preventing collapse.
Authors: Thomas Savary, Fran\c{c}ois Rozet, Gilles Louppe
Abstract: Data assimilation is widely used in many disciplines such as meteorology, oceanography, and robotics to estimate the state of a dynamical system from noisy observations. In this work, we propose a lightweight and general method to perform data assimilation using diffusion models pre-trained for emulating dynamical systems. Our method builds on particle filters, a class of data assimilation algorithms, and does not require any further training. As a guiding example throughout this work, we illustrate our methodology on GenCast, a diffusion-based model that generates global ensemble weather forecasts.
Authors: Jian Xu, Qibin Zhao, John Paisley, Delu Zeng
Abstract: Deep Gaussian processes (DGPs) enable expressive hierarchical Bayesian modeling but pose substantial challenges for posterior inference, especially over inducing variables. Denoising diffusion variational inference (DDVI) addresses this by modeling the posterior as a time-reversed diffusion from a simple Gaussian prior. However, DDVI's fixed unconditional starting distribution remains far from the complex true posterior, resulting in inefficient inference trajectories and slow convergence. In this work, we propose Diffusion Bridge Variational Inference (DBVI), a principled extension of DDVI that initiates the reverse diffusion from a learnable, data-dependent initial distribution. This initialization is parameterized via an amortized neural network and progressively adapted using gradients from the ELBO objective, reducing the posterior gap and improving sample efficiency. To enable scalable amortization, we design the network to operate on the inducing inputs, which serve as structured, low-dimensional summaries of the dataset and naturally align with the inducing variables' shape. DBVI retains the mathematical elegance of DDVI, including Girsanov-based ELBOs and reverse-time SDEs,while reinterpreting the prior via a Doob-bridged diffusion process. We derive a tractable training objective under this formulation and implement DBVI for scalable inference in large-scale DGPs. Across regression, classification, and image reconstruction tasks, DBVI consistently outperforms DDVI and other variational baselines in predictive accuracy, convergence speed, and posterior quality.
Authors: Hyunwoo Kim, Junha Lee, Mincheol Choi, Jeonghwan Lee, Jaeshin Cho
Abstract: Deep learning models have become increasingly large and complex, resulting in higher memory consumption and computational demands. Consequently, model loading times and initial inference latency have increased, posing significant challenges in mobile and latency-sensitive environments where frequent model loading and unloading are required, which directly impacts user experience. While Knowledge Distillation (KD) offers a solution by compressing large teacher models into smaller student ones, it often comes at the cost of reduced performance. To address this trade-off, we propose Progressive Weight Loading (PWL), a novel technique that enables fast initial inference by first deploying a lightweight student model, then incrementally replacing its layers with those of a pre-trained teacher model. To support seamless layer substitution, we introduce a training method that not only aligns intermediate feature representations between student and teacher layers, but also improves the overall output performance of the student model. Our experiments on VGG, ResNet, and ViT architectures demonstrate that models trained with PWL maintain competitive distillation performance and gradually improve accuracy as teacher layers are loaded-matching the final accuracy of the full teacher model without compromising initial inference speed. This makes PWL particularly suited for dynamic, resource-constrained deployments where both responsiveness and performance are critical.
Authors: Haitong Ma, Ofir Nabati, Aviv Rosenberg, Bo Dai, Oran Lang, Idan Szpektor, Craig Boutilier, Na Li, Shie Mannor, Lior Shani, Guy Tenneholtz
Abstract: Reinforcement learning (RL) struggles to scale to large, combinatorial action spaces common in many real-world problems. This paper introduces a novel framework for training discrete diffusion models as highly effective policies in these complex settings. Our key innovation is an efficient online training process that ensures stable and effective policy improvement. By leveraging policy mirror descent (PMD) to define an ideal, regularized target policy distribution, we frame the policy update as a distributional matching problem, training the expressive diffusion model to replicate this stable target. This decoupled approach stabilizes learning and significantly enhances training performance. Our method achieves state-of-the-art results and superior sample efficiency across a diverse set of challenging combinatorial benchmarks, including DNA sequence generation, RL with macro-actions, and multi-agent systems. Experiments demonstrate that our diffusion policies attain superior performance compared to other baselines.
Authors: Vladimir Fanaskov, Vladislav Trifonov, Alexander Rudikov, Ekaterina Muravleva, Ivan Oseledets
Abstract: It is often possible to perform reduced order modelling by specifying linear subspace which accurately captures the dynamics of the system. This approach becomes especially appealing when linear subspace explicitly depends on parameters of the problem. A practical way to apply such a scheme is to compute subspaces for a selected set of parameters in the computationally demanding offline stage and in the online stage approximate subspace for unknown parameters by interpolation. For realistic problems the space of parameters is high dimensional, which renders classical interpolation strategies infeasible or unreliable. We propose to relax the interpolation problem to regression, introduce several loss functions suitable for subspace data, and use a neural network as an approximation to high-dimensional target function. To further simplify a learning problem we introduce redundancy: in place of predicting subspace of a given dimension we predict larger subspace. We show theoretically that this strategy decreases the complexity of the mapping for elliptic eigenproblems with constant coefficients and makes the mapping smoother for general smooth function on the Grassmann manifold. Empirical results also show that accuracy significantly improves when larger-than-needed subspaces are predicted. With the set of numerical illustrations we demonstrate that subspace regression can be useful for a range of tasks including parametric eigenproblems, deflation techniques, relaxation methods, optimal control and solution of parametric partial differential equations.
Authors: Fanding Huang, Guanbo Huang, Xiao Fan, Yi He, Xiao Liang, Xiao Chen, Qinting Jiang, Faisal Nadeem Khan, Jingyan Jiang, Zhi Wang
Abstract: A prevailing view in Reinforcement Learning for Verifiable Rewards (RLVR) interprets recent progress through the lens of an exploration-exploitation trade-off, a perspective largely shaped by token-level metrics. We re-examine this perspective, proposing that this perceived trade-off may not be a fundamental constraint but rather an artifact of the measurement level. To investigate this, we shift the analysis to the semantically rich hidden-state space, adopting Effective Rank (ER) to quantify exploration and proposing its novel first- and second-order derivatives, named Effective Rank Velocity (ERV) and Effective Rank Acceleration (ERA), to capture exploitation dynamics. Our analysis reveals that at the hidden-state level, exploration and exploitation could be decoupled (Sec. 4). This finding reveals an opportunity to enhance both capacities simultaneously. This insight motivates our method, Velocity-Exploiting Rank-Learning (VERL), the first to operationalize the principle of synergistic exploration-exploitation enhancement by directly shaping the RL advantage function. The key innovation is leveraging the theoretically stable ERA as a predictive meta-controller to create a synergistic, dual-channel incentive structure. Instead of forcing a trade-off, VERL prospectively amplifies rewards for exploration to preempt overconfidence and reinforces exploitative gains to consolidate reasoning. Experiments across diverse LLMs and reasoning benchmarks show consistent gains, including up to 21.4% absolute accuracy improvement on the challenging Gaokao 2024 dataset.
Authors: Yihang Lu, Xianwei Meng, Enhong Chen
Abstract: Neural Forecasters (NFs) are a cornerstone of Long-term Time Series Forecasting (LTSF). However, progress has been hampered by an overemphasis on architectural complexity at the expense of fundamental forecasting principles. In this work, we return to first principles to redesign the LTSF paradigm. We begin by introducing a Multiple Neural Forecasting Theorem that provides a theoretical basis for our approach. We propose Boosted Direct Output (BDO), a novel forecasting strategy that synergistically combines the advantages of both Auto-Regressive (AR) and Direct Output (DO). In addition, we stabilize the learning process by smoothly tracking the model's parameters. Extensive experiments show that these principled improvements enable a simple MLP to achieve state-of-the-art performance, outperforming recent, complex models in nearly all cases, without any specific considerations in the area. Finally, we empirically verify our theorem, establishing a dynamic performance bound and identifying promising directions for future research. The code for review is available at: .
Authors: Ayush Patnaik, Adam B Zufall, Stephen K Robinson, Xinfan Lin
Abstract: Lithium plating during fast charging is a critical degradation mechanism that accelerates capacity fade and can trigger catastrophic safety failures. Recent work has identified a distinctive dQ/dV peak above 4.0 V as a reliable signature of plating onset; however, conventional methods for computing dQ/dV rely on finite differencing with filtering, which amplifies sensor noise and introduces bias in peak location. In this paper, we propose a Gaussian Process (GP) framework for lithium plating detection by directly modeling the charge-voltage relationship Q(V) as a stochastic process with calibrated uncertainty. Leveraging the property that derivatives of GPs remain GPs, we infer dQ/dV analytically and probabilistically from the posterior, enabling robust detection without ad hoc smoothing. The framework provides three key benefits: (i) noise-aware inference with hyperparameters learned from data, (ii) closed-form derivatives with credible intervals for uncertainty quantification, and (iii) scalability to online variants suitable for embedded BMS. Experimental validation on Li-ion coin cells across a range of C-rates (0.2C-1C) and temperatures (0-40\deg C) demonstrates that the GP-based method reliably detects plating peaks under low-temperature, high-rate charging, while correctly reporting no peaks in baseline cases. The concurrence of GP-identified differential peaks, reduced charge throughput, and capacity fade measured via reference performance tests confirms the method's accuracy and robustness, establishing a practical pathway for real-time lithium plating detection.
Authors: Guanxi Lu, Hao Mark Chen, Yuto Karashima, Zhican Wang, Daichi Fujiki, Hongxiang Fan
Abstract: Diffusion-based large language models (dLLMs) are gaining attention for their inherent capacity for parallel decoding, offering a compelling alternative to autoregressive LLMs. Among various decoding strategies, blockwise semi-autoregressive (semi-AR) approaches are widely adopted due to their natural support for KV caching and their favorable accuracy-speed trade-off. However, this paper identifies two fundamental limitations in the conventional semi-AR decoding approach that applies a fixed block size: i) late decoding overhead, where the unmasking of high-confidence tokens outside the current block is unnecessarily delayed, and ii) premature decoding error, where low-confidence tokens inside the current block are committed too early, leading to incorrect tokens. This paper presents the first systematic investigation challenging the fixed block size assumption in semi-AR decoding. Through a statistical analysis of confidence dynamics during the denoising process, we identify a volatility band (VB) region during dLLM decoding, which encodes local semantic structure and can be used to guide adaptive block sizing. Leveraging these insights, we introduce AdaBlock-dLLM, a training-free, plug-and-play scheduler that adaptively aligns block boundaries with semantic steps by adjusting block size during runtime. Extensive experiments across diverse benchmarks show that AdaBlock-dLLM achieves up to 5.3% accuracy improvement under the same throughput budget. Beyond inference-time optimization, we hope our semantics-aware adaptive scheduling approach and confidence-based analysis will inspire future training strategies for dLLMs.
Authors: Ning Liu, Benjamin Grimmer
Abstract: We consider feasibility and constrained optimization problems defined over smooth and/or strongly convex sets. These notions mirror their popular function counterparts but are much less explored in the first-order optimization literature. We propose new scalable, projection-free, accelerated first-order methods in these settings. Our methods avoid linear optimization or projection oracles, only using cheap one-dimensional linesearches and normal vector computations. Despite this, we derive optimal accelerated convergence guarantees of $O(1/T)$ for strongly convex problems, $O(1/T^2)$ for smooth problems, and accelerated linear convergence given both. Our algorithms and analysis are based on novel characterizations of the Minkowski gauge of smooth and/or strongly convex sets, which may be of independent interest: although the gauge is neither smooth nor strongly convex, we show the gauge squared inherits any structure present in the set.
Authors: Mingyu Lee, Myeongjin Shin, Junseo Lee, Kabgyun Jeong
Abstract: One of the most promising applications in the era of Noisy Intermediate-Scale Quantum (NISQ) computing is quantum generative adversarial networks (QGANs), which offer significant quantum advantages over classical machine learning in various domains. However, QGANs suffer from mode collapse and lack explicit control over the features of generated outputs. To overcome these limitations, we propose InfoQGAN, a novel quantum-classical hybrid generative adversarial network that integrates the principles of InfoGAN with a QGAN architecture. Our approach employs a variational quantum circuit for data generation, a classical discriminator, and a Mutual Information Neural Estimator (MINE) to explicitly optimize the mutual information between latent codes and generated samples. Numerical simulations on synthetic 2D distributions and Iris dataset augmentation demonstrate that InfoQGAN effectively mitigates mode collapse while achieving robust feature disentanglement in the quantum generator. By leveraging these advantages, InfoQGAN not only enhances training stability but also improves data augmentation performance through controlled feature generation. These results highlight the potential of InfoQGAN as a foundational approach for advancing quantum generative modeling in the NISQ era.
Authors: Shijie Pan, Jianyu Xu, Wenjie Huang
Abstract: A novel Follow-the-Perturbed-Leader type algorithm is proposed and analyzed for solving general long-term constrained optimization problems in an online manner, where the target and constraint functions are oblivious adversarially generated and not necessarily convex. The algorithm is based on Lagrangian reformulation and innovatively integrates random perturbations and regularizations in primal and dual directions: 1). exponentially distributed random perturbations in the primal direction to handle non-convexity, and 2). strongly concave logarithmic regularizations in the dual space to handle constraint violations. Based on a proposed expected static cumulative regret, and under mild Lipschitz continuity assumption, the algorithm demonstrates the online learnability, achieving the first sublinear cumulative regret complexity for this class of problems. The proposed algorithm is applied to tackle a long-term (extreme value) constrained river pollutant source identification problem, validate the theoretical results and exhibit superior performance compared to existing methods.
Authors: Zitong Lu, Yile Wang, Julie D. Golomb
Abstract: Despite advancements in artificial intelligence, object recognition models still lag behind in emulating visual information processing in human brains. Recent studies have highlighted the potential of using neural data to mimic brain processing; however, these often rely on invasive neural recordings from non-human subjects, leaving a critical gap in understanding human visual perception. Addressing this gap, we present, 'Re(presentational)Al(ignment)net', a vision model aligned with human brain activity based on non-invasive EEG, demonstrating a significantly higher similarity to human brain representations. Our innovative image-to-brain multi-layer encoding framework advances human neural alignment by optimizing multiple model layers and enabling the model to efficiently learn and mimic the human brain's visual representational patterns across object categories and different modalities. Our findings suggest that ReAlnets better align artificial neural networks with human brain representations, making it more similar to human brain processing than traditional computer vision models, which takes an important step toward bridging the gap between artificial and human vision and achieving more brain-like artificial intelligence systems.
Authors: Mainak Ghosh, Michael E. Rose, Sebastian Erhardt, Erik Buunk, Dietmar Harhoff
Abstract: PaECTER is an open-source document-level encoder specific for patents. We fine-tune BERT for Patents with examiner-added citation information to generate numerical representations for patent documents. PaECTER performs better in similarity tasks than current state-of-the-art models used in the patent domain. More specifically, our model outperforms the patent specific pre-trained language model (BERT for Patents) and general-purpose text embedding models (e.g., E5, GTE, and BGE) on our patent citation prediction test dataset on different rank evaluation metrics. PaECTER predicts at least one most similar patent at a rank of 1.32 on average when compared against 25 irrelevant patents. Numerical representations generated by PaECTER from patent text can be used for downstream tasks such as classification, tracing knowledge flows, or semantic similarity search. Semantic similarity search is especially relevant in the context of prior art search for both inventors and patent examiners.
Authors: Nicolas Yax, Pierre-Yves Oudeyer, Stefano Palminteri
Abstract: This paper introduces PhyloLM, a method adapting phylogenetic algorithms to Large Language Models (LLMs) to explore whether and how they relate to each other and to predict their performance characteristics. Our method calculates a phylogenetic distance metric based on the similarity of LLMs' output. The resulting metric is then used to construct dendrograms, which satisfactorily capture known relationships across a set of 111 open-source and 45 closed models. Furthermore, our phylogenetic distance predicts performance in standard benchmarks, thus demonstrating its functional validity and paving the way for a time and cost-effective estimation of LLM capabilities. To sum up, by translating population genetic concepts to machine learning, we propose and validate a tool to evaluate LLM development, relationships and capabilities, even in the absence of transparent training information.
Authors: Peiyu Yang, Naveed Akhtar, Jiantong Jiang, Ajmal Mian
Abstract: Attribution methods compute importance scores for input features to explain model predictions. However, assessing the faithfulness of these methods remains challenging due to the absence of attribution ground truth to model predictions. In this work, we first identify a set of fidelity criteria that reliable benchmarks for attribution methods are expected to fulfill, thereby facilitating a systematic assessment of attribution benchmarks. Next, we introduce a Backdoor-based eXplainable AI benchmark (BackX) that adheres to the desired fidelity criteria. We theoretically establish the superiority of our approach over the existing benchmarks for well-founded attribution evaluation. With extensive analysis, we further establish a standardized evaluation setup that mitigates confounding factors such as post-processing techniques and explained predictions, thereby ensuring a fair and consistent benchmarking. This setup is ultimately employed for a comprehensive comparison of existing methods using BackX. Finally, our analysis also offers insights into defending against neural Trojans by utilizing the attributions.
Authors: Roy Maor Lotan, Inbal Talgam-Cohen, Yaniv Romano
Abstract: Auctions are key for maximizing sellers' revenue and ensuring truthful bidding among buyers. Recently, an approach known as differentiable economics based on machine learning (ML) has shown promise in learning powerful auction mechanisms for multiple items and participants. However, this approach has no guarantee of strategy-proofness at test time. Strategy-proofness is crucial as it ensures that buyers are incentivized to bid their true valuations, leading to optimal and fair auction outcomes without the risk of manipulation. In this work, we propose a formulation of statistical strategy-proofness for auction mechanisms. Specifically, we offer a method that bounds the regret -- quantifying deviation from truthful bidding -- below a pre-specified level with high probability. Building upon conformal prediction techniques, we develop an auction acceptance rule that leverages regret predictions to guarantee that the data-driven auction mechanism meets the statistical strategy-proofness requirement with high probability. Our method -- Statistically Truthful Auctions via Acceptance Rule (STAR) -- represents a practical middle-ground between two extremes: enforcing truthfulness -- zero-regret -- at the cost of significant revenue loss, and naively using ML to construct auctions with the hope of attaining low regret, with no test-time guarantees.
Authors: Harsh Chaudhari, Giorgio Severi, John Abascal, Anshuman Suri, Matthew Jagielski, Christopher A. Choquette-Choo, Milad Nasr, Cristina Nita-Rotaru, Alina Oprea
Abstract: Retrieval Augmented Generation (RAG) expands the capabilities of modern large language models (LLMs), by anchoring, adapting, and personalizing their responses to the most relevant knowledge sources. It is particularly useful in chatbot applications, allowing developers to customize LLM output without expensive retraining. Despite their significant utility in various applications, RAG systems present new security risks. In this work, we propose a novel attack that allows an adversary to inject a single malicious document into a RAG system's knowledge base, and mount a backdoor poisoning attack. We design Phantom, a general two-stage optimization framework against RAG systems, that crafts a malicious poisoned document leading to an integrity violation in the model's output. First, the document is constructed to be retrieved only when a specific naturally occurring trigger sequence of tokens appears in the victim's queries. Second, the document is further optimized with crafted adversarial text that induces various adversarial objectives on the LLM output, including refusal to answer, reputation damage, privacy violations, and harmful behaviors.We demonstrate our attacks on multiple open-source LLM architectures, including Gemma, Vicuna, and Llama, and show that they transfer to closed-source models such as GPT-3.5 Turbo and GPT-4. Finally, we successfully demonstrate our attack on an end-to-end black-box production RAG system: NVIDIA's "Chat with RTX''.
Authors: Samita Bai, Sidra Nasir, Rizwan Ahmed Khan, Alexandre Meyer, Hubert Konik
Abstract: Breast cancer (BC) stands as one of the most common malignancies affecting women worldwide, necessitating advancements in diagnostic methodologies for better clinical outcomes. This article provides a comprehensive exploration of the application of Explainable Artificial Intelligence (XAI) techniques in the detection and diagnosis of breast cancer. As Artificial Intelligence (AI) technologies continue to permeate the healthcare sector, particularly in oncology, the need for transparent and interpretable models becomes imperative to enhance clinical decision-making and patient care. This review discusses the integration of various XAI approaches, such as SHAP, LIME, Grad-CAM, and others, with machine learning and deep learning models utilized in breast cancer detection and classification. By investigating the modalities of breast cancer datasets, including mammograms, ultrasounds and their processing with AI, the paper highlights how XAI can lead to more accurate diagnoses and personalized treatment plans. It also examines the challenges in implementing these techniques and the importance of developing standardized metrics for evaluating XAI's effectiveness in clinical settings. Through detailed analysis and discussion, this article aims to highlight the potential of XAI in bridging the gap between complex AI models and practical healthcare applications, thereby fostering trust and understanding among medical professionals and improving patient outcomes.
Authors: Evan Rose, Hidde Lycklama, Harsh Chaudhari, Niklas Britz, Anwar Hithnawi, Alina Oprea
Abstract: Privacy-preserving machine learning (PPML) systems enable multiple data owners to collaboratively train models without revealing their raw, sensitive data by leveraging cryptographic protocols such as secure multi-party computation (MPC). While PPML offers strong privacy guarantees, it also introduces new attack surfaces: malicious data owners can inject poisoned data into the training process without being detected, thus undermining the integrity of the learned model. Although recent defenses, such as private input validation within MPC, can mitigate some specific poisoning strategies, they remain insufficient, particularly in preventing stealthy or distributed attacks. As the robustness of PPML remains an open challenge, strengthening trust in these systems increasingly necessitates post-hoc auditing mechanisms that instill accountability. In this paper we present UTrace, a framework for user-level traceback in PPML that attributes integrity failures to responsible data owners without compromising the privacy guarantees of MPC. UTrace encapsulates two mechanisms: a gradient similarity method that identifies suspicious update patterns linked to poisoning, and a user-level unlearning technique that quantifies each user's marginal influence on model behavior. Together, these methods allow UTrace to attribute model misbehavior to specific users with high precision. We implement UTrace within an MPC-compatible training and auditing pipeline and evaluate its effectiveness on four datasets spanning vision, text, and malware. Across ten canonical poisoning attacks, UTrace consistently achieves high detection accuracy with low false positive rates.
Authors: Shivam Kumar, Yun Yang, Lizhen Lin
Abstract: In this work, we explore the theoretical properties of conditional deep generative models under the statistical framework of distribution regression where the response variable lies in a high-dimensional ambient space but concentrates around a potentially lower-dimensional manifold. More specifically, we study the large-sample properties of a likelihood-based approach for estimating these models. Our results lead to the convergence rate of a sieve maximum likelihood estimator (MLE) for estimating the conditional distribution (and its devolved counterpart) of the response given predictors in the Hellinger (Wasserstein) metric. Our rates depend solely on the intrinsic dimension and smoothness of the true conditional distribution. These findings provide an explanation of why conditional deep generative models can circumvent the curse of dimensionality from the perspective of statistical foundations and demonstrate that they can learn a broader class of nearly singular conditional distributions. Our analysis also emphasizes the importance of introducing a small noise perturbation to the data when they are supported sufficiently close to a manifold. Finally, in our numerical studies, we demonstrate the effective implementation of the proposed approach using both synthetic and real-world datasets, which also provide complementary validation to our theoretical findings.
Authors: Jin-Hong Du, Kathryn Roeder, Larry Wasserman
Abstract: Data integration methods aim to extract low-dimensional embeddings from high-dimensional outcomes to remove unwanted variations, such as batch effects and unmeasured covariates, across heterogeneous datasets. However, multiple hypothesis testing after integration can be biased due to data-dependent processes. We introduce a robust post-integrated inference (PII) method that adjusts for latent heterogeneity using control outcomes. Leveraging causal interpretations, we derive nonparametric identifiability of the direct effects using negative control outcomes. By utilizing surrogate control outcomes as an extension of negative control outcomes, we develop semiparametric inference on projected direct effect estimands, accounting for hidden mediators, confounders, and moderators. These estimands remain statistically meaningful under model misspecifications and with error-prone embeddings. We provide bias quantifications and finite-sample linear expansions with uniform concentration bounds. The proposed doubly robust estimators are consistent and efficient under minimal assumptions and potential misspecification, facilitating data-adaptive estimation with machine learning algorithms. Our proposal is evaluated with random forests through simulations and analysis of single-cell CRISPR perturbed datasets with potential unmeasured confounders.
Authors: Maximilian Augustin, Syed Shakib Sarwar, Mostafa Elhoushi, Sai Qian Zhang, Yuecheng Li, Barbara De Salvo
Abstract: Following their success in natural language processing (NLP), there has been a shift towards transformer models in computer vision. While transformers perform well and offer promising multi-tasking performance, due to their high compute requirements, many resource-constrained applications still rely on convolutional or hybrid models that combine the benefits of convolution and attention layers and achieve the best results in the sub 100M parameter range. Simultaneously, task adaptation techniques that allow for the use of one shared transformer backbone for multiple downstream tasks, resulting in great storage savings at negligible cost in performance, have not yet been adopted for hybrid transformers. In this work, we investigate how to achieve the best task-adaptation performance and introduce PETAH: Parameter Efficient Task Adaptation for Hybrid Transformers. We further combine PETAH adaptation with pruning to achieve highly performant and storage friendly models for multi-tasking. In our extensive evaluation on classification and other vision tasks, we demonstrate that our PETAH-adapted hybrid models outperform established task-adaptation techniques for ViTs while requiring fewer parameters and being more efficient on mobile hardware.
Authors: Weiyi Gong, Tao Sun, Hexin Bai, Jeng-Yuan Tsai, Haibin Ling, Qimin Yan
Abstract: Predicting electronic band structures from crystal structures is crucial for understanding structure-property correlations in materials science. First-principles approaches are accurate but computationally intensive. Recent years, machine learning (ML) has been extensively applied to this field, while existing ML models predominantly focus on band gap predictions or indirect band structure estimation via solving predicted Hamiltonians. An end-to-end model to predict band structure accurately and efficiently is still lacking. Here, we introduce a graph Transformer-based end-to-end approach that directly predicts band structures from crystal structures with high accuracy. Our method leverages the continuity of the k-path and treat continuous bands as a sequence. We demonstrate that our model not only provides accurate band structure predictions but also can derive other properties (such as band gap, band center, and band dispersion) with high accuracy. We verify the model performance on large and diverse datasets.
Authors: Fatemeh Nazarieh, Zhenhua Feng, Diptesh Kanojia, Muhammad Awais, Josef Kittler
Abstract: Audio-driven talking face generation is a challenging task in digital communication. Despite significant progress in the area, most existing methods concentrate on audio-lip synchronization, often overlooking aspects such as visual quality, customization, and generalization that are crucial to producing realistic talking faces. To address these limitations, we introduce a novel, customizable one-shot audio-driven talking face generation framework, named PortraitTalk. Our proposed method utilizes a latent diffusion framework consisting of two main components: IdentityNet and AnimateNet. IdentityNet is designed to preserve identity features consistently across the generated video frames, while AnimateNet aims to enhance temporal coherence and motion consistency. This framework also integrates an audio input with the reference images, thereby reducing the reliance on reference-style videos prevalent in existing approaches. A key innovation of PortraitTalk is the incorporation of text prompts through decoupled cross-attention mechanisms, which significantly expands creative control over the generated videos. Through extensive experiments, including a newly developed evaluation metric, our model demonstrates superior performance over the state-of-the-art methods, setting a new standard for the generation of customizable realistic talking faces suitable for real-world applications.
Authors: Yuchen Lu, Kun Fang
Abstract: Quantum relative entropy, a quantum generalization of the renowned Kullback-Leibler divergence, serves as a fundamental measure of the distinguishability between quantum states and plays a pivotal role in quantum information science. Despite its importance, efficiently estimating quantum relative entropy between two quantum states on quantum computers remains a significant challenge. In this work, we propose the first quantum algorithm for directly estimating quantum relative entropy and Petz Renyi divergence from two unknown quantum states on quantum computers, addressing open problems highlighted in [Phys. Rev. A 109, 032431 (2024)] and [IEEE Trans. Inf. Theory 70, 5653-5680 (2024)]. Notably, the circuit size of our algorithm is at most $2n+1$ with $n$ being the number of qubits in the quantum states and it is directly applicable to distributed scenarios, where quantum states to be compared are hosted on cross-platform quantum computers. We prove that our loss function is operator-convex, ensuring that any local minimum is also a global minimum. We validate the effectiveness of our method through numerical experiments and observe the absence of the barren plateau phenomenon. As an application, we employ our algorithm to investigate the superadditivity of quantum channel capacity. Numerical simulations reveal new examples of qubit channels exhibiting strict superadditivity of coherent information, highlighting the potential of quantum machine learning to address quantum-native problems.
Authors: Zekun Xi, Wenbiao Yin, Jizhan Fang, Jialong Wu, Runnan Fang, Yong Jiang, Pengjun Xie, Fei Huang, Huajun Chen, Ningyu Zhang
Abstract: Machine writing with large language models often relies on retrieval-augmented generation. However, these approaches remain confined within the boundaries of the model's predefined scope, limiting the generation of content with rich information. Specifically, vanilla-retrieved information tends to lack depth, novelty, and suffers from redundancy, which negatively impacts the quality of generated articles, leading to shallow, unoriginal, and repetitive outputs. To address these issues, we propose OmniThink, a slow-thinking machine writing framework that emulates the human-like process of iterative expansion and reflection. The core idea behind OmniThink is to simulate the cognitive behavior of learners as they slowly deepen their knowledge of the topics. Experimental results demonstrate that OmniThink improves the knowledge density of generated articles without compromising metrics such as coherence and depth. Human evaluations and expert feedback further highlight the potential of OmniThink to address real-world challenges in the generation of long-form articles. Code is available at https://github.com/zjunlp/OmniThink.
Authors: Berta Ros, Mireia Olives-Verger, Caterina Fuses, Josep M Canals, Jordi Soriano, Jordi Abante
Abstract: Calcium imaging allows for the parallel measurement of large neuronal populations in a spatially resolved and minimally invasive manner, and has become a gold-standard for neuronal functionality. While deep generative models have been successfully applied to study the activity of neuronal ensembles, their potential for learning single-neuron representations from calcium imaging fluorescence traces remains largely unexplored, and batch effects remain an important hurdle. To address this, we explore supervised variational autoencoder architectures that learn compact representations of individual neurons from fluorescent traces without relying on spike inference algorithms. We find that this approach outperforms state-of-the-art models, preserving biological variability while mitigating batch effects. Across simulated and experimental datasets, this framework enables robust visualization, clustering, and interpretation of single-neuron dynamics.
Authors: Alexandros E. Tzikas, Mykel J. Kochenderfer
Abstract: We tackle the problem of system identification, where we select inputs, observe the corresponding outputs from the true system, and optimize the parameters of our model to best fit the data. We propose a practical and computationally tractable methodology that is compatible with any system and parametric family of models. Our approach only requires input-output data from the system and first-order information of the model with respect to the parameters. Our approach consists of two modules. First, we formulate the problem of system identification from a Bayesian perspective and use a linear Gaussian model approximation to iteratively optimize the model's parameters. In each iteration, we propose to use the input-output data to tune the covariance of the linear Gaussian model. This online covariance calibration stabilizes fitting and signals model inaccuracy. Secondly, we define a Gaussian-based uncertainty measure for the model parameters, which we can then minimize with respect to the next selected input. We test our method with linear and nonlinear dynamics.
Authors: Xiaoyang Liu, Kangjie Bao, Jiashuo Zhang, Yunqi Liu, Yu Chen, Yuntian Liu, Yang Jiao, Tao Luo
Abstract: Autoformalization, the automatic translation of mathematical content from natural language into machine-verifiable formal languages, has seen significant progress driven by advances in large language models (LLMs). Nonetheless, a primary barrier to further improvements is the limited availability of parallel corpora that map informal mathematical text to its formal counterpart. To address this limitation, we propose ATLAS (Autoformalizing Theorems through Lifting, Augmentation, and Synthesis of Data), a novel data generation framework designed to produce large-scale, high-quality parallel corpora of theorem statements. Distinct from prior approaches, ATLAS begins with a concept repository, accelerates the improvement of the student model through expert iteration combined with knowledge distillation, and introduces two novel augmentation strategies that exploit the structural characteristics of formal languages. Running the proposed ATLAS framework for 10 iterations, we construct an undergraduate-level dataset of 117k theorem statements and develop the ATLAS Translator by fine-tuning Llama3.1-8B-Instruct with LoRA. This model establishes a new state of the art, demonstrating statistically significant improvements over both the Herald Translator and the Kimina-Autoformalizer across all benchmarks (p<0.05, two-sided t-test). Furthermore, we demonstrate that the full-parameter fine-tuning of a stronger base model on the ATLAS dataset leads to superior performance. The datasets, model, and code are available at https://github.com/XiaoyangLiu-sjtu/ATLAS.
Authors: Ludvig Doeser, Metin Ata, Jens Jasche
Abstract: Making the most of next-generation galaxy clustering surveys requires overcoming challenges in complex, non-linear modelling to access the significant amount of information at smaller cosmological scales. Field-level inference has provided a unique opportunity beyond summary statistics to use all of the information of the galaxy distribution. However, addressing current challenges often necessitates numerical modelling that incorporates non-differentiable components, hindering the use of efficient gradient-based inference methods. In this paper, we introduce Learning the Universe by Learning to Optimize (LULO), a gradient-free framework for reconstructing the 3D cosmic initial conditions. Our approach advances deep learning to train an optimization algorithm capable of fitting state-of-the-art non-differentiable simulators to data at the field level. Importantly, the neural optimizer solely acts as a search engine in an iterative scheme, always maintaining full physics simulations in the loop, ensuring scalability and reliability. We demonstrate the method by accurately reconstructing initial conditions from $M_{200\mathrm{c}}$ halos identified in a dark matter-only $N$-body simulation with a spherical overdensity algorithm. The derived dark matter and halo overdensity fields exhibit $\geq80\%$ cross-correlation with the ground truth into the non-linear regime $k \sim 1h$ Mpc$^{-1}$. Additional cosmological tests reveal accurate recovery of the power spectra, bispectra, halo mass function, and velocities. With this work, we demonstrate a promising path forward to non-linear field-level inference surpassing the requirement of a differentiable physics model.
Authors: F\'elix Therrien, Jamal Abou Haibeh, Divya Sharma, Rhiannon Hendley, Leah Wairimu Mungai, Sun Sun, Alain Tchagang, Jiang Su, Samuel Huberman, Yoshua Bengio, Hongyu Guo, Alex Hern\'andez-Garc\'ia, Homin Shin
Abstract: Solid-state electrolyte batteries are expected to replace liquid electrolyte lithium-ion batteries in the near future thanks to their higher theoretical energy density and improved safety. However, their adoption is currently hindered by their lower effective ionic conductivity, a quantity that governs charge and discharge rates. Identifying highly ion-conductive materials using conventional theoretical calculations and experimental validation is both time-consuming and resource-intensive. While machine learning holds the promise to expedite this process, relevant ionic conductivity and structural data is scarce. Here, we present OBELiX, a database of $\sim$600 synthesized solid electrolyte materials and their experimentally measured room temperature ionic conductivities gathered from literature and curated by domain experts. Each material is described by their measured composition, space group and lattice parameters. A full-crystal description in the form of a crystallographic information file (CIF) is provided for $\sim$320 structures for which atomic positions were available. We discuss various statistics and features of the dataset and provide training and testing splits carefully designed to avoid data leakage. Finally, we benchmark seven existing ML models on the task of predicting ionic conductivity and discuss their performance. The goal of this work is to facilitate the use of machine learning for solid-state electrolyte materials discovery.
Authors: Cheol-Hui Lee, Hakseung Kim, Byung C. Yoon, Dong-Joo Kim
Abstract: Sleep is essential for maintaining human health and quality of life. Analyzing physiological signals during sleep is critical in assessing sleep quality and diagnosing sleep disorders. However, manual diagnoses by clinicians are time-intensive and subjective. Despite advances in deep learning that have enhanced automation, these approaches remain heavily dependent on large-scale labeled datasets. This study introduces SynthSleepNet, a multimodal hybrid self-supervised learning framework designed for analyzing polysomnography (PSG) data. SynthSleepNet effectively integrates masked prediction and contrastive learning to leverage complementary features across multiple modalities, including electroencephalogram (EEG), electrooculography (EOG), electromyography (EMG), and electrocardiogram (ECG). This approach enables the model to learn highly expressive representations of PSG data. Furthermore, a temporal context module based on Mamba was developed to efficiently capture contextual information across signals. SynthSleepNet achieved superior performance compared to state-of-the-art methods across three downstream tasks: sleep-stage classification, apnea detection, and hypopnea detection, with accuracies of 89.89%, 99.75%, and 89.60%, respectively. The model demonstrated robust performance in a semi-supervised learning environment with limited labels, achieving accuracies of 87.98%, 99.37%, and 77.52% in the same tasks. These results underscore the potential of the model as a foundational tool for the comprehensive analysis of PSG data. SynthSleepNet demonstrates comprehensively superior performance across multiple downstream tasks compared to other methodologies, making it expected to set a new standard for sleep disorder monitoring and diagnostic systems.
Authors: Amir Aghabiglou, Chung San Chu, Chao Tang, Arwa Dabbech, Yves Wiaux
Abstract: The R2D2 Deep Neural Network (DNN) series was recently introduced for image formation in radio interferometry. It can be understood as a learned version of CLEAN, whose minor cycles are substituted with DNNs. We revisit R2D2 on the grounds of series convergence, training methodology, and DNN architecture, improving its robustness in terms of generalizability beyond training conditions, capability to deliver high data fidelity, and epistemic uncertainty. First, while still focusing on telescope-specific training, we enhance the learning process by randomizing Fourier sampling integration times, incorporating multiscan multinoise configurations, and varying imaging settings, including pixel resolution and visibility-weighting scheme. Second, we introduce a convergence criterion whereby the reconstruction process stops when the data residual is compatible with noise, rather than simply using all available DNNs. This not only increases the reconstruction efficiency by reducing its computational cost, but also refines training by pruning out the data/image pairs for which optimal data fidelity is reached before training the next DNN. Third, we substitute R2D2's early U-Net DNN with a novel architecture (U-WDSR) combining U-Net and WDSR, which leverages wide activation, dense skip connections, weight normalization, and low-rank convolution to improve feature reuse and reconstruction precision. As previously, R2D2 was trained for monochromatic intensity imaging with the Very Large Array at fixed $512 \times 512$ image size. Simulations on a wide range of inverse problems and a case study on real data reveal that the new R2D2 model consistently outperforms its earlier version in image reconstruction quality, data fidelity, and epistemic uncertainty.
Authors: Dingling Yao, Filip Tronarp, Nathanael Bosch
Abstract: Filtering-based probabilistic numerical solvers for ordinary differential equations (ODEs), also known as ODE filters, have been established as efficient methods for quantifying numerical uncertainty in the solution of ODEs. In practical applications, however, the underlying dynamical system often contains uncertain parameters, requiring the propagation of this model uncertainty to the ODE solution. In this paper, we demonstrate that ODE filters, despite their probabilistic nature, do not automatically solve this uncertainty propagation problem. To address this limitation, we present a novel approach that combines ODE filters with numerical quadrature to properly marginalize over uncertain parameters, while accounting for both parameter uncertainty and numerical solver uncertainty. Experiments across multiple dynamical systems demonstrate that the resulting uncertainty estimates closely match reference solutions. Notably, we show how the numerical uncertainty from the ODE solver can help prevent overconfidence in the propagated uncertainty estimates, especially when using larger step sizes. Our results illustrate that probabilistic numerical methods can effectively quantify both numerical and parametric uncertainty in dynamical systems.
Authors: Bhiman Kumar Baghel, Emma Jordan, Zheyuan Ryan Shi, Xiang Lorraine Li
Abstract: Large Language Models (LLMs) are widely deployed in downstream tasks, but keeping their knowledge up-to-date via retraining or fine-tuning is often computationally expensive. Model editing provides a more efficient alternative by updating a targeted subset of parameters, which often follows the locate-and-edit paradigm. Despite this efficiency, existing methods are limited: edits may fail to inject knowledge (UnderEdit) or unintentionally disrupt unrelated neighboring knowledge (OverEdit). To address these challenges, we propose two complementary methods: iterative model editing, which applies successive edits to mitigate UnderEdit, and neighbor-assisted model editing, which incorporates neighboring knowledge during editing to reduce OverEdit. Our extensive experiments show that these techniques improve editing performance across multiple LLMs, algorithms, and benchmarks, reducing UnderEdit by up to 38 percentage points and OverEdit by up to 6, while remaining broadly applicable to any locate-and-edit method. We release our code at https://github.com/bhimanbaghel/ResolveUnderOverEdit.
Authors: Philipp Bomatter, Henry Gouk
Abstract: The application of machine learning (ML) to electroencephalography (EEG) has great potential to advance both neuroscientific research and clinical applications. However, the generalisability and robustness of EEG-based ML models often hinge on the amount and diversity of training data. It is common practice to split EEG recordings into small segments, thereby increasing the number of samples substantially compared to the number of individual recordings or participants. We conceptualise this as a multi-level data generation process and investigate the scaling behaviour of model performance with respect to the overall sample size and the participant diversity through large-scale empirical studies. We then use the same framework to investigate the effectiveness of different ML strategies designed to address limited data problems: data augmentations and self-supervised learning. Our findings show that model performance scaling can be severely constrained by participant distribution shifts and provide actionable guidance for data collection and ML research. The code for our experiments is publicly available online.
Authors: Nikolette Pedersen, Regitze Sydendal, Andreas Wulff, Ralf Raumanns, Eike Petersen, Veronika Cheplygina
Abstract: Deep learning has been reported to achieve high performances in the detection of skin cancer, yet many challenges regarding the reproducibility of results and biases remain. This study is a replication (different data, same analysis) of a previous study on Alzheimer's disease detection, which studied the robustness of logistic regression (LR) and convolutional neural networks (CNN) across patient sexes. We explore sex bias in skin cancer detection, using the PAD-UFES-20 dataset with LR trained on handcrafted features reflecting dermatological guidelines (ABCDE and the 7-point checklist), and a pre-trained ResNet-50 model. We evaluate these models in alignment with the replicated study: across multiple training datasets with varied sex composition to determine their robustness. Our results show that both the LR and the CNN were robust to the sex distribution, but the results also revealed that the CNN had a significantly higher accuracy (ACC) and area under the receiver operating characteristics (AUROC) for male patients compared to female patients. The data and relevant scripts to reproduce our results are publicly available (https://github.com/ nikodice4/Skin-cancer-detection-sex-bias).
URLs: https://github.com/
Authors: Balaji Rao, William Eiers, Carlo Lipizzi
Abstract: Formally verifying properties of software code has been a highly desirable task, especially with the emergence of LLM-generated code. In the same vein, they provide an interesting avenue for the exploration of formal verification and mechanistic interpretability. Since the introduction of code-specific models, despite their successes in generating code in Lean4 and Isabelle, the task of generalized theorem proving still remains far from being fully solved and will be a benchmark for reasoning capability in LLMs. In this work, we introduce a framework that generates whole proofs in a formal language to be used within systems that utilize the power of built-in tactics and off-the-shelf automated theorem provers. Our framework includes 3 components: generating natural language statements of the code to be verified, an LLM that generates formal proofs for the given statement, and a module employing heuristics for building the final proof. To train the LLM, we employ a 2-stage fine-tuning process, where we first use SFT-based training to enable the model to generate syntactically correct Isabelle code and then RL-based training that encourages the model to generate proofs verified by a theorem prover. We validate our framework using the miniF2F-test benchmark and the Isabelle proof assistant and design a use case to verify the correctness of the AWS S3 bucket access policy code. We also curate a dataset based on the FVEL\textsubscript{\textnormal{ER}} dataset for future training tasks.
Authors: Andrew Ma, Marin Solja\v{c}i\'c
Abstract: In the past decade, there has been a significant interest in the use of machine learning approaches in materials science research. Conventional deep learning approaches that rely on complex, nonlinear models have become increasingly important in computational materials science due to their high predictive accuracy. In contrast to these approaches, we have shown in a recent work that a remarkably simple learned heuristic rule -- based on the concept of topogivity -- can classify whether a material is topological using only its chemical composition. In this paper, we go beyond the topology classification scenario by also studying the use of machine learning to develop simple heuristic rules for classifying whether a material is a metal based on chemical composition. Moreover, we present a framework for incorporating chemistry-informed inductive bias based on the structure of the periodic table. For both the topology classification and the metallicity classification tasks, we empirically characterize the performance of simple heuristic rules fit with and without chemistry-informed inductive bias across a wide range of training set sizes. We find evidence that incorporating chemistry-informed inductive bias can reduce the amount of training data required to reach a given level of test accuracy.
Authors: Zhibo Hu, Chen Wang, Yanfeng Shu, Hye-Young Paik, Liming Zhu
Abstract: Ambiguity in natural language is a significant obstacle for achieving accurate text to structured data mapping through large language models (LLMs), which affects the performance of tasks such as mapping text to agentic tool calling and text-to-SQL queries. Existing methods to ambiguity handling either rely on the ReACT framework to obtain correct mappings through trial and error, or on supervised fine-tuning to bias models toward specific tasks. In this paper, we adopt a different approach that characterizes representation differences of ambiguous text in the latent space and leverages these differences to identify ambiguity before mapping them to structured data. To detect sentence-level ambiguity, we focus on the relationship between ambiguous questions and their interpretations. Unlike distances calculated by dense embeddings, we introduce a new distance measure based on a path kernel over concepts. With this measurement, we identify patterns to distinguish ambiguous from unambiguous questions. Furthermore, we propose a method for improving LLM performance on ambiguous agentic tool calling through missing concept prediction. Both achieve state-of-the-art results.
Authors: Sen Fang, Weiyuan Ding, Bowen Xu
Abstract: Evaluating the programming robustness of large language models (LLMs) is paramount for ensuring their reliability in AI-based software development. However, adversarial attacks exhibit fundamental limitations that compromise fair robustness assessment: they demonstrate contradictory evaluation outcomes where different attack strategies tend to favor different models, and more critically, they operate solely through external perturbations, failing to capture the intrinsic stability essential for autonomous coding agents where subsequent inputs are endogenously generated by the model itself. We introduce EVALOOOP, a novel assessment framework that evaluates robustness from a self-consistency perspective, leveraging the natural duality inherent in software engineering tasks (e.g., code generation and code summarization). EVALOOOP establishes a self-contained feedback loop where an LLM iteratively transforms between code and natural language until functional failure occurs, with robustness quantified by a novel Average Sustainable Loops (ASL) metric-the mean number of iterations maintaining functional correctness across benchmark tasks. This cyclical strategy intrinsically evaluates robustness without relying on external attack configurations, providing a unified metric that reveals how effectively LLMs preserve semantic integrity through sustained self-referential transformations. We evaluate 96 popular LLMs, ranging from 0.5B to 685B parameters, on EVALOOOP equipped with the MBPP Plus benchmark, and found that EVALOOOP typically induces a 2.65%-47.62% absolute drop in pass@1 accuracy within ten loops. Intriguingly, robustness does not always align with initial performance (i.e., one-time query); for instance, Qwen3-235B-A22B-Instruct-2507, despite inferior initial code generation compared to OpenAI's o-series models and DeepSeek-V3, demonstrated the superior robustness (ASL score).
Authors: Bosung Kim, Prithviraj Ammanabrolu
Abstract: We introduce $\infty$-THOR, a new framework for long-horizon embodied tasks that advances long-context understanding in embodied AI. $\infty$-THOR provides: (1) a generation framework for synthesizing scalable, reproducible, and unlimited long-horizon trajectories; (2) a novel embodied QA task, Needle(s) in the Embodied Haystack, where multiple scattered clues across extended trajectories test agents' long-context reasoning ability; and (3) a long-horizon dataset and benchmark suite featuring complex tasks that span hundreds of environment steps, each paired with ground-truth action sequences. To enable this capability, we explore architectural adaptations, including interleaved Goal-State-Action modeling, context extension techniques, and Context Parallelism, to equip LLM-based agents for extreme long-context reasoning and interaction. Experimental results and analyses highlight the challenges posed by our benchmark and provide insights into training strategies and model behaviors under long-horizon conditions. Our work provides a foundation for the next generation of embodied AI systems capable of robust, long-term reasoning and planning.
Authors: Joakim Edin, R\'obert Csord\'as, Tuukka Ruotsalo, Zhengxuan Wu, Maria Maistro, Casper L. Christensen, Jing Huang, Lars Maal{\o}e
Abstract: Ensuring faithful interpretability in large language models is imperative for trustworthy and reliable AI. A key obstacle is self-repair, a phenomenon where networks compensate for reduced signal in one component by amplifying others, masking the true importance of the ablated component. While prior work attributes self-repair to layer normalization and back-up components that compensate for ablated components, we identify a novel form occurring within the attention mechanism, where softmax redistribution conceals the influence of important attention scores. This leads traditional ablation and gradient-based methods to underestimate the significance of all components contributing to these attention scores. We introduce Gradient Interaction Modifications (GIM), a technique that accounts for self-repair during backpropagation. Extensive experiments across multiple large language models (Gemma 2B/9B, LLAMA 1B/3B/8B, Qwen 1.5B/3B) and diverse tasks demonstrate that GIM significantly improves faithfulness over existing circuit identification and feature attribution methods. Our work is a significant step toward better understanding the inner mechanisms of LLMs, which is crucial for improving them and ensuring their safety. Our code is available at https://github.com/JoakimEdin/gim.
Authors: Akshat Naik, Patrick Quinn, Guillermo Bosch, Emma Goun\'e, Francisco Javier Campos Zabala, Jason Ross Brown, Edward James Young
Abstract: As Large Language Model (LLM) agents become more widespread, associated misalignment risks increase. While prior research has studied agents' ability to produce harmful outputs or follow malicious instructions, it remains unclear how likely agents are to spontaneously pursue unintended goals in realistic deployments. In this work, we approach misalignment as a conflict between the internal goals pursued by the model and the goals intended by its deployer. We introduce a misalignment propensity benchmark, \textsc{AgentMisalignment}, a benchmark suite designed to evaluate the propensity of LLM agents to misalign in realistic scenarios. Evaluations cover behaviours such as avoiding oversight, resisting shutdown, sandbagging, and power-seeking. Testing frontier models, we find that more capable agents tend to exhibit higher misalignment on average. We also systematically vary agent personalities through different system prompts and observe that persona characteristics can strongly and unpredictably influence misalignment, sometimes more than the choice of model itself. Our results reveal the limitations of current alignment methods for autonomous LLM agents and underscore the need to rethink misalignment in realistic deployment settings.
Authors: Rishikesh Srinivasan, Dheeraj Nagaraj
Abstract: We study the problem of sampling from strongly log-concave distributions over $\mathbb{R}^d$ using the Poisson midpoint discretization (a variant of the randomized midpoint method) for overdamped/underdamped Langevin dynamics. We prove its convergence in the 2-Wasserstein distance ($W_2$), achieving a cubic speedup in dependence on the target accuracy ($\epsilon$) over the Euler-Maruyama discretization, surpassing existing bounds for randomized midpoint methods. Notably, in the case of underdamped Langevin dynamics, we demonstrate the complexity of $W_2$ convergence is much smaller than the complexity lower bounds for convergence in $L^2$ strong error established in the literature.
Authors: Hyeon Jeon, Jeongin Park, Sungbok Shin, Jinwook Seo
Abstract: Misuses of t-SNE and UMAP in visual analytics have become increasingly common. For example, although t-SNE and UMAP projections often do not faithfully reflect the original distances between clusters, practitioners frequently use them to investigate inter-cluster relationships. We investigate why this misuse occurs, and discuss methods to prevent it. To that end, we first review 136 papers to verify the prevalence of the misuse. We then interview researchers who have used dimensionality reduction (DR) to understand why such misuse occurs. Finally, we interview DR experts to examine why previous efforts failed to address the misuse. We find that the misuse of t-SNE and UMAP stems primarily from limited DR literacy among practitioners, and that existing attempts to address this issue have been ineffective. Based on these insights, we discuss potential paths forward, including the controversial but pragmatic option of automating the selection of optimal DR projections to prevent misleading analyses.
Authors: Masahiro Kato
Abstract: This study investigates minimax and Bayes optimal strategies in fixed-budget best-arm identification. We consider an adaptive procedure consisting of a sampling phase followed by a recommendation phase, and we design an adaptive experiment within this framework to efficiently identify the best arm, defined as the one with the highest expected outcome. In our proposed strategy, the sampling phase consists of two stages. The first stage is a pilot phase, in which we allocate each arm uniformly in equal proportions to eliminate clearly suboptimal arms and estimate outcome variances. In the second stage, arms are allocated in proportion to the variances estimated during the first stage. After the sampling phase, the procedure enters the recommendation phase, where we select the arm with the highest sample mean as our estimate of the best arm. We prove that this single strategy is simultaneously asymptotically minimax and Bayes optimal for the simple regret, with upper bounds that coincide exactly with our lower bounds, including the constant terms.
Authors: Jae Hyoung Jeon, Cheolsu Lim, Myungjoo Kang
Abstract: Recent success in contrastive learning has sparked growing interest in more effectively leveraging multiple augmented views of an instance. While prior methods incorporate multiple views at the loss or feature level, they primarily capture pairwise relationships and fail to model the joint structure across all views. In this work, we propose a divergence-based similarity function (DSF) that explicitly captures the joint structure by representing each set of augmented views as a distribution and measuring similarity as the divergence between distributions. Extensive experiments demonstrate that DSF consistently improves performance across various tasks, including kNN classification and linear evaluation, while also offering greater efficiency compared to other multi-view methods. Furthermore, we establish a theoretical connection between DSF and cosine similarity, and show that, unlike cosine similarity, DSF operates effectively without requiring a temperature hyperparameter.
Authors: Lucio Pinello, Francesco Cadini, Luca Lomazzi
Abstract: Ultrasonic Guided Waves (UGWs) represent a promising diagnostic tool for Structural Health Monitoring (SHM) in thin-walled structures, and their integration with machine learning (ML) algorithms is increasingly being adopted to enable real-time monitoring capabilities. However, the large-scale deployment of UGW-based ML methods is constrained by data scarcity and limited generalisation across different materials and sensor configurations. To address these limitations, this work proposes a novel transfer learning (TL) framework based on Multilinear Principal Component Analysis (MPCA). First, a Convolutional Neural Network (CNN) for regression is trained to perform damage localisation for a plated structure. Then, MPCA and fine-tuning are combined to have the CNN work for a different plate. By jointly applying MPCA to the source and target domains, the method extracts shared latent features, enabling effective domain adaptation without requiring prior assumptions about dimensionality. Following MPCA, fine-tuning enables adapting the pre-trained CNN to a new domain without the need for a large training dataset. The proposed MPCA-based TL method was tested against 12 case studies involving different composite materials and sensor arrays. Statistical metrics were used to assess domains alignment both before and after MPCA, and the results demonstrate a substantial reduction in localisation error compared to standard TL techniques. Hence, the proposed approach emerges as a robust, data-efficient, and statistically based TL framework for UGW-based SHM.
Authors: Yang Chen, Yanbin Wei, Ke Jin, Yi Kong, James Kwok, Yu Zhang
Abstract: Recent advances in pre-trained vision-language models have demonstrated remarkable zero-shot generalization capabilities. To further enhance these models' adaptability to various downstream tasks, prompt tuning has emerged as a parameter-efficient fine-tuning method. However, despite its efficiency, the generalization ability of prompt remains limited. In contrast, label smoothing (LS) has been widely recognized as an effective regularization technique that prevents models from becoming over-confident and improves their generalization. This inspires us to explore the integration of LS with prompt tuning. However, we have observed that the vanilla LS even weakens the generalization ability of prompt tuning. To address this issue, we propose the Alternating Training-based Label Smoothing (ATLaS) method, which alternately trains with standard one-hot labels and soft labels generated by LS to supervise the prompt tuning. Moreover, we introduce two types of efficient offline soft labels, including Class-wise Soft Labels (CSL) and Instance-wise Soft Labels (ISL), to provide inter-class or instance-class relationships for prompt tuning. The theoretical properties of the proposed ATLaS method are analyzed. Extensive experiments demonstrate that the proposed ATLaS method, combined with CSL and ISL, consistently enhances the generalization performance of prompt tuning. Moreover, the proposed ATLaS method exhibits high compatibility with prevalent prompt tuning methods, enabling seamless integration into existing methods.
Authors: Melanie Wille, Tobias Fischer, Scarlett Raine
Abstract: Underwater object detection is critical for monitoring marine ecosystems but poses unique challenges, including degraded image quality, imbalanced class distribution, and distinct visual characteristics. Not every species is detected equally well, yet underlying causes remain unclear. We address two key research questions: 1) What factors beyond data quantity drive class-specific performance disparities? 2) How can we systematically improve detection of under-performing marine species? We manipulate the DUO and RUOD datasets to separate the object detection task into localization and classification and investigate the under-performance of the scallop class. Localization analysis using YOLO11 and TIDE finds that foreground-background discrimination is the most problematic stage regardless of data quantity. Classification experiments reveal persistent precision gaps even with balanced data, indicating intrinsic feature-based challenges beyond data scarcity and inter-class dependencies. We recommend imbalanced distributions when prioritizing precision, and balanced distributions when prioritizing recall. Improving under-performing classes should focus on algorithmic advances, especially within localization modules. We publicly release our code and datasets.
Authors: Mohamed Mohamed, Brennan Nichyporuk, Douglas L. Arnold, Tal Arbel
Abstract: Vision-language models have demonstrated impressive capabilities in generating 2D images under various conditions; however, the success of these models is largely enabled by extensive, readily available pretrained foundation models. Critically, comparable pretrained models do not exist for 3D, significantly limiting progress. As a result, the potential of vision-language models to produce high-resolution 3D counterfactual medical images conditioned solely on natural language remains unexplored. Addressing this gap would enable powerful clinical and research applications, such as personalized counterfactual explanations, simulation of disease progression, and enhanced medical training by visualizing hypothetical conditions in realistic detail. Our work takes a step toward this challenge by introducing a framework capable of generating high-resolution 3D counterfactual medical images of synthesized patients guided by free-form language prompts. We adapt state-of-the-art 3D diffusion models with enhancements from Simple Diffusion and incorporate augmented conditioning to improve text alignment and image quality. To our knowledge, this is the first demonstration of a language-guided native-3D diffusion model applied to neurological imaging, where faithful three-dimensional modeling is essential. On two neurological MRI datasets, our framework simulates varying counterfactual lesion loads in Multiple Sclerosis and cognitive states in Alzheimer's disease, generating high-quality images while preserving subject fidelity. Our results lay the groundwork for prompt-driven disease progression analysis in 3D medical imaging. Project link - https://lesupermomo.github.io/imagining-alternatives/.
URLs: https://lesupermomo.github.io/imagining-alternatives/.
Authors: Mintae Kim, Jiaze Cai, Koushil Sreenath
Abstract: Designing robust controllers for precise trajectory tracking with quadrotors is challenging due to nonlinear dynamics and underactuation, and becomes harder with flexible cable-suspended payloads that add degrees of freedom and hybrid dynamics. Classical model-based methods offer stability guarantees but require extensive tuning and often fail to adapt when the configuration changes-when a payload is added or removed, or when its mass or cable length varies. We present RoVerFly, a unified learning-based control framework where a single reinforcement learning (RL) policy functions as an implicit hybrid controller, managing complex dynamics without explicit mode detection or controller switching. Trained with task and domain randomization, the controller is resilient to disturbances and varying dynamics. It achieves strong zero-shot generalization across payload settings-including no payload as well as varying mass and cable length-without re-tuning, while retaining the interpretability and structure of a feedback tracking controller. Code and supplementary materials are available at https://github.com/mintaeshkim/roverfly.
Authors: S M Asif Hossain, Ruksat Khan Shayoni, Mohd Ruhul Ameen, Akif Islam, M. F. Mridha, Jungpil Shin
Abstract: Prompt injection attacks represent a major vulnerability in Large Language Model (LLM) deployments, where malicious instructions embedded in user inputs can override system prompts and induce unintended behaviors. This paper presents a novel multi-agent defense framework that employs specialized LLM agents in coordinated pipelines to detect and neutralize prompt injection attacks in real-time. We evaluate our approach using two distinct architectures: a sequential chain-of-agents pipeline and a hierarchical coordinator-based system. Our comprehensive evaluation on 55 unique prompt injection attacks, grouped into 8 categories and totaling 400 attack instances across two LLM platforms (ChatGLM and Llama2), demonstrates significant security improvements. Without defense mechanisms, baseline Attack Success Rates (ASR) reached 30% for ChatGLM and 20% for Llama2. Our multi-agent pipeline achieved 100% mitigation, reducing ASR to 0% across all tested scenarios. The framework demonstrates robustness across multiple attack categories including direct overrides, code execution attempts, data exfiltration, and obfuscation techniques, while maintaining system functionality for legitimate queries.
Authors: Ling Yue, Nithin Somasekharan, Tingwen Zhang, Yadi Cao, Shaowu Pan
Abstract: Computational Fluid Dynamics (CFD) is an essential simulation tool in engineering, yet its steep learning curve and complex manual setup create significant barriers. To address these challenges, we introduce Foam-Agent, a multi-agent framework that automates the entire end-to-end OpenFOAM workflow from a single natural language prompt. Our key innovations address critical gaps in existing systems: 1. An Comprehensive End-to-End Simulation Automation: Foam-Agent is the first system to manage the full simulation pipeline, including advanced pre-processing with a versatile Meshing Agent capable of handling external mesh files and generating new geometries via Gmsh, automatic generation of HPC submission scripts, and post-simulation visualization via ParaView. 2. Composable Service Architecture: Going beyond a monolithic agent, the framework uses Model Context Protocol (MCP) to expose its core functions as discrete, callable tools. This allows for flexible integration and use by other agentic systems, such as Claude-code, for more exploratory workflows. 3. High-Fidelity Configuration Generation: We achieve superior accuracy through a Hierarchical Multi-Index RAG for precise context retrieval and a dependency-aware generation process that ensures configuration consistency. Evaluated on a benchmark of 110 simulation tasks, Foam-Agent achieves an 88.2% success rate with Claude 3.5 Sonnet, significantly outperforming existing frameworks (55.5% for MetaOpenFOAM). Foam-Agent dramatically lowers the expertise barrier for CFD, demonstrating how specialized multi-agent systems can democratize complex scientific computing. The code is public at https://github.com/csml-rpi/Foam-Agent.
Authors: Yu Gu, Jingjing Fu, Xiaodong Liu, Jeya Maria Jose Valanarasu, Noel CF Codella, Reuben Tan, Qianchu Liu, Ying Jin, Sheng Zhang, Jinyu Wang, Rui Wang, Lei Song, Guanghui Qin, Naoto Usuyama, Cliff Wong, Hao Cheng, Hohin Lee, Praneeth Sanapathi, Sarah Hilado, Jiang Bian, Javier Alvarez-Valle, Mu Wei, Khalil Malik, Jianfeng Gao, Eric Horvitz, Matthew P Lungren, Hoifung Poon, Paul Vozila
Abstract: Large frontier models like GPT-5 now achieve top scores on medical benchmarks. But our stress tests tell a different story. Leading systems often guess correctly even when key inputs like images are removed, flip answers under trivial prompt changes, and fabricate convincing yet flawed reasoning. These aren't glitches; they expose how today's benchmarks reward test-taking tricks over medical understanding. We evaluate six flagship models across six widely used benchmarks and find that high leaderboard scores hide brittleness and shortcut learning. Through clinician-guided rubric evaluation, we show that benchmarks vary widely in what they truly measure yet are treated interchangeably, masking failure modes. We caution that medical benchmark scores do not directly reflect real-world readiness. If we want AI to earn trust in healthcare, we must demand more than leaderboard wins and must hold systems accountable for robustness, sound reasoning, and alignment with real medical demands.
Authors: Karan Jakhar, Yifei Guan, Pedram Hassanzadeh
Abstract: By combining AI and fluid physics, we discover a closed-form closure for 2D turbulence from small direct numerical simulation (DNS) data. Large-eddy simulation (LES) with this closure is accurate and stable, reproducing DNS statistics including those of extremes. We also show that the new closure could be derived from a 4th-order truncated Taylor expansion. Prior analytical and AI-based work only found the 2nd-order expansion, which led to unstable LES. The additional terms emerge only when inter-scale energy transfer is considered alongside standard reconstruction criterion in the sparse-equation discovery.
Authors: Haoyang Zheng, Xinyang Liu, Cindy Xiangrui Kong, Nan Jiang, Zheyuan Hu, Weijian Luo, Wei Deng, Guang Lin
Abstract: Fast and high-quality language generation is the holy grail that people pursue in the age of AI. In this work, we introduce Discrete Diffusion Divergence Instruct (DiDi-Instruct), a training-based method that initializes from a pre-trained (masked) discrete diffusion language model (dLLM) and distills a few-step student for fast generation. The resulting DiDi-Instruct model achieves comparable or superior performance to its dLLM teacher and the GPT-2 baseline while enabling up to 64$\times$ acceleration. The theoretical foundation of DiDi-Instruct is a novel framework based on integral KL-divergence minimization, which yields a practical training algorithm. We further introduce grouped reward normalization, intermediate-state matching, and the reward-guided ancestral sampler that significantly improve training stability, model coverage, and inference quality. On OpenWebText, DiDi-Instruct achieves perplexity from 62.2 (8 NFEs) to 18.4 (128 NFEs), which outperforms prior accelerated dLLMs and GPT-2 baseline. These gains come with a negligible entropy loss (around $1\%$) and reduce additional training wall-clock time by more than $20\times$ compared to competing dLLM distillation methods. We further validate the robustness and effectiveness of DiDi-Instruct through extensive ablation studies, model scaling, and the generation of discrete protein sequences. In conclusion, DiDi-Instruct is an efficient yet effective distillation method, enabling language generation in the blink of an eye. We will release both code and models at github.com/haoyangzheng-ai/didi-instruct.
Authors: Paul Gavrikov, Wei Lin, M. Jehanzeb Mirza, Soumya Jahagirdar, Muhammad Huzaifa, Sivan Doveh, Serena Yeung-Levy, James Glass, Hilde Kuehne
Abstract: Is basic visual understanding really solved in state-of-the-art VLMs? We present VisualOverload, a slightly different visual question answering (VQA) benchmark comprising 2,720 question-answer pairs, with privately held ground-truth responses. Unlike prior VQA datasets that typically focus on near global image understanding, VisualOverload challenges models to perform simple, knowledge-free vision tasks in densely populated (or, overloaded) scenes. Our dataset consists of high-resolution scans of public-domain paintings that are populated with multiple figures, actions, and unfolding subplots set against elaborately detailed backdrops. We manually annotated these images with questions across six task categories to probe for a thorough understanding of the scene. We hypothesize that current benchmarks overestimate the performance of VLMs, and encoding and reasoning over details is still a challenging task for them, especially if they are confronted with densely populated scenes. Indeed, we observe that even the best model (o3) out of 37 tested models only achieves 19.6% accuracy on our hardest test split and overall 69.5% accuracy on all questions. Beyond a thorough evaluation, we complement our benchmark with an error analysis that reveals multiple failure modes, including a lack of counting skills, failure in OCR, and striking logical inconsistencies under complex tasks. Altogether, VisualOverload exposes a critical gap in current vision models and offers a crucial resource for the community to develop better models. Benchmark: http://paulgavrikov.github.io/visualoverload
Authors: Nigel Fernandez, Branislav Kveton, Ryan A. Rossi, Andrew S. Lan, Zichao Wang
Abstract: Reasoning language models have demonstrated remarkable performance on many challenging tasks in math, science, and coding. Choosing the right reasoning model for practical deployment involves a performance and cost tradeoff at two key levels: model size and reasoning budget, where larger models and higher reasoning budget lead to better performance but with increased cost and latency. In this work, we tackle this tradeoff from the angle of model configuration routing for different queries, and present RADAR (Reasoning-Ability and Difficulty-Aware Routing), a lightweight, interpretable, and scalable routing framework. Inspired by psychometrics, RADAR learns an item response model from model responses with different budgets to different queries, with interpretable parameters including query difficulties and model-budget abilities. RADAR then routes queries with higher difficulty to model-budget pairs with higher ability, and vice versa. We conduct extensive experiments on 8 widely used challenging reasoning benchmarks, demonstrating the superior performance of RADAR compared to state-of-the-art model routing methods. RADAR also exhibits query generalization capabilities, showing strong performance on out-of-distribution queries in all benchmarks. RADAR is also scalable and can efficiently integrate additional models by dynamically selecting a small set of evaluation queries to estimate their abilities.
Authors: Yonatan Gizachew Achamyeleh, Tongtao Zhang, Joshua Hyunki Kim, Gabriel Garcia, Shih-Yuan Yu, Anton Kocheturov, Mohammad Abdullah Al Faruque
Abstract: Function name prediction is crucial for understanding stripped binaries in software reverse engineering, a key step for \textbf{enabling subsequent vulnerability analysis and patching}. However, existing approaches often struggle with architecture-specific limitations, data scarcity, and diverse naming conventions. We present AGNOMIN, a novel architecture-agnostic approach for multi-label function name prediction in stripped binaries. AGNOMIN builds Feature-Enriched Hierarchical Graphs (FEHGs), combining Control Flow Graphs, Function Call Graphs, and dynamically learned \texttt{PCode} features. A hierarchical graph neural network processes this enriched structure to generate consistent function representations across architectures, vital for \textbf{scalable security assessments}. For function name prediction, AGNOMIN employs a Ren\'ee-inspired decoder, enhanced with an attention-based head layer and algorithmic improvements. We evaluate AGNOMIN on a comprehensive dataset of 9,000 ELF executable binaries across three architectures, demonstrating its superior performance compared to state-of-the-art approaches, with improvements of up to 27.17\% in precision and 55.86\% in recall across the testing dataset. Moreover, AGNOMIN generalizes well to unseen architectures, achieving 5.89\% higher recall than the closest baseline. AGNOMIN's practical utility has been validated through security hackathons, where it successfully aided reverse engineers in analyzing and patching vulnerable binaries across different architectures.
Authors: Dongsu Lee, Daehee Lee, Yaru Niu, Honguk Woo, Amy Zhang, Ding Zhao
Abstract: This work presents a novel representation learning framework, interactive world latent (IWoL), to facilitate team coordination in multi-agent reinforcement learning (MARL). Building effective representation for team coordination is a challenging problem, due to the intricate dynamics emerging from multi-agent interaction and incomplete information induced by local observations. Our key insight is to construct a learnable representation space that jointly captures inter-agent relations and task-specific world information by directly modeling communication protocols. This representation, we maintain fully decentralized execution with implicit coordination, all while avoiding the inherent drawbacks of explicit message passing, e.g., slower decision-making, vulnerability to malicious attackers, and sensitivity to bandwidth constraints. In practice, our representation can be used not only as an implicit latent for each agent, but also as an explicit message for communication. Across four challenging MARL benchmarks, we evaluate both variants and show that IWoL provides a simple yet powerful key for team coordination. Moreover, we demonstrate that our representation can be combined with existing MARL algorithms to further enhance their performance.
Authors: Christoph Timmermann, Hyunse Lee, Woojin Lee
Abstract: While Contrastive Language-Image Pretraining (CLIP) excels at zero-shot tasks by aligning image and text embeddings, its performance in few-shot classification is hindered by a critical limitation: intra-modal misalignment. This issue, caused by a persistent modality gap and CLIP's exclusively inter-modal training objective, leaves the embedding spaces uncalibrated, making direct image-to-image comparisons unreliable. Existing methods attempt to address this by refining similarity logits or by computationally expensive per-sample optimization. To overcome these challenges, we introduce SeMoBridge, a lightweight yet powerful approach that directly addresses the misalignment. Our method maps images into the text modality, while keeping their semantic content intact through what we call a Semantic Modality Bridge. SeMoBridge is closed-form and can optionally be trained through multi-modal supervision, combining image and text-alignment losses to optimize the projection. Experiments show that the trained version, SeMoBridge-T, requires only a fraction of the training time while overall outperforming other methods, particularly in low-data scenarios (1, 2, and 4 shots). The code is available at https://github.com/christti98/semobridge.
Authors: Yichao Liang, Dat Nguyen, Cambridge Yang, Tianyang Li, Joshua B. Tenenbaum, Carl Edward Rasmussen, Adrian Weller, Zenna Tavares, Tom Silver, Kevin Ellis
Abstract: Long-horizon embodied planning is challenging because the world does not only change through an agent's actions: exogenous processes (e.g., water heating, dominoes cascading) unfold concurrently with the agent's actions. We propose a framework for abstract world models that jointly learns (i) symbolic state representations and (ii) causal processes for both endogenous actions and exogenous mechanisms. Each causal process models the time course of a stochastic cause-effect relation. We learn these world models from limited data via variational Bayesian inference combined with LLM proposals. Across five simulated tabletop robotics environments, the learned models enable fast planning that generalizes to held-out tasks with more objects and more complex goals, outperforming a range of baselines.
Authors: Tuan Nguyen, Naseem Khan, Khang Tran, NhatHai Phan, Issa Khalil
Abstract: The rapid rise of synthetic media has made deepfake detection a critical challenge for online safety and trust. Progress remains constrained by the scarcity of large, high-quality datasets. Although multimodal large language models (LLMs) exhibit strong reasoning capabilities, their performance on deepfake detection is poor, often producing explanations that are misaligned with visual evidence or hallucinatory. To address this limitation, we introduce a reasoning-annotated dataset for deepfake detection and propose Paragraph-level Relative Policy Optimization (PRPO), a reinforcement learning algorithm that aligns LLM reasoning with image content at the paragraph level. Experiments show that PRPO improves detection accuracy by a wide margin and achieves the highest reasoning score of 4.55/5.0. Ablation studies further demonstrate that PRPO significantly outperforms GRPO under test-time conditions. These results underscore the importance of grounding multimodal reasoning in visual evidence to enable more reliable and interpretable deepfake detection.
Authors: Sven Dummer, Tjeerd Jan Heeringa, Jos\'e A. Iglesias
Abstract: Recently, there has been growing interest in characterizing the function spaces underlying neural networks. While shallow and deep scalar-valued neural networks have been linked to scalar-valued reproducing kernel Banach spaces (RKBS), $\mathbb{R}^d$-valued neural networks and neural operator models remain less understood in the RKBS setting. To address this gap, we develop a general definition of vector-valued RKBS (vv-RKBS), which inherently includes the associated reproducing kernel. Our construction extends existing definitions by avoiding restrictive assumptions such as symmetric kernel domains, finite-dimensional output spaces, reflexivity, or separability, while still recovering familiar properties of vector-valued reproducing kernel Hilbert spaces (vv-RKHS). We then show that shallow $\mathbb{R}^d$-valued neural networks are elements of a specific vv-RKBS, namely an instance of the integral and neural vv-RKBS. To also explore the functional structure of neural operators, we analyze the DeepONet and Hypernetwork architectures and demonstrate that they too belong to an integral and neural vv-RKBS. In all cases, we establish a Representer Theorem, showing that optimization over these function spaces recovers the corresponding neural architectures.