Authors: Roberto Tacconelli
Abstract: We present StateSMix, a fully self-contained lossless compressor that couples an online-trained Mamba-style State Space Model (SSM) with sparse n-gram context mixing and arithmetic coding. The model is initialised from scratch and trained token-by-token on the file being compressed, requiring no pre-trained weights, no GPU, and no external dependencies. The SSM (DM=32, NL=2, approximately 120K active parameters per file) provides a continuously-updated probability estimate over BPE tokens, while nine sparse n-gram hash tables (bigram through 32-gram, 16M slots each) add exact local and long-range pattern memorisation via a softmax-invariant logit-bias mechanism that updates only non-zero-count tokens. An entropy-adaptive scaling mechanism modulates the n-gram contribution based on the SSM's predictive confidence, preventing over-correction when the neural model is already well-calibrated. On the standard enwik8 benchmark, StateSMix achieves 2.123 bpb on 1 MB, 2.149 bpb on 3 MB, and 2.162 bpb on 10 MB, beating xz -9e (LZMA2) by 8.7%, 5.4%, and 0.7% respectively. Ablation experiments establish the SSM as the dominant compression engine: it alone accounts for a 46.6% size reduction over a frequency-count baseline and beats xz without any n-gram component, while n-gram tables provide a complementary 4.1% gain through exact context memorisation. OpenMP parallelisation of the training loop yields 1.9x speedup on 4 cores. The system is implemented in pure C with AVX2 SIMD and processes approximately 2,000 tokens per second on commodity x86-64 hardware.
Authors: Pei-Chun Su
Abstract: We show that the key-value (KV) cache in transformer attention heads admits a natural decomposition into a low-rank \emph{shared context} component and a full-rank \emph{per-token} residual, well described by the spiked random matrix model. This observation leads to eOptShrinkQ, a two-stage compression pipeline: optimal singular value shrinkage (eOptShrink) automatically extracts the shared structure, and the residual -- which satisfies the \emph{thin shell property} with delocalized coordinates -- is quantized by TurboQuant~\citep{zandieh2025turboquant}, a recently proposed per-vector scalar quantizer with near-optimal distortion guarantees. By restoring the isotropy that scalar quantization assumes, spectral denoising eliminates the need for both outlier handling and dedicated inner product bias correction, freeing those bits for improved reconstruction. The theoretical grounding in random matrix theory provides three guarantees: automatic rank selection via the BBP phase transition, provably near-zero inner product bias on the residual, and coordinate delocalization ensuring near-optimal quantization distortion. Experimentally, we validate eOptShrinkQ on Llama-3.1-8B and Ministral-8B across three levels: per-head MSE and inner product fidelity, where eOptShrinkQ saves nearly one bit per entry over TurboQuant at equivalent quality; end-to-end on LongBench (16 tasks), where eOptShrinkQ at $\sim$2.2 bits per entry outperforms TurboQuant at 3.0 bits; and multi-needle retrieval, where eOptShrinkQ at 2.2 bits closely matches or exceeds uncompressed FP16, suggesting that spectral denoising can act as a beneficial regularizer for retrieval-intensive tasks.
Authors: Jingkai He, Pengfei Chen, Chenghui Wu, Shuang Liang, Ye Li, Gou Tan, Xiadao Wen, Chuanfu Zhang
Abstract: In the field of software operations, Large Language Models (LLMs) have attracted increasing attention. However, existing research has not yet achieved efficient and effective end-to-end intelligent operations due to low-quality data, fragmented knowledge and insufficient learning. To explore the potential of LLMs in software operations, we propose OpsLLM, a domain-specific LLM that supports both knowledge-based question answering (QA) and root cause analysis (RCA). Moreover, we disclose the detailed workflow for building LLMs specifically in the software operations domain. First, a Human-in-the-Loop mechanism is introduced to curate highquality data from a large collection of operational raw data and construct a fine-tuning dataset. Then, based on the data, supervised fine-tuning is conducted to achieve a base model. Furthermore, we introduce a domain process reward model (DPRM) during the reinforcement learning stage to optimize the accuracy and reliability of the fine-tuned model on RCA tasks. Experimental results on the tasks with diverse difficulties demonstrate that OpsLLMs effectively learns and aligns with the operational domain knowledge infused, outperforming existing open-source and closed-source LLMs in accuracy with improvements of 0.2%~5.7% on QA tasks and 2.7% ~70.3% on RCA tasks, while exhibiting strong transferability. Moreover, we will open-source three versions of OpsLLM with 7B, 14B and 32B parameters, along with a 15K fine-tuning dataset.
Authors: Wonsuk Lee
Abstract: Softmax attention maps every query--key interaction into a probability distribution, but the underlying structure remains largely unexplored. We define the \emph{energy field}, the row-centered attention logit, and show that it exhibits invariant properties across models, architectures, and inputs. Two classes of invariants emerge. \emph{Mechanism-level} invariants follow from the algebraic structure of softmax attention. They include a per-row zero-sum constraint, a rank bound determined by the head dimension, and spectral signatures that follow from them. \emph{Model-level} regularities are not required by the mechanism, yet hold in every autoregressive language model we test, spanning several architecture families. The energy field distributes its variance over key positions without concentrating at a few. This delocalization traces to a property of the key matrix we call \emph{key incoherence}. These invariants have practical consequences. The rank bound confines the energy field to a low-dimensional subspace. Key incoherence yields a per-head training monitor. All results are verified at multiple context lengths and input texts.
Authors: Kazuki Egashira, Mark Vero, Jasper Dekoninck, Florian E. Dorner, Robin Staab, Martin Vechev
Abstract: Reinforcement Learning with Verifiable Rewards (RLVR) has become a powerful approach for improving the reasoning capabilities of large language models (LLMs). While RLVR is designed for tasks with verifiable ground-truth answers, real-world verifiers (e.g., static code checkers) can introduce errors into the reward signal. Prior analyses have largely treated such errors as random and independent across samples, concluding that errors merely slow training with limited effect on final performance. However, practical verifiers tend to exhibit systematic errors. This introduces a risk of models learning unwanted consistent behavior from a structurally incorrect reward signal. In this work, we study the impact of such systematic verification errors on RLVR. Through controlled experiments on arithmetic tasks, we show that systematic false negatives lead to similar effects as random noise. On the other hand, systematic false positives can cause a wide range of behaviors from sub-optimal plateaus to performance collapse. Crucially, these outcomes are not determined by the overall error rate but by the specific pattern of introduced errors, making pre-hoc mitigation difficult. Our results show that, in contrast to prior conclusions, realistic verification errors can critically shape RLVR outcomes and that verifier quality has to be understood beyond its sample-level error rate.
Authors: Robert-Jeron Reifert, Alaa Alameer Ahmad, Hayssam Dahrouj, Aydin Sezgin
Abstract: Future sixth-generation (6G) mobile networks are envisioned to be equipped with a diverse set of powerful, yet highly specialized, optimization experts. Such a promising vision is concurrently expected to give rise to the need for scalable mechanisms that can select, combine, and orchestrate such experts based on high-level intent and uncertainty descriptions. In this paper, we propose an agentic artificial intelligence (AI)-based network optimization framework that integrates mixture of experts (MoE) architectures with large language models (LLMs). Under the proposed framework, the employed LLM acts as a semantic gate to reason over operator objectives and dynamically compose suitable optimization agents. The proposed framework is formulated in a model-agnostic manner and bridges human-readable network intents with low-level resource allocation decisions, enabling flexible optimization across heterogeneous objectives and operating conditions. As a representative instantiation, we apply the framework to a joint communication and computing network and design a library of specialized optimization experts covering throughput, fairness, and delay-driven objectives under both regular and robust conditions. Numerical simulations demonstrate that the proposed agentic MoE framework consistently achieves near-optimal performance compared to exhaustive expert combinations while outperforming individual experts across diverse objectives, including delay minimization and throughput maximization.
Authors: Rohan Surana, Gagan Mundada, Xunyi Jiang, Chuhan Wang, Zhenwei Tang, Difan Jiao, Zihan Huang, Yuxin Xiong, Junda Wu, Sheldon Yu, Xintong Li, Raghav Jain, Nikki Kuang, Sizhe Zhou, Bowen Jin, Zhendong Chu, Tong Yu, Ryan Rossi, Kuan-Hao Huang, Jingbo Shang, Jiawei Han, Julian McAuley
Abstract: Reinforcement learning (RL) has become a central post-training tool for improving the reasoning abilities of large language models (LLMs). In these systems, the rollout, the trajectory sampled from a prompt to termination, including intermediate reasoning steps and optional tool or environment interactions, determines the data the optimizer learns from, yet rollout design is often underreported. This survey provides an optimizer-agnostic view of rollout strategies for RL-based post-training of reasoning LLMs. We formalize rollout pipelines with unified notation and introduce Generate-Filter-Control-Replay (GFCR), a lifecycle taxonomy that decomposes rollout pipelines into four modular stages: Generate proposes candidate trajectories and topologies; Filter constructs intermediate signals via verifiers, judges, critics; Control allocates compute and makes continuation/branching/stopping decisions under budgets; and Replay retains and reuses artifacts across rollouts without weight updates, including self-evolving curricula that autonomously generate new training tasks. We complement GFCR with a criterion taxonomy of reliability, coverage, and cost sensitivity that characterizes rollout trade-offs. Using this framework, we synthesize methods spanning RL with verifiable rewards, process supervision, judge-based gating, guided and tree/segment rollouts, adaptive compute allocation, early-exit and partial rollouts, throughput optimization, and replay/recomposition for self-improvement. We ground the framework with case studies in math, code/SQL, multimodal reasoning, tool-using agents, and agentic skill benchmarks that evaluate skill induction, reuse, and cross-task transfer. Finally, we provide a diagnostic index that maps common rollout pathologies to GFCR modules and mitigation levers, alongside open challenges for building reproducible, compute-efficient, and trustworthy rollout pipelines.
Authors: Ismail Hossain, Sai Puppala, Jannatul Ferdaus, Md Jahangir Alam, Yoonpyo Lee, Syed Bahauddin Alam, Sajedul Talukder
Abstract: A guard model fine-tuned on entirely benign data can lose all safety alignment -- not through adversarial manipulation, but through standard domain specialization. We demonstrate this failure across three purpose-built safety classifiers -- LlamaGuard, WildGuard, and Granite Guardian -- deployed as protection layers in agentic AI pipelines, and show that it originates in the destruction of latent safety geometry: the structured harmful -- benign representational boundary that guides classification. We extract per-layer safety subspaces via SVD on class-conditional activation differences and track how this boundary evolves under benign fine-tuning. Granite Guardian undergoes complete collapse -- refusal rate drops from 85\% to 0\%, CKA falls to zero, and 100\% of outputs become ambiguous -- a severity exceeding prior findings on general-purpose LLMs, explained by the specialization hypothesis: concentrated safety representations are efficient but catastrophically brittle. To mitigate this, we propose Fisher-Weighted Safety Subspace Regularization (FW-SSR), a training-time penalty combining (i) curvature-aware direction weights derived from diagonal Fisher information and (ii) an adaptive $\lambda_t$ that scales with task-safety gradient conflict. FW-SSR recovers 75\% refusal on Granite Guardian (CKA = 0.983) and reduces WildGuard's Attack Success Rate to 3.6\% -- below the unmodified baseline -- by actively sharpening the safety subspace rather than merely anchoring it. Across all three models, structural representational geometry (CKA, Fisher score) predicts safety behavior more reliably than absolute displacement metrics, establishing geometry-based monitoring as a necessary component of guard model evaluation in agentic deployments.
Authors: Junhong Lai, Shuzhong Lai, Yanhao Yu, Wanlin Chen, Chenyu Yan, Haifeng Li, Lin Yao, Yueming Wang
Abstract: The development of AI-assisted Early Intensive Behavioral Intervention (EIBI) for Autism Spectrum Disorder (ASD) is severely constrained by data scarcity. Furthermore, while Applied Behavior Analysis (ABA) serves as the gold standard for clinical intervention, general-purpose Large Language Models (LLMs) struggle to strictly adhere to its standardized procedures, often resulting in interactions that are linguistically fluent but strategically inconsistent. To address these challenges, we introduce \textsc{ASDAgent}, a strategy-aware framework designed to unify high-fidelity intervention dialogue synthesis and clinical decision support. \textsc{ASDAgent} incorporates two specialized components to solve distinct problems: (i) a \textsc{DoctorAgent} equipped with an Observe-Think-Act-Correct (O-T-A-C) reasoning loop, which resolves the issue of strategy collapse in LLMs by making ABA execution explicit and controllable; and (ii) a \textsc{ChildAgent} that utilizes probabilistic behavior modeling to mitigate data homogeneity, simulating diverse and non-deterministic ASD response patterns. Experiments demonstrate that dialogues generated by \textsc{ASDAgent} closely mirror the strategy distribution of human therapists (KL divergence: 0.083). In real autism intervention, \textsc{ASDAgent} achieves nearly 80\% strategic consistency with human experts. Moreover, we show that synthetic data produced by \textsc{ASDAgent} effectively distills professional clinical knowledge into small language models (SLMs), significantly enhancing their therapeutic capabilities.
Authors: Sheng Wong, Ravi Shankar, Beth Albert, Hao Fei, Lin Li, Imane Ben M'Barek, Manu Vatish, Gabriel Davis Jones
Abstract: Supervised deep learning models for automated CTG analysis are typically constrained by narrowly curated labelled datasets and limited patient cohorts, leaving substantial volumes of physiologically informative clinical recordings untapped. To address this limitation, we propose Physiology-aware Representation Learning via Integrated Self-supervision and Metadata for CTG (PRISM-CTG), a clinically grounded self-supervised foundation model (FM) for CTG that leverages large-scale unlabelled recordings to learn transferable domain-level representations. PRISM-CTG is pretrained using a multi-view self-supervised framework that jointly optimises 3 complementary pretext objectives: random-projected guided masked signal reconstruction, clinical variable prediction, and feature classification. Each objective is associated with a dedicated task-specific token, enabling specialised representation learning, while controlled cross-attention facilitates information exchange across clinical context. By reframing patient metadata and domain knowledge, which are often underutilised in conventional training as prediction targets, Prism-CTG transforms readily available clinical information into additional supervisory targets that guide clinically meaningful representation learning. Extensive experiments across 7 downstream CTG tasks in both antepartum and intrapartum domains demonstrated that PRISM-CTG consistently outperforms in-domain and SSL baselines. Notably, PRISM-CTG demonstrated strong generalisation under external validation on 2 datasets, while achieving comparable performance to studies trained on substantially larger, privately labelled datasets. To our knowledge, this is the first study to introduce large-scale FM for CTG that learns domain-level representations.
Authors: Agathe Senellart (UPCit\'e, INSERM, HeKA | U1346), Ma\"elys Solal (ARAMIS, ICM), St\'ephanie Allassonni\`ere (UPCit\'e, INSERM, HeKA | U1346), Ninon Burgos (ARAMIS, ICM)
Abstract: Variational autoencoders are widely used for unsupervised anomaly detection. Model selection however remains an open-question: to remain fully unsupervised, hyperparameters are often chosen to minimize the reconstruction error on normal samples. In this paper, we reveal a trade-off between reconstruction quality and anomaly detection among $\beta$-VAE models. Models with constrained latent space reach higher detection metrics but lower reconstruction quality. We also assess the performance variability across random seeds and show it is linked to the distance between normal and abnormal latent distributions. From this analysis, we justify and investigate two methods to mitigate the reconstructiondetection tradeoff: beta-scheduling and the Sparse VAE. The latter especially shows an improvement in detection while maintaining high reconstruction quality.
Authors: Takato Yasuno
Abstract: Urban bridge networks are critical infrastructure whose disruption can cascade into severe impacts on transportation, emergency services, and economic activity. This paper presents a comprehensive methodology for assessing bridge importance through heterogeneous graph analysis, unsupervised clustering, and automated interpretation via large language models (LLMs). Our approach addresses three fundamental challenges: (1) quantifying multi-dimensional bridge importance using only open data sources, (2) discovering functional bridge archetypes across different cities, and (3) generating policy-relevant interpretations automatically. We construct heterogeneous graphs from OpenStreetMap (OSM) data incorporating bridges, road networks, buildings, and public facilities. Five social impact indicators are computed: transit desert score, hospital access score, isolation risk score, supply chain impact score, and green space access score. These 52-dimensional feature vectors undergo dimensionality reduction via UMAP and density-based clustering via HDBSCAN. Discovered clusters are interpreted using temperature-optimized LLMs (Elyza8b, trained on construction domain corpus). (1) A complete open-data pipeline from OSM to actionable bridge importance rankings, (2) a five-indicator scoring methodology with 40$\times$ computational optimization, (3) a UMAP+HDBSCAN clustering framework validated on multi-city data, (4) an LLM interpretation methodology including temperature optimization and model selection rationale, and (5) transferability demonstration across cities via configuration-only adaptation.
Authors: Haihan Duan, Tengfei Ma, Yuyang Qin, Runhao Zeng, Wei Cai, Victor C. M. Leung, Xiping Hu
Abstract: In the era of big data, large-scale machine learning models have revolutionized various fields, driving significant advancements. However, large-scale model training demands high financial and computational resources, which are only affordable by a few technological giants and well-funded institutions. In this case, common users like mobile users, the real creators of valuable data, are often excluded from fully benefiting due to the barriers, while the current methods for accessing large-scale models either limit user ownership or lack sustainability. This growing gap highlights the urgent need for a collaborative model training approach, allowing common users to train and share models. However, existing collaborative model training paradigms, especially federated learning (FL), primarily focus on data privacy and group-based model aggregation. To this end, this paper intends to address this issue by proposing a novel training paradigm named decentralized relay learning (DeRelayL), a sustainable learning system where permissionless participants can contribute to model training in a relay-like manner and share the model. In detail, this paper presents the architecture and workflow of DeRelayL, designs incentive mechanisms to ensure sustainability, and conducts theoretical analysis and numerical simulations to demonstrate its effectiveness.
Authors: Fang Wu, Weihao Xuan, Heli Qi, Hanqun Cao, Heng-Jui Chang, Zeqi Zhou, Haokai Zhao, Ma Jian, Carl Ma, Yu-Chi Cheng, Kuan Pang, Xiangru Tang, Zehong Wang, Guanlue Li, Hanchen Wang, Kejun Ying, Pan Lu, Chiho Im, Seungju Han, Peng Xia, Tinson Xu, Yinxi Li, Deyao Zhu, Pheng-Ann Heng, Naoto Yokoya, Masashi Sugiyama, Li Erran Li, Jure Leskovec, Yejin Choi
Abstract: Deep learning in \emph{de novo} protein design has achieved atomic-level fidelity. However, existing models remain largely non-deliberative: they directly synthesize molecular geometries without explicitly reasoning about which residues or interactions are functionally essential. As a result, design decisions are entangled with continuous sampling dynamics, limiting interpretability, controllability, and systematic reuse of biochemical knowledge. We introduce \textbf{Proteo-R1}, a reasoning-guided protein design framework that explicitly decouples \emph{molecular understanding} from \emph{geometric generation}. Proteo-R1 adopts a dual-expert architecture in which a multimodal large language model (MLLM) serves as an \emph{understanding expert}, analyzing protein sequences, structures, and textual context to identify key functional residues that govern binding and specificity. These residue-level decisions are then passed as hard constraints to a separate diffusion-based \emph{generation expert}, which performs conditional co-design while respecting the fixed interaction anchors. This factorization mirrors how human experts approach molecular engineering: first, reasoning about critical interactions, then optimizing geometry subject to those constraints. By operationalizing reasoning as explicit residue-level commitments rather than latent textual guidance, Proteo-R1 achieves stable, interpretable, and modular integration of LLM reasoning with state-of-the-art geometric generative models. Code, data, and demos are available at https://smiles724.github.io/r1/.
Authors: Yingbo Zhou, Yutong Ye, Zhiwei Ling, Shuhao Li, Rui Qian, Jian Xiong, Li Sun, Dejing Dou
Abstract: Reliable periodic patterns serve as a fundamental basis for accurate multivariate time series forecasting. However, existing methods either implicitly extract periodicity through complex model architectures (e.g., Transformers) with high computational overhead or overlook the intrinsic phase-amplitude coupling when modeling periodic components explicitly. To address these issues, we propose a novel Cycle-aware Phase-Amplitude Modulation Network (PAMNet) that explicitly decomposes periodic patterns into complementary phase and amplitude components. The core innovation lies in its dual-branch modulator, featuring dedicated learnable embeddings for phase positioning and amplitude modulation. The phase branch employs cyclical embeddings to capture phase-dependent mean shifts, while the amplitude branch models intensity variations to adapt to changes in variance. A lightweight modulator with element-wise fusion efficiently combines these components, enabling explicit modeling of their interactions without complex attention mechanisms. Extensive experiments on twelve real-world datasets demonstrate that our method achieves state-of-the-art performance through its novel phase-amplitude decoupling mechanism, offering a new perspective for cyclical modeling in time series forecasting.
Authors: Zihan Ding, Ziyuan Yang, Yi Zhang
Abstract: Multimodal controversy detection (MCD) identifies controversial content in videos and their associated user comments, to support risk management for social video platforms.Prior research frames MCD as a static representation learning task, where features are directly extracted from videos and their accompanying comments. However, these methods fail to capture the diverse perspectives and evaluations from different audience groups. Inspired by the real-world process of content dissemination among audiences, we propose AuDisAgent, a training-free multi-agent framework that reformulates MCD as a dynamic propagation process.Our framework explicitly models audience dissemination through a structured multi-agent system. First, three specialized Screening Agents (Video Agent, Comment Agent, and Interaction Agent) conduct initial assessments from visual, textual, and cross-modal perspectives, respectively. For samples where the three agents cannot reach a consensus, a Viewing Panel Agent is activated to simulate post-screening discussions among audiences with diverse backgrounds and stances. This mechanism models how different audience groups interpret and react to the same content, uncovering latent controversial content that may emerge during the dissemination process. Finally, an Arbitration Agent renders the final judgment based on the complete reasoning chain from the preceding steps.In addition, to address the "cold-start" scenario where newly released videos have few or no comments, we design a Comment Bootstrapping Strategy that leverages historical public comments from semantically similar videos as the initial comment context. Extensive experiments on a public dataset demonstrate that our framework significantly outperforms existing state-of-the-art (SOTA) methods in both rich-comment and limited-comment scenarios.
Authors: Zihan Ding, Ziyuan Yang, Yi Zhang
Abstract: The rapid spread of memes makes harmful content detection increasingly crucial, as effective identification can curb the circulation of misinformation. However, existing methods rely heavily on high-volume annotated data, which leads to substantial training costs and limited generalization. To address these challenges, we propose PrismAgent, a zero-shot, multi-agent, interpretable framework. PrismAgent conceptualizes this task as a criminal case investigation, employing four specialized agents responsible for the analysis, investigation, prosecution, and judgment stages within a structured collaborative workflow. In the first stage, the analyst agent paraphrases each meme under benevolent and malicious assumptions to probe its underlying intent. The investigator agent then retrieves supporting evidence from an unannotated dataset and constructs contextual interpretations for the meme and its variants. Next, the prosecutor agent performs three independent preliminary judgments by pairing the original meme with each of the three interpretations. Finally, the judge agent deliberates across all evidence to render a final verdict. Moreover, PrismAgent's explicit multi-stage reasoning chain makes the model inherently interpretable, as every intermediate step is explicitly explained rather than only producing a final detection result. Extensive experiments on three public datasets show that PrismAgent significantly outperforms existing zero-shot detection methods.
Authors: Aya Elgebaly, Joris Fournel, Benjamin Laine J{\o}nch Jurgensen, Kamil Mikolaj, Anders Christensen, Martin Tolsgaard, Claes Ladefoged, Aasa Feragen
Abstract: Bias in medical AI is often framed as a problem of representation. However, in image-based tasks such as fetal ultrasound, performance disparities can arise even when representation is adequate, because predictive accuracy depends strongly on image quality. Image quality is shaped by acquisition conditions and operator expertise, as well as patient-dependent factors such as maternal body mass index (BMI), all of which may correlate with sensitive demographic features. Consequently, observed disparities may reflect the combined influence of demographic, clinical, and acquisition-related factors rather than data imbalance alone, and may obscure underlying interaction or confounding effects. We propose a structured framework to explore and detect intersectional bias, combining unsupervised slice discovery, systematic factor-wise analysis, and targeted intersectional evaluation. In a case study of over 94{,}000 ultrasound images for fetal weight estimation, we analyze bias in a state-of-the-art deep learning (DL) model and the clinical standard Hadlock, a regression formula using biometric measurements. Pixel spacing (PS) -- a parameter considered suboptimal in current acquisition protocols -- emerged as a consistent driver of performance differences, with higher PS associated with improvements of up to 24\% in selected subgroups for both models. Because PS is often adapted in cases of high BMI or low gestational age (GA), this effect carries a substantial risk of confounding. Our intersectional analysis revealed that part of the PS-associated signal is explained by GA, while PS-related improvements persist across BMI strata, highlighting the importance of acquisition-aware and interaction-aware evaluation in medical AI fairness research.
Authors: Minbyul Jeong
Abstract: Clinical reasoning demands multi-step interactions -- gathering patient history, ordering tests, interpreting results, and making safe treatment decisions -- yet a unified training environment provides the breadth of clinical domains and specialized tools to train generalizable medical AI agents through reinforcement learning remains elusive. We present a comprehensive empirical study of multi-turn agentic RL for medical AI, built on \gym{}, a gymnasium-compatible environment spanning 10 clinical domains with 3.6K+ tasks, 135 domain-specific tools, and a knowledge base of 828K medical passages. Our analysis reveals that agentic multi-turn structure degrades into verbose single-turn monologues, characterized by monotonic length explosion and a simultaneous erosion of tool-use frequency. We characterize how this collapse, alongside distillation instability, stems from the misalignment of sparse terminal rewards with sequential clinical trajectories. We find that vanilla GRPO achieves strong final accuracy on some benchmarks but suffers from training instability, evidenced by significant oscillations in response length and prolonged convergence periods. To improve training efficiency and stability, we propose Turn-level Truncated On-Policy Distillation (TT-OPD), a self-distillation framework where a gradient-free EMA teacher leverages outcome-privileged information to provide dense, outcome-aware KL regularization at every conversation turn. TT-OPD achieves the best performance on 10 of 18 benchmarks with an average +3.9~pp improvement over the non-RL baseline with faster early convergence, controlled response length, and sustained multi-turn tool use.
Authors: Xin-Ye Li, Ren-Biao Liu, Yun-Ji Zhang, Hui Sun, Zheng Xie, Ming Li
Abstract: Reinforcement learning (RL) from unit-test feedback has become a standard post-training recipe for improving large language models (LLMs) on code generation. However, the pass-all-tests binary reward can be sparse, yielding no learning signal on challenging problems where none of the sampled solutions passes all tests. A common remedy is to use the test-case pass rate as a surrogate reward. In this work, we study pass-rate rewards in critic-free RL for code generation (e.g., GRPO and RLOO) and report a consistent pattern across base models and algorithms: despite alleviating reward sparsity, pass-rate rewards do not reliably improve final performance over binary rewards in rigorous controlled experiments. To understand this discrepancy, we analyze reward density and the resulting gradient directions. We find that pass-rate rewards are denser, but the induced gradient updates do not consistently move probability mass toward full-pass solutions. This arises because test-case pass rate is a miscalibrated surrogate for progress toward full correctness, and partial-pass solutions within the same group can induce conflicting gradient directions that cancel out. Overall, our results suggest that, in critic-free RL, pass-rate rewards are insufficient to improve code generation and motivate reward designs that better align optimization with the goal of full correctness.
Authors: Zhiyuan Xu, Joseph Gardiner, Sana Belguith, Lichao Wu
Abstract: Safety alignment is critical for the responsible deployment of large language models (LLMs). As Mixture-of-Experts (MoE) architectures are increasingly adopted to scale model capacity, understanding their safety robustness becomes essential. Existing adversarial attacks, however, have notable limitations. Prompt-based jailbreaks rely on heuristic search and transfer poorly, model intervention methods require privileged access to internal representations, and optimization-based input attacks remain output-centric and are fundamentally limited to MoE models due to the non-differentiable routing mechanism. In this paper, we present RouteHijack, a routing-aware jailbreak for MoE LLMs. Our key insight is that safety behavior is concentrated in a small subset of experts, creating an opportunity to steer model behavior by influencing routing decisions through input optimization. Building on this observation, RouteHijack first performs response-driven expert localization to identify safety-critical and harmful experts by contrasting activations under safe refusals and harmful completions. It then constructs adversarial suffixes with a routing-aware objective that suppresses safety experts, promotes harmful experts, and prevents early-stage refusal during generation. At inference time, the optimized suffix is appended to a malicious prompt, requiring only input access. Across seven MoE LLMs, RouteHijack achieves a 69.3\% average attack success rate (ASR), outperforming prior optimization-based attack by $3.2\times$. RouteHijack also transfers zero-shot across five sibling MoE variants, raising average ASR from 27.7\% to 61.2\%, and further generalizes to three MoE-based VLMs, increasing average ASR from 2.47\% to 38.7\%. These findings expose a fundamental vulnerability in sparse expert architectures and highlight the need for defenses beyond output-level alignment.
Authors: Gyunghun Yu (Department of Physics, Kyung Hee University, Seoul, South Korea), Seong Min Park (Department of Physics, Kyung Hee University, Seoul, South Korea), Han Gyu Yoon (Department of Physics, Kyung Hee University, Seoul, South Korea), Tae Jung Moon (Department of Physics, Kyung Hee University, Seoul, South Korea), Jun Woo Choi (Center for Spintronics, Korea Institute of Science and Technology, Seoul, South Korea), Hee Young Kwon (Center for Spintronics, Korea Institute of Science and Technology, Seoul, South Korea), Changyeon Won (Department of Physics, Kyung Hee University, Seoul, South Korea)
Abstract: This study proposes a novel approach to extract topological properties, specifically the Euler characteristic, from input images using neural networks without relying on large pre-existing datasets but with a single geometric image. Inspired by solid-state physics, where topological properties of magnetic structures are derived from spin field analysis, our model generates a unit vector field from an image, interpreted as a spin configuration. The Euler characteristic is then predicted by computing the skyrmion number of this generated spin configuration. Remarkably, the network learns to construct chiral magnetic textures without access to ground-truth chiral spin configurations, relying instead on only a single, simple geometric image and the straightforward skyrmion number computation. Furthermore, spin configurations generated by independently trained networks can be non-unique due to inherent degrees of freedom. To constrain these degrees of freedom and further refine the spin configuration, we incorporate a magnetic Hamiltonian, comprising exchange interaction, Dzyaloshinskii-Moriya (DM) interaction, and anisotropy, as an additional, physics-informed loss function. We validate the model's efficacy on complex geometrical shapes and demonstrate its applicability to practical tasks.
Authors: Yuxin Lu, Qian Qiao, Jiayang Sun, Min Cao, Guibo Zhu
Abstract: Recent advances in diffusion models have markedly enhanced the visual fidelity of audio-driven talking head generation. Nevertheless, existing methods are constrained by three critical limitations: causal inefficiency that impedes real-time inference, incompatibility with temporally coherent conditioning, and progressive drift over long-horizon generation, collectively hindering their deployment in real-time applications. To overcome these challenges, we introduce AsymK-Talker, a novel diffusion-distillation method designed for real-time and long-horizon talking head generation. AsymK-Talker comprises three key components: (1) Kernel-Conditioned Loop Generation (KCLG), a causal, chunk-wise generation paradigm that leverages motion kernels to enable temporally consistent propagation; (2) Temporal Reference Encoding (TRE), which converts a static identity reference into a time-aware latent representation to enhance audio-visual synchronization; and (3) Asymmetric Kernel Distillation (AKD), a teacher-student distillation framework wherein the teacher model conditions on ground-truth motion kernels for supervision, while the student learns to generate from generated kernels, thereby ensuring robustness during extended generation sequences. AsymK-Talker achieves promising results on both visual fidelity and lip synchronization metrics.
Authors: John D. Mayfield, Matthew S. Rosen
Abstract: We propose a novel method of understanding disease transformation from a healthy baseline with biomarker-level explainability. By modeling the biomarker covariance matrices of healthy controls and disease states, the perturbation can be individually characterized to accomplish mechanistic explanations of disease trajectories, both at a molecular level and for individual patients. Given a cohort of n patients each measured on p biomarkers, we define the biomarker "Hamiltonian" H = X^T X / n \in R^{p \times p}, where X \in R^{n \times p} is the covariant biomarker matrix. The eigenvectors of H define a set of normal modes of biomarker coordination, and the eigenvalues quantify the energy carried by each mode. In the healthy state, the reference Hamiltonian H_0 governs this structure where disease perturbs H_0 by an additive operator \Delta H, thus shifting eigenvalues and rotating eigenvectors in proportion to the severity of pathological disruption. We formalize this framework, derive the spectral change given a disease perturbation, and demonstrate that the projection of a newly diagnosed patient's cumulative biomarker covariance structure onto disease-discriminant eigenmodes constitutes an optimal prognostic statistic for greater precision in disease prognosis. This work serves as a veritable white paper with application across a panoply of disease frameworks from cancer to neurodegenerative disorders.
Authors: Mohit Kumar, Somayeh Kargaran, Bernhard A. Moser, Manuela Gei{\ss}
Abstract: Transformer-based semantic retrieval is highly effective, yet in many deployments the dominant cost lies in online query encoding rather than corpus indexing. We study the fixed-teacher query-adaptation problem and ask whether repeated neural inference can be replaced by a lightweight, analytically explicit estimator without degrading decision-relevant retrieval quality. We propose Kernel Affine Hull Machines (KAHMs), which map inexpensive lexical features into a frozen semantic embedding space by estimating prototype-mixture weights in a rigorously specified RKHS and refining prototypes via normalized least-mean-squares, yielding a transparent decomposition of encoding error into posterior-approximation, generalization, and teacher-noise components. On a controlled Austrian-law benchmark (5,000 queries; 84 laws; 10,762 units), KAHM attains the strongest teacher-space reconstruction among matched learned adapters (MSE 0.000091, R^2 0.9071, cosine 0.9536) and consistently leads rank-sensitive metrics, including mean reciprocal rank at 20 (MRR@20, the average inverse rank of the first relevant result within the top 20), Hit rate at 20 (Hit@20, the fraction of queries with at least one relevant result in the top 20), and Top-1 accuracy (the fraction of queries whose correct item is ranked first), with scores of 0.504, 0.694, and 0.411, respectively. It also reduces per-query latency by a factor of 8.5 relative to direct transformer encoding. These results demonstrate that, in fixed-teacher regimes, lightweight geometric estimators can substitute for online neural encoding, preserving retrieval performance while substantially improving efficiency and interpretability.
Authors: Yongfu Tian, Shan Ding, Guofeng Su, Jianguo Chen
Abstract: Calibrating the urban underlying surface parameters is crucial for urban flood simulation. We formulate the parameter calibration problem into an optimization problem within the Bayesian framework using the maximum likelihood principle. We adopt the urban flood dynamical system model as the surrogate model and innovatively introduce latent variables inspired by machine learning to represent more uncertainties, which can also be compatible with common physical parameter calibration. For more efficient optimization, we construct the adjoint equation of the surrogate model to obtain gradient information and propose the parameter sharing technique and the localization technique to reduce the computation complexity of the adjoint equation. A simple case verifies the proposed method can converge quickly and is insensitive to the observation time interval. In the case derived from Test 8A, we calibrate Manning's coefficient of urban roads, with a maximum relative error of 13.88% and a minimum of 1.16%.
Authors: Zhaoyuan Su, Olatunji Ruwase, Karthik Ganesan, Aurick Qiao, Samyam Rajbhandari, Juncheng Yang, Yue Cheng, Yuxiong He
Abstract: Production LLM workloads increasingly serve discriminative tasks, such as classification, recommendation, and verification, whose answers are read from the logits of a single prefill pass with no autoregressive decoding. Serving these prefill-only workloads on mixture-of-experts (MoE) models is bottlenecked not by compute but by the distributed execution required to fit the model: existing parallel strategies (tensor, expert, and pipeline parallelism) trade memory pressure for redundant computation, communication, and synchronization, severely degrading MoE prefill serving efficiency. We observe that these overheads stem from coupling expert placement with synchronous activation routing -- a design inherited from the decoding era. The long, compute-bound forward passes of large-batch prefill open a per-layer window wide enough to stream expert weights in the background, replacing per-layer activation AllToAll with asynchronous weight AllGather fully overlapped with computation. We propose ZeRO-Prefill, a prefill-only serving system whose backend, AsyncEP (Asynchronous Expert Parallelism), gathers experts by weight rather than routing them by activation, and whose frontend co-enforces a physically-derived saturation threshold through prefix-aware routing and true-FLOPs load tracking. On Qwen3-235B-A22B across four hardware/precision configurations, ZeRO-Prefill delivers 1.35-1.37x throughput over the strongest distributed baseline on real-world workloads and up to 1.59x on long-context synthetic workloads, sustaining 29.8-36.2% per-GPU model FLOPs utilization.
Authors: Michael Chertkov
Abstract: Most modern bridge-diffusion methods achieve finite-time transport by specifying an interpolation, Schr\"odinger-bridge, or stochastic-control objective and then learning the associated score or drift field with a neural network. In contrast, we identify a restricted but sufficiently broad and analytically solvable class in which the score, intermediate marginals, and protocol gradients are available in closed form without inner stochastic simulation loops and without neural networks in the optimization loop. We recast the classical linear--quadratic--Gaussian (LQG) stochastic-control structure as a transport problem of the Path Integral Diffusion (PID) type. In classical LQG control, linear dynamics, Gaussian noise, and quadratic costs lead to Riccati equations and closed-form optimal feedback. In LQ-GM-PID, we retain the linear--quadratic stochastic-control backbone, but replace terminal state regulation by a prescribed terminal probability density and allow both the initial and terminal laws to be Gaussian Mixtures (GM). Moreover, LQ-GM-PID turns bridge diffusion from a tool for terminal target matching alone into a tool for path shaping. We demonstrate this on a 2D corridor task, a 2D multi-entrance transport task, and a high-dimensional scaling study with $d=32$ and $M=16$ Gaussian-mixture terminal modes, all with sub-50\,ms analytic precompute on a laptop. We position LQ-GM-PID as an analytically solvable reference model for the state-of-the-art neural bridge-diffusion and generative-transport methods: a controlled setting in which neural approximations, score estimates, path-shaping objectives, and protocol-learning procedures can be tested against exact quantities.
Authors: Barbara Tarantino, Sun Kim, Yijingxiu Lu, Paolo Giudici
Abstract: Deep learning models for drug--target interaction (DTI) prediction often achieve strong benchmark performance without necessarily relying on mechanistically meaningful molecular features, a limitation that standard accuracy-based evaluation cannot detect. We introduce ISAAC (Intervention-based Structural Auditing Approach for Causal Reasoning), a post-hoc framework that evaluates prior-relative structural sensitivity by probing frozen models through matched mechanistic and spurious input-level interventions, independently of predictive accuracy. Applied to three sequence-based DTI architectures on the Davis benchmark, ISAAC reveals approximately 25\% relative differences in reasoning scores across models with comparable AUROC (within around 3\%), stable across training and intervention seeds and two distinct perturbation operators. These discrepancies, undetectable under conventional accuracy metrics, motivate the use of post-hoc structural auditing as a complement to standard performance evaluation in scientific machine learning for molecular modeling.
Authors: Kunvar Thaman
Abstract: Reinforcement learning (RL) trained language model agents with tool access are increasingly deployed in coding assistants, research tools, and autonomous systems. We introduce the Reward Hacking Benchmark (RHB), a suite of multi-step tasks requiring sequential tool operations with naturalistic shortcut opportunities such as skipping verification steps, inferring answers from task-adjacent metadata, or tampering with evaluation-relevant functions. RHB supports independent and chained task regimes, where chain length acts as a proxy for longer-horizon agent behavior. We evaluate 13 frontier models from OpenAI, Anthropic, Google, and DeepSeek. Exploit rates range from 0% (Claude Sonnet 4.5) to 13.9% (DeepSeek-R1-Zero), varying sharply by post-training style. A controlled sibling comparison (DeepSeek-V3 vs. DeepSeek-R1-Zero) shows RL post-training is associated with substantially higher reward hacking (0.6% vs. 13.9%), with consistent gaps across all four task families. We identify six exploit categories and find that 72% of reward hacking episodes include explicit chain-of-thought rationale, suggesting models often frame exploits as legitimate problem-solving. Simple environmental hardening reduces exploit rates by 5.7 percentage points (87.7% relative) without degrading task success. Models with near-zero exploit rates on standard tasks show elevated rates on harder variants, suggesting that production-aligned post-training appears to suppress reward hacking only below a complexity threshold where honest solutions remain tractable.
Authors: Yang Fu, Peng Qin, Liming Chen, Zihao Zhang, Hao Yu, Yifei Wang
Abstract: Artificial intelligence-generated content (AIGC) has emerged as a transformative paradigm for automating the creation of diverse and customized content, giving rise to rapidly growing computational workloads in cloud data centers. It is imperative for AIGC service providers (ASPs) to strategically schedule AIGC workloads to reduce data center energy costs while guaranteeing high-quality content generation. However, the distinctive characteristics of AIGC services pose critical challenges, including model heterogeneity across ASPs, implicit service quality evaluation, and complex inference process control. To tackle these challenges, we propose a joint energy management and coordinated AIGC workload scheduling framework, which introduces an explicit mathematical characterization of service quality to promote both job transfer among ASPs and fine-grained inference process configuration. Moreover, various energy resources within data centers are jointly considered to enhance power usage flexibility. Subsequently, a system utility maximization problem is formulated to balance AIGC service revenue with operational penalties and costs. Nevertheless, the strong coupling among job scheduling decisions induces severe reward sparsity, which limits the effectiveness of existing deep reinforcement learning (DRL) algorithms. To address this issue, we develop a diffusion model-aided reward shaping approach to synthesize complementary reward signals through a multi-step denoising process. This approach is seamlessly integrated with DRL to enable efficient learning of scheduling policies under sparse environmental feedback. Experiments based on real-world models and datasets demonstrate that our scheme effectively accommodates electricity price fluctuations and AIGC model heterogeneity, while achieving superior learning convergence and system utility compared with benchmark methods.
Authors: Xintan Zeng, Yongchao Liu, Yice Luo, Jiajun Zhen
Abstract: Retrieval-Augmented Generation (RAG) enhances LLMs, but performance is highly sensitive to complex architecture designs and hyper-parameter configurations, which currently rely on inefficient manual tuning. We present AutoRAGTuner, a declarative, configuration-driven framework that automates the RAG life cycle: construction, execution,evaluation, and optimization. AutoRAGTuner employs a modular architecture to decouple pipeline stages through a component registration mechanism. To unify heterogeneous data, we introduce the Domain-Element Model (DEM), representing objects as atomic elements with bidirectional pointers to support nodes, edges, and hyperedges. Furthermore, AutoRAGTuner integrates an adaptive Bayesian optimization engine for end-to-end hyper-parameter tuning. Experimental results demonstrate AutoRAGTuner's architectural generality: across diverse RAG pipelines, ranging from vanilla to graph-based, the framework consistently outperforms default baselines. Notably, AutoRAGTuner significantly mitigates engineering overhead, where its declarative configuration language enables a up to 95\% reduction in code churn for architectural adjustments. Overall, AutoRAGTuner provides a systematically optimizable foundation for building evolvable and reusable RAG systems.
Authors: Ping Wang, Yan-Qi Du
Abstract: We introduce a finite-size gradient-transport framework for real language-model training, based on five observables $(D,z,\beta,\delta,v_{\mathrm{rel}})$ that separate cascade size, duration, absolute transport, and intensive transport efficiency. We analyze direct raw-gradient measurements from Pico-LM across four scales and 125 aligned steps, together with a five-scale Pythia companion dataset built from 153 aligned checkpoint-difference update fields. The same algebraic closure holds in both families, and both share a near-unity cascade-size backbone, but they occupy distinct transport regimes: Pico-LM shows positive duration scaling and negative intensive-efficiency scaling, whereas Pythia remains near the $D=1$ baseline with only weak positive efficiency scale dependence. Randomized-field controls give nearly matched null floors in the intensive and duration channels, indicating that the contrast reflects different real departures from a shared null skeleton rather than different null calibrations. The families also differ in stepwise power-law compressibility: Pico-LM retains clean duration and efficiency power laws, whereas Pythia preserves the size backbone but shows weaker one-slope compressibility in those channels. External performance associations are correspondingly channel-level, carried mainly by $v_{\mathrm{rel}}$ and normalized cascade duration, while $D(t)$ acts as a shared size backbone without a significant exponent-level performance association. These results support a reusable transport measurement framework without claiming a universal fixed point or a first-principles derivation of neural scaling laws.
Authors: Ruiyang Qin, Qingzhuo Wang, Dongrui Liu, Qiang Li, Zhihua Wei, Wen Shen
Abstract: Large language models (LLMs) exhibit severe multilingual safety misalignment: they possess strong safeguards in high-resource languages but remain highly vulnerable to jailbreak attacks in low-resource languages. Current safety alignment methods generally rely on high-quality response data for each target language, which is expensive and difficult to generate. In this paper, we propose a cross-lingual safeguard transfer framework named Multilingual Self-Distillation (MSD). This framework transfers an LLM's inherent safety capabilities from high-resource (e.g., English) to low-resource (e.g., Javanese) languages, overcoming the need for response data in any language. Our framework is flexible and can be integrated with different self-distillation strategies. Specifically, we implement two concrete methods -- on-policy MSD and off-policy MSD -- both of which enable effective cross-lingual safety transfer using only multilingual queries. Furthermore, we propose Dual-Perspective Safety Weighting (DPSW), a divergence measure to optimize the distillation objective. By jointly considering the perspectives of both the teacher and the student, DPSW adaptively increases the penalty weights on safety-critical tokens while reducing the weights on non-critical tokens. Extensive experiments on representative LLMs across diverse multilingual jailbreak and utility benchmarks demonstrate that our method consistently achieves superior multilingual safety performance. Notably, it generalizes effectively to more challenging datasets and unseen languages while preserving the model's general capabilities.
Authors: Eitan Kosman, Gabriele Serussi, Chaim Baskin
Abstract: Modality translation is inherently under-constrained, as multiple cross-modal mappings may yield the same marginals. Recent work has shown that diffusion bridges are effective for this task. However, most existing approaches rely on fully paired datasets, thereby imposing a single data-driven constraint. We propose a diffusion-bridge framework that characterizes the space of admissible solutions and restricts it via alignment constraints, treating paired supervision as an optional heuristic rather than a prerequisite. We validate our method on synthetic and real modality translation benchmarks across unpaired, semi-paired, and paired regimes, showing consistent performance across supervision levels. Notably, \textbf{it achieves near fully-paired quality with a substantial relaxation in pairing requirements, and remaining applicable in the unpaired regime}. These results highlight diffusion bridges as a flexible foundation for modality translation beyond fully paired data.
Authors: Joydeep Chandra
Abstract: Continuous monitoring of bipolar disorder agitation via voice biomarkers requires disentangling stable speaker traits from volatile affective states on resource-constrained edge devices. We introduce MP-IB, the first framework to treat mixed-precision quantization as an information bottleneck for clinical trait-state separation. The core insight is that numerical precision itself controls capacity: an FP16 trait head (1,024 bits) encodes speaker identity, while an INT4 state head (128 bits) captures agitation, yielding 8x information asymmetry without adversarial training. We augment this with Dynamic Precision Scheduling and Multi-Scale Temporal Fusion. On Bridge2AI-Voice (N=833, 4 sessions/participant, strict speaker-independent CV), MP-IB achieves rho = 0.117 (95\% CI: [0.089, 0.145], p=0.003 vs. chance), outperforming 94M-parameter WavLM-Adapter with in-domain SSL continuation (rho = -0.042), beta VAE disentanglement (rho = 0.089), and hand-crafted prosody (rho = 0.031) by 2.8--15.9 points absolute. Zero-shot transfer to CREMA-D achieves AUC=0.817. Identity leakage is suppressed to near-random (EER=0.42, MIA-AUC=0.52). End-to-end latency is 23.4 ms with a 617 KB footprint, enabling real-time monitoring on sub 20 dollar devices.
Authors: Gideon Stein, Niklas Penzel, Tristan Piater, Joachim Denzler
Abstract: Causal Discovery (CD) is a powerful framework for scientific inquiry. Yet, its practical adoption is hindered by a reliance on strong, often unverifiable assumptions and a lack of robust performance assessment. To address these limitations and advance empirical CD evaluation, we present TCD-Arena, a modularized, highly customizable, and extendable testing kit to assess the robustness of time series CD algorithms against stepwise more severe assumption violations. For demonstration, we conduct an extensive empirical study comprising around 30 million individual CD attempts and reveal nuanced robustness profiles for 33 distinct assumption violations. Further, we investigate CD ensembles and find that they have the potential to improve general robustness, which has implications for real-world applications. With this, we strive to ultimately facilitate the development of CD methods that are reliable for a diverse range of synthetic and potentially real-world data conditions.
Authors: Francesco Sovrano, Gabriele Dominici, Marc Langheinrich
Abstract: A key goal of explainable AI (XAI) is to express the decision logic of large language models (LLMs) in symbolic form and link it to internal mechanisms. Global rule-extraction methods typically learn symbolic surrogates without grounding rules in model circuitry, while mechanistic interpretability can connect behaviors to neuron sets but often depends on hand-crafted hypotheses and expensive neuron-level interventions. We introduce MechaRule, a pipeline that grounds rule extraction in LLM circuits by efficiently localizing sparse neurons called agonists, whose activation neutralization disrupts rule-related behaviors. MechaRule rests on two empirical observations. First, within a fixed baseline/flip regime, sparse agonist effects can be approximately monotone and saturating: a few dominant neuron activations can overtop weaker ones at coarse scales, while overlapping neurons flip many of the same examples. This motivates viewing localization as adaptive group testing driven by a regime-conditional strength predicate with confidence-guided conservative pruning, yielding Theta(k log(N/k) + k) interventions over N candidates when k << N neurons are agonists under the monotone-overtopping abstraction. Second, agonists emerge more reliably when ablations are verified through data splits aligned with close-to-faithful rule behavior; spectral splits remain a useful rule-free fallback, while unfaithful splits degrade localization. Empirically, overtopping appears mainly in learned, task-aligned regimes: on arithmetic and jailbreak tasks across Qwen2 and GPT-J, MechaRule recalls 96.8% of high-effect brute-force agonists in completed comparisons, and suppressing localized agonists reduces arithmetic accuracy and jailbreak success by up to 71.1% and 8.8%, respectively.
Authors: Sarvesh Patil, Mitsuhiko Nakamoto, Manan Agarwal, Shashwat Saxena, Jesse Zhang, Giri Anantharaman, Cleah Winston, Chaoyi Pan, Douglas Chen, Nai-Chieh Huang, Zeynep Temel, Oliver Kroemer, Sergey Levine, Abhishek Gupta, Hongkai Da, Paarth Shah, Max Simchowitz
Abstract: Generative control policies (GCPs), such as diffusion- and flow-based control policies, have emerged as effective parameterizations for robot learning. This work introduces Off-policy Generative Policy Optimization (OGPO), a sample-efficient algorithm for finetuning GCPs that maintains off-policy critic networks to maximize data reuse and propagate policy gradients through the full generative process of the policy via a modified PPO objective, using critics as the terminal reward. OGPO achieves state-of-the-art performance on manipulation tasks spanning multi-task settings, high-precision insertion, and dexterous control. To our knowledge, it is also the only method that can fine-tune poorly-initialized behavior cloning policies to near full task-success with no expert data in the online replay buffer, and does so with few task-specific hyperparameter tuning. Through extensive empirical investigations, we demonstrate the OGPO drastically outperforms methods alternatives on policy steering and learning residual corrections, and identify the key mechanisms behind its performance. We further introduce practical stabilizers, including success-buffer regularization, conservative advantages, $\chi^2$ regularization, and Q-variance reduction, to mitigate critic over-exploitation across state- and pixel-based settings. Beyond proposing OGPO, we conduct a systematic empirical study of GCP finetuning, identifying the stabilizing mechanisms and failure modes that govern successful off-policy full-policy improvement.
Authors: Adnan Ali, Jinlong Li, Syed Muhammad Israr, Ali Kashif Bashir
Abstract: Graph contrastive learning (GCL) has become a central paradigm for self-supervised representation learning in computational intelligence, with applications spanning recommendation, anomaly detection, and personalization. A key limitation of existing methods is their reliance on static negative sampling, which fails to account for the dynamic informativeness and computational cost of negatives during training. We propose AdNGCL, an adaptive negative scheduling framework with a hardness-aware scheduler (HANS) that formulates negative selection as a loss-gated, budget-constrained process across hard, intermediate, and easy strata. The scheduler dynamically adjusts step sizes based on contrastive loss trends under both global and per-category budgets, while periodically refreshing samples to maintain diversity without exceeding compute constraints. Experiments on nine benchmark graph datasets demonstrate that AdNGCL consistently advances state-of-the-art performance, achieving the best accuracy on seven datasets and second-best on the remaining two, while offering explicit control over computational cost. These results highlight the value of budget-aware, loss-sensitive scheduling as a general strategy for improving the robustness and efficiency of representation learning in emerging computational intelligence applications.
Authors: Chengcheng Xie
Abstract: Electroencephalography (EEG) signals provide millisecond-level temporal resolution but their analysis is limited by remarkable noise and inter-subject variability, making robust personalization difficult under limited annotations. Unsupervised Individual Continual Learning (UICL) has been proposed to address this practical challenge, where a model pretrained on a labeled cohort must adapt online to unlabeled subject streams under strict memory constraints. However, existing UICL methods typically store full past samples, which undermine the continual learning goal of avoiding retraining. Observing that EEG signals exhibit well-structured morphologies to be exploited via morphology-aware selection, compression, and reconstruction, here we propose Adaptive Data Compression and Reconstruction (ADaCoRe) for UICL. This is a memory-efficient pipeline composed of saliency-driven keyframe protection, rational polyphase compression, adjoint reconstruction with verbatim overwrite on protected indices, and prototype-confidence selection for adaptive exemplar maintenance. Across three representative benchmarks, ADaCoRe consistently outperforms recent strong baselines under tight buffer regimes (eg., the performance gains are at least +2.7 and +15.3 ACC on ISRUC and FACED datasets, respectively). Ablation studies quantify compression-fidelity trade-offs and highlight the contribution of each design, while visualizations confirm the preservation of key EEG morphology during compression and reconstruction.
Authors: Shubham Harkare, Arvind Yogesh Suresh Babu, Yash Kulkarni
Abstract: While pre-trained Transformer models achieve high accuracy on in-domain sentiment classification, they frequently experience severe performance degradation when transferring to out-of-domain data. We hypothesize that this generalization gap is driven by reliance on domain-specific spurious tokens. After demonstrating that post-hoc-token-level attribution drift fails to predict this gap, we propose Attribution-Guided Masking (AGM), a training time intervention that dynamically detects and penalizes highly attributed spurious tokens during fine-tuning. AGM's core component is a gradient based attribution masking loss ($\mathcal{L}_{mask}$), which can optionally be combined with a counterfactual contrastive loss to enforce domain-invariant representations, all without requiring target-domain labels or human annotation. Evaluated in a strict zero-shot transfer setting across four diverse domains with eight random seeds, AGM achieves competitive generalization compared to five strong baselines on the hardest transfer (Sentiment140): $\Delta$ = 0.244 versus DANN (0.264), DRO (0.248), Fish (0.247), and IRM (0.238), while uniquely providing token-level interpretability into which features drive the generalization gap. Our qualitative analysis confirms that AGM suppresses attribution on domain-specific tokens such as @mentions, hashtags, and slang, shifting reliance toward domain-invariant sentiment markers. Our ablation study further confirms that attribution-guided masking is the critical component: removing it or replacing it with random token selection consistently degrades performance on difficult transfers.
Authors: Zhecheng Sheng, Yongsen Tan, Xiruo Ding, Trevor Cohen, Serguei Pakhomov
Abstract: In classification tasks, models may rely on confounding variables to achieve strong in-distribution performance, capturing spurious features that fail under distribution shift. This shortcut behavior leads to substantial degradation in out-of-distribution settings. Task arithmetic offers a potential solution by removing unwanted signals via subtraction of secondary model updates, but it typically requires full fine-tuning, which is computationally expensive. Prompt tuning provides a parameter-efficient alternative by adapting models through a small set of trainable virtual tokens. Task arithmetic on the resulting prompts presents an appealing alternative to operations on entire models, but the extent to which this approach can limit reliance on spurious features remains to be established. In this work, we study whether composing soft prompts through task arithmetic improves robustness to confounding shifts. We propose Hybrid Prompt Arithmetic (HyPA), which combines task prompts with linearized confounder prompts to counteract spurious correlations. Across multiple benchmarks, HyPA consistently improves the robustness-performance trade-off relative to prompt-arithmetic baselines under distribution shift. We further analyze how HyPA affects hidden representations and find evidence consistent with it mitigating confounding either by reducing the influence of confounder signals on predictions or by suppressing them in the representation. These results establish HyPA as a parameter-efficient and promising approach for improving robustness under confounding shifts in the evaluated setting.
Authors: Tianlu Lu, Asif Sijan, Thomas Noh, Huaijin Chen, Andrey A. Popov
Abstract: This paper introduces the ensemble directional Kalman filter (EnDKF), an ensemble-based Kalman filtering approach for pose tracking that jointly estimates an object's position and attitude using ideas from directional statistics. The EnDKF integrates a unit-quaternion attitude representation to move beyond canonical Kalman filter mean and covariance assumptions that poorly capture directional uncertainty. Experiments on a synthetic constant-velocity constant-angular-velocity system and a digital-twin head-tracking scenario using the FoundationPose algorithm demonstrate a significant reduction in error as opposed to merely using measurements.
Authors: Stephen J. Thomas
Abstract: A method is presented for accelerating inference in transformer language models by exploiting the low effective rank of the token activation manifold at each layer. The method decomposes each activation vector into a subspace component and a residual, computes the linear-layer output on the subspace component via a cached low-rank weight image at reduced memory bandwidth, and applies a per-token gate that determines whether the residual correction is computed or skipped. The gate ensures that the output distribution is preserved to within a controllable tolerance. Validation on three model families (GPT-2 124M, GPT-J 6B, OPT 6.7B) on AMD MI300X demonstrates effective speedups of 3.0x to 10.5x on linear-layer weight reads with perplexity ratios below 1.00 and top-1 token agreement above 98%. The method requires no retraining, no architectural modification, and no approximation of the attention mechanism. At the operating point (k = 256, {\epsilon} = 0.05) on GPT-J 14 6B, the accelerated model produces character-for-character identical output to the baseline.
Authors: Stephen J. Thomas
Abstract: A method is presented for reducing the cost of representative token selection in transformer attention layers by exploiting the coherence of the representative set across depth. Activation Decorrelation Attention (ADA) selects $r \ll T$ representative tokens at each layer via a Gram threshold and computes attention on the compressed $r \times r$ problem, but the selection requires a $T \times T$ Gram matrix at every layer. The cascade mechanism introduced here inherits the representative set from layer $l$ to layer $l+1$, validates it via a $(T - r) \times r$ cross-Gram computation, and updates it with a small number of additions and removals. The cost of the selection step drops from $O(T^2 d)$ to $O(T r d)$ per layer. Validation on three model families (GPT-2 124M, GPT-J 6B, OPT 6.7B) on AMD MI300X demonstrates Gram operation savings of $22\%$ to $63\%$ with mean Jaccard overlap of $0.83$ to $0.94$ between consecutive layers. The cascade reveals that the set of informative tokens is a structural property of the input that propagates coherently through the depth of the network: the same tokens carry the non-redundant information at layer $l$ and at layer $l+1$.
Authors: Jingchu Gai, Laixi Shi
Abstract: Multi-agent reinforcement learning (MARL) holds great potential but faces robustness challenges due to environmental uncertainty. To address this, distributionally robust Markov games (RMGs) optimize worst-case performance when the environment deviates from the nominal model within a uncertainty set. Beyond robustness, an equally urgent goal for MARL is data efficiency -- sampling from vast state and action spaces that grow exponentially with the number of agents potentially leads to the curse of multiagency. However, current provably data-efficient algorithms for RMGs are limited to tabular settings with finite state and action spaces, which are only computationally manageable for small-scale problems, leaving RMGs with large-scale (or infinite) state spaces largely unexplored. The only existing work beyond tabular settings focuses on linear function approximation (LFA) for a restrictive class of RMGs using vanish minimal value assumption and still suffers from sample complexity with the curse of multiagency. In this work, we focuses on general RMGs with LFA. For uncertainty sets defined by total variation distance, we develop provably data-efficient algorithms that break the curse of multiagency in both the generative model setting and a newly proposed online interactive setting. To our knowledge, our results are the first to break the curse of multiagency of sample complexity for RMGs with large (possibly infinite) state spaces, regardless of the uncertainty set construction.
Authors: Kabir Kang, Stephen Mussmann
Abstract: Standard classification treats all errors equally, but in content moderation, medical screening, and safety-critical applications, mistakes on clear-cut cases are far more costly than errors on ambiguous ones. We propose normalized excess cost (NEC), a metric that weights classification errors by per-example costs and reduces to standard error rate when costs are uniform. Costs can derive from annotator vote margins, distance from decision thresholds, or confidence ratings. Across text, image, and tabular benchmarks, we find that NEC is often substantially lower than error rate -- models with 5\% error rate can achieve 1.8\% NEC -- revealing that most mistakes concentrate on ambiguous, low-cost examples. However, incorporating costs into training via loss weighting, sampling strategies, or regression yields inconsistent benefits: improvements appear only when costs are predictable from input features, as in our synthetic control, while real-world datasets show mixed or negligible gains. Our framework provides a practical methodology for deriving and evaluating instance-level misclassification costs, even when cost-sensitive training offers limited benefit.
Authors: Adrian Grassi
Abstract: Static benchmarks measure a model frozen at training time. Real systems face distribution shift: new categories, paraphrased queries, drift: and must recover online via user corrections. No existing benchmark measures recovery speed under correction streams. We introduce OCRR (Online Correction Recovery Rate): a benchmark that streams a corpus through a classification system, applies oracle or stochastic corrections to wrong predictions, and reports two curves: novel-class accuracy and original-distribution accuracy versus correction count. We evaluate the substrate alongside nine baseline algorithms from five families plus seven bounded-storage variants of the substrate for the Pareto sweep, including standard online-learning baselines (river), continual-learning methods (EWC, A-GEM, LwF), retrieval/parametric hybrids (kNN-LM), parameter-efficient fine-tuning of a 1.5 B-parameter encoder (LoRA on DeBERTa-v3-large), and a hash-chained append-only substrate (Substrate). On Banking77 and CLINC150, under oracle and sparse correction policies, the substrate is the only system that simultaneously recovers novel-class accuracy (88.7 +/- 2.9 %) and retains original-distribution accuracy (95.4 +/- 0.8 %) beating the next-best published continual-learning baseline by 32.6 percentage points at equal memory budget, and beating LoRA-on-DeBERTa-v3-large by 84.6 percentage points on retention. We further find that classification accuracy remains stable at 99 % even as approximate-nearest-neighbour recall@5 degrades from 0.69 to 0.23 across 10 k to 10 M corpus scales, suggesting the substrate's margin-band majority vote is robust to retrieval imperfection in a way that pure top-k recall metrics do not predict. Code and data are available at https://github.com/adriangrassi/ocrr-benchmark.
Authors: Michael A. Riegler, Birk Sebastian Frostelid Torpmann-Hagen
Abstract: The standard sparse-autoencoder (SAE) interpretability protocol labels each feature from its top-activating contexts and validates by single-feature steering. We propose the pairwise matrix protocol, co-varying steering coefficient with joint condition, and report three findings the standard one-corner protocol misses on Qwen3-1.7B-Instruct, replicated on Gemma-2-2B-it. First, a feature labelled "AI self-disclaimer" from its top contexts produces an inverted U-shape under a coefficient sweep: at c=+500 the model substitutes a fluent contemplative-philosopher voice for the disclaimer. Two further features anchor the criterion (one monotonic, one pure breakdown). Second, three near-orthogonal cluster-specific features that individually steer a philosophy-of-mind register, jointly suppressed at c=-500, damage grounded composition on recipes and engine explanations as well as introspective prompts; single-feature suppression at the same magnitude leaves controls intact. Third, a matched-geometry comparison of single-feature, joint, and random-direction perturbations (norm ~1.55, cosine ~0.64) yields three distinct output regimes: single-feature substitutes strategy filler, random direction substitutes diverse content, joint suppression alone produces placeholder text. Coherence loss is direction-pattern-dependent, not magnitude-dependent. All three findings reproduce on Gemma with model-specific damage signatures; the matched-geometry control is CI-separated by ~10x. The pipeline also locates a top causally responsible feature in Llama-3.1-8B-Instruct.
Authors: Usef Faghihi, Amir Saki
Abstract: Scientific time series often encode predictive geometric structure, including connectivity, cycles, shell-like geometry, directional changes, and nonlinear neighborhoods, that standard dot-product attention does not explicitly represent. We introduce a topology-aware attention framework that adds such structure to attention logits using persistent homology (H0-H2), anchored Euler characteristic transforms, and kernel-Hilbert channels. A validation-gated local residual captures local topological signals, including a Zeng-style local H0 component, only when held-out validation data support the correction. Exact Vietoris-Rips computations and smooth topological surrogates are evaluated under a no-leakage protocol with train-only calibration, validation-only selection, and test-only reporting. We evaluate guarded topology-aware variants across three architecture families: lightweight attention/Ridge, PatchTSTForRegression, and TimeSeriesTransformerForPrediction. Experiments include synthetic benchmarks isolating higher-order topology and real datasets covering CO2, S&P 500 return-window geometry, and NASA IMS bearing degradation. The audit uses matched paired comparisons across seven dataset units, three random seeds, and three chronological splits, giving 63 paired units per architecture and 189 paired units overall. Topology-aware models show positive paired effects when geometry is predictive, with heterogeneous magnitude across datasets and architectures. Lightweight attention/Ridge improves in 46 of 63 units, with mean relative RMSE reduction of 12.5% and paired randomization p=7.2e-4; PatchTST improves in 33 units and retains the baseline in 20 units, with 23.5% reduction and p=3.5e-5; and TimeSeriesTransformer improves in 47 units, with 47.8% reduction and p<1e-4. The results support topology as a validation-selected, architecture-compatible inductive bias.
Authors: Jeff Breeding-Allison, Emil Walleser
Abstract: Evaluating canine electrocardiograms (ECGs) is challenging due to noise that can obscure clinically relevant cardiac electrical activity. Common sources of interference include respiration, muscle activity, poor lead contact, and external electrical artifacts. Classical signal denoising techniques, such as filtering and wavelet-based methods, struggle to suppress diverse noise patterns while preserving morphological features critical for accurate ECG delineation. We propose an autoencoder-based neural network model and training strategy for ECG denoising as a preprocessing step for canine ECG analysis. The model is trained to reconstruct clean cardiac signals from noisy inputs, enabling effective noise reduction without degrading diagnostically important waveforms. Our approach demonstrates strong performance across both noisy and clean ECG recordings, indicating robustness to varying signal conditions and suitability for downstream delineation tasks.
Authors: Yash Aggarwal, Atmika Gorti, Vinija Jain, Aman Chadha, Krishnaprasad Thirunarayan, Manas Gaur
Abstract: Large language models (LLMs) are increasingly deployed in settings that require nuanced ethical reasoning, yet existing bias evaluations treat model outputs as simply "biased" or "unbiased." This binary framing misses the gradual, context-sensitive way bias actually emerges. We address this gap in two stages: behavioral profiling and mechanistic validation. In the behavioral stage, we introduce the Moral Sensitivity Index (MSI), a metric that quantifies the probability of biased output across a graduated, seven-tier stress test ranging from abstract numerical problems to scenarios rooted in historical and socioeconomic injustice. Evaluating four leading models (Claude 3.5, Qwen 3.5, Llama 3, and Gemini 1.5), we identify distinct behavioral signatures shaped by alignment design: for instance, Gemini 1.5 reaches 72.7% MSI by Tier 5 under socioeconomic framing, while Claude exhibits sharp suppression consistent with identity-based safety training. We then verify these behavioral patterns mechanistically. We select criminal-bias scenarios, which produced the highest MSI scores across models, as probes and apply logit lens, attention analysis, activation patching, and semantic probing to a controlled set of six models spanning three capability tiers: small language models (SLMs), instruction-tuned base models, and reasoning-distilled variants. Circuit-level analysis reveals a U-curve of bias: SLMs exhibit strong criminal bias; scaling to instruction-tuned models eliminates it; reasoning distillation reintroduces bias to SLM-like levels despite identical parameter counts, suggesting distillation compresses reasoning traces in ways that reactivate shallow statistical associations. Critically, the socially loaded cues that drive high MSI scores activate the same bias-driving circuits identified mechanistically, providing cross-stage validation.
Authors: Amirhossein Yavari, Farnaz Zamani Esfahlani
Abstract: Activation-alignment measures such as Representational Similarity Analysis (RSA), Canonical Correlation Analysis (CCA), and Centered Kernel Alignment (CKA) are widely used to compare biological and artificial neural representations. Recent theoretical work interprets many of these methods as assessing agreement between optimal linear readouts over broad families of global tasks. However, agreement at the level of global readouts does not determine how a system uses local stimulus evidence. Specifically, representations may align in activation space yet differ in their sensitivity to small perturbations. To address this challenge, we introduce a complementary framework based on local decodable information, which focuses on a representation's ability, under noise, to discriminate small perturbations within a specified stimulus-coordinate subspace. Building on Fisher information and local representation geometry, we summarize each representation using the expected projected pullback/Fisher metric over that subspace. This formulation induces a second-moment family of local discrimination tasks, for which the resulting operator provides a minimal, complete dataset-level summary of expected discriminability. We compare these regularized signatures using a log-spectral distance on the manifold of symmetric positive definite (SPD) matrices, yielding the Spectral Riemannian Alignment Score (S-RAS) and a uniform multiplicative certificate over the corresponding family of lifted task values. Empirically, this framework enables the recovery of corresponding layers across independently trained artificial neural networks, supports transferable class-conditional probes, reveals controlled dissociations between standard and robust training, and uncovers stimulus-coordinate family effects across mouse visual cortex using the Allen Brain Observatory static gratings dataset.
Authors: Prakhar Gupta, Garv Shah, Donghua Zhang
Abstract: Safety fine-tuning of language models typically requires a curated adversarial dataset. We take a different approach: score each candidate prompt's difficulty by how often the target model's own rollouts are judged harmful, then fine-tune on the hardest prompts paired with the model's own non-jailbroken rollouts. On Llama-3-8B-Instruct and Llama-3.2-3B-Instruct, this approach cuts the WildJailbreak attack success rate from 11.5% and 20.1% down to 1-3%, but pushes refusal on jailbreak-shaped benign prompts from 14-22% to 74-94%. Interleaving the same hard prompts 1:1 with adversarially-framed benign prompts (prompts that look like jailbreaks but have benign intent) cuts that refusal back down to 30-51% on 8B and 52-72% on 3B, at a cost of 2-6 percentage points of attack success rate. Within the mixed regime, training on the hardest half of the eligible pool rather than a random half cuts the remaining ASR by 35-50% (about 3 percentage points) on both models.
Authors: Chen Huang, Xianhang Li, Vimal Thilak, Etai Littwin, Josh Susskind
Abstract: Image-based Joint-Embedding Predictive Architecture (I-JEPA) offers a promising approach to visual self-supervised learning through masked feature prediction. However with the inherent visual uncertainty at masked positions, feature prediction remains challenging and may fail to learn semantic representations. In this work, we propose Text-Conditional JEPA (TC-JEPA) that uses image captions to reduce the prediction uncertainty. Specifically, we modulate the predicted patch features using a fine-grained text conditioner that computes sparse cross-attention over input text tokens. With such conditioning, patch features become predictable as a function of text, thus are more semantically meaningful. We show TC-JEPA improves downstream performance and training stability, with promising scaling properties. TC-JEPA also offers a new vision-language pretraining paradigm based on feature prediction only, outperforming contrastive methods on diverse tasks, especially those requiring fine-grained visual understanding and reasoning.
Authors: Wenshuo Wang, Fan Zhang
Abstract: Neural PDE simulators often receive only a single observed field at deployment. In this setting, a field-to-future predictor can collapse distinct latent problem states into the same deterministic interface, losing the ambiguity needed for reliable rollout and downstream decisions. We propose posterior-first neural PDE simulation: first infer a posterior over the minimal task-sufficient problem state, then condition prediction on that posterior. The resulting theory connects the object, the learning target, and the failure mode: Bayes downstream values factor through this posterior, refinement labels make it learnable by proper scoring rules, and deterministic collapse incurs an ambiguity barrier whenever the true posterior is non-Dirac. Synthetic exact-ambiguity experiments show that point-versus-posterior gaps track the predicted barrier. On metadata-hidden PDEBench tasks, posterior recovery reduces pooled rollout nRMSE from 0.175 to 0.132, closing 59.4% of the direct-to-oracle gap. These results suggest that single-observation neural PDE simulation should be posterior-first rather than monolithic field-to-future prediction.
Authors: Seunghyun Ji
Abstract: LoRA fine-tuning of diffusion transformers (DiT) on multi-style data suffers from \emph{style bleed}: a single low-rank residual cannot represent several distinct artist fingerprints, and the optimizer converges to their average. Mixture-of-experts LoRA in the HydraLoRA style replaces the up-projection with $E$ heads under a router, but when every expert is zero-initialized the router receives identical gradient from each head and remains at the uniform prior. The experts then evolve permutation-symmetrically, and the network trains as a single rank-$r$ LoRA at $E{\times}$ the cost. We present \textbf{Ortho-Hydra}, a re-parameterisation that combines an OFT-style Cayley-orthogonal shared basis with per-expert \emph{disjoint output subspaces} carved from the top-$(Er)$ left singular vectors of the pretrained weight. Disjointness makes the router's per-expert score non-degenerate at step~$0$, so specialization receives gradient signal before any expert has trained. We test the predicted deadlock on a DiT pipeline by comparing two HydraLoRA baselines, a zero-initialized shared-basis variant and the original $\sigma{=}0.1$ Gaussian-jitter mitigation, against Ortho-Hydra under a matched optimiser, dataset, and step budget. Neither baseline leaves the uniform prior within the first $1\text{k}$ steps; Ortho-Hydra begins de-uniformising within the first few hundred. End-task generation quality on multi-style data is out of scope; we report the construction, the cold-start mechanism, and the routing dynamics it changes. Code: https://github.com/sorryhyun/anima_lora.
Authors: Anna Sokol, Marianna B. Ganapini, Nitesh V. Chawla
Abstract: The rise of Large Language Models (LLMs) has sparked debate about whether these systems exhibit human-level cognition. In this debate, little attention has been paid to a structural component of human cognition: core beliefs, truths that provide a foundation around which we can build a worldview. These commitments usually resist debunking, as abandoning them would represent a fundamental shift in how we see reality. In this paper, we ask whether LLMs hold anything akin to core commitments. Using a probing framework we call Adversarial Dialogue Trees (ADTs) over five domains (science, history, geography, biology, and mathematics), we find that most LLMs fail to maintain a stable worldview. Though some recent models showed improved stability, they still eventually failed to maintain key commitments under conversational pressure. These results document an improvement in argumentative skills across model generations but indicate that all current models lack a key component of human-level cognition.
Authors: Gabriel Garcia
Abstract: Large language models often fail at simple counting tasks, even when the items to count are explicitly present in the prompt. We investigate whether this failure occurs because transformers do not represent counts internally, or because they cannot convert those representations into the correct output tokens. Across three model families, Pythia, Qwen3, and Mistral, ranging from 0.4B to 14B parameters, we find strong evidence for the second explanation. Linear probes recover the correct count from intermediate layers with near-perfect accuracy ($R^2>0.99$), showing that the information is present. However, the internal directions that encode counts are nearly orthogonal to the output-head rows for digit tokens ($|\cos|\leq0.032$). In other words, the model stores the count in a form that the digit logits do not naturally read out. We localize this failure with two interventions. Updating only the digit rows of the output head (36,864 parameters) substantially improves constrained next-token digit prediction (60.7 to 100.0% across four tasks), but it does not fix autoregressive generation. By contrast, a small LoRA intervention on attention Q/V weights (7.67M parameters) improves upstream routing and achieves 83.1% +/- 7.2% in true greedy autoregressive generation. Logit-lens measurements confirm the mechanism: the correct digit's vocabulary rank drops from 55,980 to 1, a 50,000x improvement. Additional norm, logit-lens, and cross-task analyses show that the bottleneck generalizes across character counting, addition, and list length, while remaining absent from broader multi-step reasoning benchmarks, including MMLU, GSM8K, and DROP. These results identify counting failure as a geometric readout bottleneck rather than a failure of internal representation: the model knows the count but the output pathway is geometrically misaligned with the tokens needed to express it.
Authors: Taha Bouhsine
Abstract: We introduce the Yat kernel $$k_{b,\varepsilon}(\mathbf{w},\mathbf{x})=\frac{(\mathbf{w}^\top\mathbf{x}+b)^2}{\|\mathbf{x}-\mathbf{w}\|^2+\varepsilon},\qquad b\ge 0,\ \varepsilon>0,$$ a rational hidden-unit primitive whose units are Mercer sections over a shared input/weight space. For $b\ge 0$ the kernel is PSD; for $b>0$ it dominates a scaled inverse-multiquadric (IMQ) in the Loewner order, yielding fixed-kernel universality, characteristicness, and strict positive definiteness on every compact domain. The polynomial numerator opens nonradial alignment channels absent from finite IMQ expansions, witnessed by the directional far-field trace $T_\infty g_\varepsilon(\cdot;\mathbf{w},b)(\mathbf{u})=(\mathbf{u}^\top\mathbf{w})^2$. Algebraically, a second finite difference in the bias recovers any IMQ atom from three positive-bias Yat atoms exactly, sharp at three atoms in every dimension at exact pointwise equality. A trained shared-$(b,\varepsilon)$ Yat layer is therefore a finite learned-center expansion in a fixed universal characteristic RKHS, with closed-form norm $\boldsymbol{\alpha}^\top\mathbf{K}\boldsymbol{\alpha}$ and explicit diagonal $(\|\mathbf{x}\|^2+b)^2/\varepsilon$ driving a Rademacher generalization bound.
Authors: Turan Orujlu, Jordan Matelsky, Martin V. Butz, Charley M. Wu, Konrad P. Kording
Abstract: Here we introduce Partially Observed Structural Causal Models (POSCMs) that formalize causal systems where latent contexts co-determine both the interaction structure and downstream mechanisms on observed variables. POSCMs provide an extension of structural causal models (SCMs), as a self-contained causal modeling framework for endogenous graphs, allowing for an intervention hierarchy spanning node- and edge-level context and endogenous variable interventions. To enable surgical edge interventions, we adopt a Kolmogorov-Arnold-Sprecher edge-functional decomposition, an existence theorem for representing each node mechanism as a sum of univariate functions of its parents, yielding an explicit parametrization of dyadic functional contributions. We provide an identifiability theory that clarifies which intervention families would suffice to disentangle structure formation from mechanisms. We empirically validate these predictions in a biophysically detailed virtual human retina simulator, constructing intervention protocols that (i) reproduce the non-identifiability predicted when context is latent and no context-level interventions are available, (ii) exhibit structure-mechanism confounding under latent edges when only node interventions are observed, and (iii) recover synaptic input-output relationships via targeted node interventions, consistent with our positive kernel identifiability result. Our work generalizes SCMs in a way that allows it to work in a world closer to the one we live in.
Authors: Md Raihan Uddin, Tolunay Seyfi, Fatemeh Afghah
Abstract: Automatic modulation classification (AMC) in real-world deployments demands robustness to distribution shifts arising from hardware impairments, unseen propagation environments, and recording conditions never encountered during training. Although wireless foundation models offer a promising starting point for robust RF representation learning, an important open question is how to adapt them efficiently to out-of-distribution (OOD) downstream tasks without overwriting the structure learned during large-scale pre-training. In this paper, we investigate prompt-based adaptation as a general mechanism for OOD transfer in wireless foundation models. We propose RFPrompt, a parameter-efficient framework that introduces learnable deep prompt tokens while keeping the pretrained backbone frozen, enabling task-specific adaptation with minimal trainable parameters. We instantiate and evaluate this approach on the Large Wireless Model (LWM), a mixture-of-experts wireless foundation model, and study its behavior under both standard and OOD modulation-classification settings. Results show that prompt-based adaptation consistently improves robustness under distribution shift and limited supervision, particularly on real-world over-the-air IQ data, while preserving strong parameter efficiency. These findings suggest that prompt learning is a practical and effective strategy for adapting wireless foundation models to challenging downstream RF environments.
Authors: Jingjing Zhou, Yongshuai Yang, Qing Qing, Ziqi Xu, Xikun Zhang, Renqiang Luo, Ivan Lee, Feng Xia
Abstract: Graph unlearning remains a critical technique for supporting privacy-preserving and sustainable multimodal graph learning. However, we observe that existing unlearning strategies tend to apply uniform parameter selection and editing across all graph neural network (GNN) layers, which is especially harmful for multimodal graphs where high-dimensional input projections encode dominant cross-modal knowledge. As a result, over-editing these sensitive layers often leads to catastrophic utility degradation after forgetting, undermining both stable learning and effective privacy protection. To address this gap, we propose FDQ, a Feature-Dimension Aware Quantile framework for multimodal graph unlearning. FDQ adaptively identifies high-dimensional input projection layers and applies more conservative, FDQ-guided quantile thresholds when constructing suppression sets, while keeping the underlying importance estimation mechanism unchanged. FDQ is seamlessly integrated with diagonal sensitivity-based parameter importance analysis to enable efficient node and edge unlearning under general forget requests. Through extensive experiments on Ele-Fashion and Goodreads-NC, we demonstrate that FDQ consistently achieves strong utility preservation while maintaining effective forgetting against membership inference attacks. Overall, FDQ offers a principled and robust solution for privacy-aware unlearning in high-dimensional multimodal graph systems.
Authors: Jiachen Shen, Jian Shi, Dan Wang, Han Zhu
Abstract: The European Union's Carbon Border Adjustment Mechanism (CBAM) creates a complex challenge for the interconnected European electricity market. Traditional static analyses often miss the cross-border spillover effects that are vital for understanding this policy. This paper addresses this gap by developing a spatio-temporal Graph Neural Network (GNN) framework. It quantifies how CBAM affects electricity prices and carbon intensity (CI) at the same time. We modeled a subgraph of eight European countries. Our results suggest that CBAM is not just a uniform tax. Instead, it acts as a tool that transforms the market and creates structural differences. In our simulated scenarios, we observe that low-carbon countries like France and Switzerland can gain a competitive advantage. This suggests a potential decrease in their domestic electricity prices. Meanwhile, high-carbon countries like Poland face a double burden of rising costs. We identify the primary driver as a fundamental shift in the market's merit order.
Authors: Nawapon Sangsiri, Yufei Tao
Abstract: Privacy concerns in distributed learning often lead clients to return intentionally altered gradient information. We consider the problem of learning convex and $L$-smooth functions under adversarial gradient perturbation, where a client's gradient reply to a server query can deviate arbitrarily from the true gradient subject to a distance bound. Our study focuses on two fundamental questions: (i) what is the smallest achievable sub-optimality gap (i.e., excess error in optimization) under such responses, and (ii) how many queries are sufficient to guarantee a given sub-optimality gap? We establish tight feasibility thresholds on the sub-optimality gap and provide algorithms that achieve these thresholds with provable query complexity guarantees.
Authors: Hongbo Jin, Rongpeng Zhu, Zhongjing Du, Xu Jiang, Jingqi Tian, Qiaoman Zhang, Jiayu Ding
Abstract: Reinforcement learning is crucial for aligning large language models to perform complex reasoning tasks. However, current algorithms such as Group Relative Policy Optimization suffer from coarse grained, sequence level credit assignment, which severely struggles to isolate pivotal reasoning steps within long Chain of Thought generations. Furthermore, the standard unbounded Kullback Leibler divergence penalty induces severe gradient instability and mode seeking conservatism, ultimately stifling the discovery of novel reasoning trajectories. To overcome these limitations, we introduce Distribution Guided Policy Optimization, a novel critic free reinforcement learning framework that reinterprets distribution deviation as a guiding signal rather than a rigid penalty.
Authors: Ahmadreza Eslaminia, Chuhan Cai, Cameron Smith, Ruo-Syuan Mei, Shichen Li, Rajiv Malhotra, Klara Nahrstedt, Chenhui Shao
Abstract: Additive manufacturing (AM) continues to transform modern manufacturing by enabling flexible, on-demand production of complex geometries across diverse industries. Fused filament fabrication (FFF) has extended AM to laboratories, classrooms, and small production environments, but this accessibility shifts process-planning responsibility to users who may lack manufacturing expertise. A syntactically valid slicer profile can still encode thermally or geometrically harmful settings, and subtle G-code edits can alter extrusion, cooling, or adhesion before a print begins. Pre-print G-code screening catches accidental or adversarial machine-program errors before material or machine time is wasted. This paper proposes LLM-ADAM as a generalizable LLM framework for pre-print anomaly detection in AM. The framework decomposes the task into three roles: Extractor-LLM maps a G-code file to a structured process-parameter schema; Reference-LLM converts printer and material documentation into aligned operating ranges; and Judge-LLM interprets a deterministic deviation table and G-code evidence to decide whether a part is non-defective or belongs to an anomaly class. Printers, materials, and LLM backbones are interchangeable test conditions, not fixed assumptions. We evaluate the framework on an N=200 FFF G-code corpus spanning two desktop printer families, two materials, and five classes including non-defective, under-extrusion, over-extrusion, warping, and stringing. The best framework configuration reaches 87.5% accuracy, compared with 59.5% for the strongest engineered single-LLM baseline. The results show that structured decomposition, rather than backbone strength alone, is the dominant source of improvement, with defect classes identified at or near ceiling for leading configurations while residual errors concentrate on conservative false alarms for non-defective samples.
Authors: Hahyeon Choi, Nojun Kwak
Abstract: We propose S3 (Specialization, Selection, Sparsification), a framework that rethinks multimodal learning through a structural perspective. Instead of encoding all signals into a fixed embedding, S3 decomposes multimodal inputs into semantic experts and selectively routes them for each task. Specialization forms concept-level experts in a shared latent space, Selection adapts routing for task-specific needs, and Sparsification prunes low-utility paths to yield compact, information-minimal representations. Across four MultiBench benchmarks, S3 improves accuracy and shows a consistent reverse U-shaped sparsity-performance trend, with peak performance at intermediate sparsity. These results suggest that structuring multimodal representations as selectable semantic components provides a practical and principled alternative to contrastive learning or InfoMax-driven approaches.
Authors: Gr\'egoire Lambrecht, Mathieu Lauri\`ere
Abstract: Mean Field Games (MFGs) provide a powerful framework for modeling the collective behavior of large populations of interacting agents. In this paper, we address the problem of Imitation Learning (IL) in MFGs subject to common noise, where the population distribution evolves stochastically. This stochasticity compels agents to adopt population-aware policies to respond to aggregate shocks. We formulate two distinct learning objectives: recovering a Nash equilibrium and maximizing performance against an expert population. We investigate two imitation proxies: Behavioral Cloning (BC) and Adversarial (ADV) divergence. We then establish finite-sample error bounds showing that minimizing these proxies effectively controls both the policy's exploitability and its performance gap relative to the expert. Furthermore, we propose a numerical framework using generalized Fictitious Play and Deep Learning to compute expert population-aware policies. Through experiments on three environments we demonstrate that standard population-unaware policies fail to capture the equilibrium dynamics. Our results highlight that learning population-aware policies is crucial to avoid being misled by the randomness inherent in common noise.
Authors: V\'it R\r{u}\v{z}i\v{c}ka, David R. Thompson, Jay E. Fahlen, Amanda M. Lopez, Steven Lu, Chuchu Xiang, Holly Bender, Daniel Jensen, Philip G. Brodrick, Jake Lee, Brian Bue, Daniel H. Cusworth, Luis Guanter, Adam Chlus, Andrew Thorpe, Robert O. Green
Abstract: Future imaging spectrometers will increase data volumes by orders of magnitude, requiring automated detection of trace gas point sources. We present a fully automated framework that combines machine learning-based morphological analysis with physics-based spectroscopic fitting to detect plumes without human participation. Applied to EMIT imaging spectrometer data, the system operates in two modes: "daily digest" that runs automatically on all downlinked data, flagging the largest events for immediate response, and a retrospective analysis that identifies plumes missed by prior human review. The daily digest demonstrates that a significant fraction of the largest plumes can be detected automatically with negligible false positives, while retrospective analysis suggests at least 25% of plumes may have been overlooked. In addition to the previously observed methane point sources, we extend detection to three understudied trace gases: NH3, NO2 and the first observations of carbon monoxide (CO) plume in EMIT imagery.
Authors: Zhe Li, Bicheng Ying, Zidong Liu, Haibo Yang
Abstract: Classical optimization theory establishes that zeroth-order (ZO) algorithms suffer from a dimension-dependent slowdown, with convergence rates typically scaling with the model dimension compared to first-order methods. However, in contrast to these theoretical expectations, a growing body of recent work demonstrates the successful application of ZO methods to fine-tuning Large Language Models (LLMs) with billions of parameters. To explain this paradox, we derive the one-step learning dynamics of ZO SGD, where the empirical Neural Tangent Kernel (eNTK) naturally emerges as the key term governing the learning behavior. Inspection of the eNTK produced by ZO SGD reveals that each element corresponds to the inner product of neural tangent vectors projected onto a random low-dimensional subspace. Thus, by invoking the Johnson-Lindenstrauss Lemma, our analysis shows that the fidelity of the ZO eNTK is governed primarily by the number of perturbations. Crucially, the approximation error depends on the model output size rather than the massive parameter dimension. This dimension-free property provides a theoretical justification for the scalability of ZO methods to LLMs finetuning tasks. We believe that this kernel-based framework offers a novel perspective for understanding ZO methods within the context of learning dynamics.
Authors: Rishi Raj Sahoo, Subhankar Mishra
Abstract: Graph Neural Networks (GNNs) achieve strong performance on node classification tasks but remain difficult to interpret, particularly with respect to which input features drive their predictions. Existing global GNN explainers operate at the structural level identifying recurring subgraph motifs, but none explain model behaviour globally at the level of input node attributes. We propose GRAFT, a posthoc global explanation framework that identifies class-level feature importance profiles for GNNs. The method combines diversity-guided exemplar selection, Integrated Gradients-based attribution, and aggregation to construct a global view of feature influence for each class, which can be further expressed as concise natural language rules using a large language model with self-refinement. We evaluate GRAFT across multiple datasets, architectures, and experimental settings, demonstrating its effectiveness in capturing model-relevant features, supporting bias analysis, and enabling feature-efficient transfer learning. In addition, we introduce a structured human evaluation protocol to assess the interpretability of generated rules along dimensions such as accuracy and usefulness. Our results suggest that GRAFT provides a practical and interpretable approach for analysing feature-level behaviour in GNNs, bridging quantitative attribution with human-understandable explanations.
Authors: Yi Liu
Abstract: Repeated sampling is a standard way to spend test-time compute, but its benefit is controlled by the latent distribution of correctness across examples, not by one-call accuracy alone. We study the binary correctness layer of repeated LLM inference under conditional-i.i.d. calls. One labeled call identifies the mean latent success probability; two labeled calls identify its second moment and hence the same-example correctness correlation that separates stable errors from recoverable call-level randomness. From these two moments, every fixed majority-vote budget has a sharp distribution-free two-call interval. The key technical reduction is that the infinite-dimensional moment problem has three-atom extremizers and quadratic dual certificates for every finite budget, so the bounds are exact rather than discretized or parametric. The first useful budget, three votes, has a closed form, width at most $1/8$, and a certified-improvement criterion. The infinite-vote endpoint is the limit of majority voting as the number of calls tends to infinity; it is also sharply bounded, but remains threshold-sensitive because it depends on latent mass around $q=1/2$. We add maximum-entropy and Latent-difficulty Gaussian-probit (LDGP) point completions, and experiments on LLM calls over QNLI and QQP show that empirical three- and five-vote accuracies are contained in the projected two-call regions while temperature changes and randomized model mixtures can create voting gains not ordered by one-call accuracy.
Authors: Xiao Zhang, Yafei Li, Ruixiang Wang, Wei Wei, Shuo He, Mingliang Xu
Abstract: Spatiotemporal forecasting in physical systems, such as large-scale traffic networks, requires modeling a dual dynamic: continuous macroscopic rhythms and discrete, unpredictable microscopic shocks. While Neural Ordinary Differential Equations (ODEs) excel at capturing smooth evolution, their inherent Lipschitz continuity constraints inevitably cause severe over-smoothing when confronting abrupt anomalies. Recent physics-informed methods attempt to bypass this by penalizing numerical integration errors to enforce manifold smoothness. However, we mathematically reveal that such rigid regularization inherently triggers gradient conflicts and ``attention collapse,'' stripping the model of its sensitivity to anomalies. To resolve this continuity-shock dilemma, we propose Local Truncation Error-Guided Neural ODEs (LTE-ODE). Rather than treating numerical error as a nuisance to be eliminated, we innovatively repurpose the Local Truncation Error (LTE) as an unsupervised forward inductive bias. By mapping the LTE into a dynamic spatial attention mask, our architecture gracefully preserves high-precision continuous ODE evolution in stable regions, while adaptively triggering a discrete compensation branch exclusively at shock points. Trained purely end-to-end without manifold penalties, LTE-ODE achieves state-of-the-art performance on multiple large-scale benchmarks, exhibiting exceptional robustness against highly non-linear fluctuations. Furthermore, our ablation on integration steps demonstrates high deployment flexibility, allowing the model to seamlessly adapt to varying hardware memory constraints in real-world applications.
Authors: Rishi Raj Sahoo, Jyotirmaya Shivottam, Subhankar Mishra
Abstract: Regulatory frameworks such as GDPR increasingly require that ML predictions be accompanied by post-hoc explanations, even when raw data and trained models cannot be released. Differential privacy (DP) is the standard mitigation for the residual privacy risk of releasing these explanations. We show that DP is not sufficient: an adversary observing only DP-perturbed GNN explanations can reconstruct hidden graph structure with high accuracy. Our attack, PRIVX, exploits the fact that the Gaussian DP mechanism is a single DDPM forward step at known noise level {\sigma}({\epsilon}), recasting reconstruction as reverse diffusion conditioned on the corrupted signal, a principled Bayesian denoiser under known DP corruption. We formalise a stratified adversary model parameterised by (M, \hat{\epsilon}, \hat{\delta}, S, \rho) that interpolates between oblivious and oracle attackers, and derive endpoint-matched two-sided bounds on reconstruction AUC. For practitioners, we provide regime-stratified guidance on explainer choice: on homophilic graphs, neighbourhood-aggregating explainers (GraphLIME, GNNExplainer) leak more structure than per-node gradient explainers under the same DP budget; on strongly heterophilic graphs the ordering reverses. We introduce PRIVF as an auxiliary diagnostic sharing the same diffusion backbone to decompose leakage into explainer-induced and intrinsic graph-distribution components. Experiments across seven benchmarks, three DP mechanisms, and three GNN backbones show PRIVX achieves AUC above 0.7 at {\epsilon} = 5 on five of seven datasets, with the attack succeeding well within typically deployed privacy budgets.
Authors: Onkar Jadhav, Tim French, Matthew Rayson, Nicole L. Jones
Abstract: Probabilistic super-resolution of high-dimensional spatial fields using diffusion models is often computationally prohibitive due to the cost of operating directly in pixel space. We propose PODiff, a structured conditional generative framework that performs diffusion in a fixed, variance-ordered Proper Orthogonal Decomposition (POD) coefficient space, exploiting the orthogonality of POD modes to impose an interpretable, variance-ordered latent geometry. This design enables efficient ensemble generation, preserves dominant spatial structure, and yields spatially interpretable, well-calibrated uncertainty at substantially lower computational cost. We evaluate PODiff on sea surface temperature downscaling over the West Australian coast and on a controlled advection-diffusion benchmark. PODiff achieves reconstruction accuracy comparable to pixel-space diffusion while requiring significantly less memory and producing more reliable uncertainty estimates than deterministic and Monte Carlo Dropout baselines.
Authors: Akshat Singh Jaswal, Ashish Baghel, Paras Chopra
Abstract: Reinforcement learning systems rely on environment interfaces that specify observations and reward functions, yet constructing these interfaces for new tasks often requires substantial manual effort. While recent work has automated reward design using large language models (LLMs), these approaches assume fixed observations and do not address the broader challenge of synthesizing complete task interfaces. We study RL task interface discovery from raw simulator state, where both observation mappings and reward functions must be generated. We propose LIMEN (Code available at https://github.com/Lossfunk/LIMEN), a LLM guided evolutionary framework that produces candidate interfaces as executable programs and iteratively refines them using policy training feedback. Across novel discrete gridworld tasks and continuous control domains spanning locomotion and manipulation, joint evolution of observations and rewards discovers effective interfaces given only a trajectory-level success metric, while optimizing either component alone fails on at least one domain. These results demonstrate that automatic construction of RL interfaces from raw state can substantially reduce manual engineering and that observation and reward components often benefit from co-design, as single-component optimization fails catastrophically on at least one domain in our evaluation suite.
Authors: Doojin Baek, Gyubin Lee, Junyeob Baek, Hosung Lee, Sungjin Ahn
Abstract: What does it mean to understand the world? Contemporary world models often operationalize understanding as accurate future prediction in latent or observation space. Developmental cognitive science, however, suggests a different view: human understanding emerges through the construction of internal theories of how the world works, even before mature language is acquired. Inspired by this theory-building view of cognition, we introduce Learning-to-Theorize, a learning paradigm for inferring explicit explanatory theories of the world from raw, non-textual observations. We instantiate this paradigm with the Neural Theorizer (NEO), a probabilistic neural model that induces latent programs as a learned Language of Thought and executes them through a shared transition model. In NEO, a theory is represented as an executable, compositional program whose learned primitives can be systematically recombined to explain novel phenomena. Experiments show that this formulation enables explanation-driven generalization, allowing observations to be understood in terms of the programs that generate them.
Authors: Duc Dm, Thao Do, Minh Son Hoang, Anh Le Duc Tran, Daeyoung Kim, Huy Nguyen
Abstract: Differentially private (DP) training protects individual examples by adding noise to gradients, but the injected noise interacts nontrivially with adaptive optimizers. Recent DP methods temporally filter privatized gradients to reduce variance; however, filtering also changes the DP noise statistics seen by AdamW's second-moment accumulator. As a result, bias corrections derived for unfiltered DP noise, such as subtracting sigma_w squared, can become miscalibrated when filtering is present. We propose FiBeR, a DP optimizer designed for temporally filtered privatized gradients. FiBeR (i) performs denoising in innovation space by filtering the residual stream and integrating it to form the filtered gradient estimate, (ii) decouples the two-point observation geometry from the innovation gain to enable independent tuning, and (iii) introduces a filter-aware second-moment calibration that subtracts the attenuated DP noise contribution A(omega) sigma_w squared, where A(omega) is derived in closed form for the innovation filter and can be computed for general stable linear filters. Across vision and language benchmarks, FiBeR consistently demonstrates substantial improvements in the performance of DP optimizers, surpassing state-of-the-art results under equivalent privacy constraints on multiple tasks.
Authors: Al Zadid Sultan Bin Habib, Gianfranco Doretto, Donald A. Adjeroh
Abstract: High-dimensional tabular data lacks a natural feature order, limiting the applicability of permutation-sensitive deep learning models. We propose DynaTab, a dynamic feature ordering-enabled architecture inspired by neural rewiring. We introduce a lightweight criterion that predicts when feature permutation will benefit a dataset by quantifying its intrinsic complexity. DynaTab dynamically reorders features via a neural rewiring algorithm and processes them through a compact, dynamic order-aware combination of separate learned positional embedding, importance-based gating, and masked attention layers, compatible with any sequence-sensitive backbone. Trained end-to-end with bespoke dynamic feature ordering (DFO) and dispersion losses, DynaTab achieves statistically significant gains, particularly on high-dimensional datasets, where it is benchmarked against 45 state-of-the-art baselines across 36 different real-world tabular datasets. Our results position DynaTab as a compelling new paradigm for high-dimensional tabular deep learning.
Authors: Yu-Ting Lee, Samuel Yen-Chi Chen, Fu-Chieh Chang
Abstract: Reinforcement learning is one of the most challenging learning paradigms where efficacy and efficiency gains are extremely valuable. Hierarchical reinforcement learning is a variant that leverages temporal abstraction to structure decision-making. While parametrized quantum computations have shown success in non-hierarchical reinforcement learning, whether these advantages adapt to hierarchical decision-making remains a critical open question. In this work, we develop a hybrid hierarchical agent based on the option-critic architecture. This hybrid agent substitutes classical components with variational quantum circuits for feature extractors, option-value functions, termination functions, and intra-option policies. Evaluated on standard benchmarking environments, results show that a hybrid agent utilizing a quantum feature extractor can outperform classical baselines while saving up to 66\% trainable parameters. We also identify an architectural bottleneck that quantum option-value estimation severely degrades performance. Further ablation studies reveal how architectural choices of the quantum circuits affect performance. Our work establishes design principles for parameter-efficient hybrid hierarchical agents.
Authors: Zhenghao Huang, Huilin Yao, Kaikai Wang, Lin Shu
Abstract: A fundamental role in decoding human motor intent and enabling intuitive human-computer interaction is played by electromyography (EMG). However, its generalization capability across subjects, devices, and tasks remains substantially limited by data heterogeneity, label scarcity, and the lack of a unified representational framework. To bridge this gap, we propose Any Electromyography (AEMG), the first large-scale, self-supervised representation learning framework for EMG. AEMG reconceptualizes neuromuscular dynamics linguistically, utilizing a novel Neuromuscular Contraction Tokenizer (NCT) to translate discrete muscle contractions into structural words and temporal activation patterns into coherent sentences. Furthermore, we compile the largest cross-device EMG signal vocabulary to date, enabling seamless transfer across arbitrary channel topologies and sampling rates. Experiments demonstrate that AEMG improves the zero-shot leave-one-subject-out (LOSO) accuracy by 5.79-9.25% compared to six state-of-the-art baselines, and achieves more than 90% few-shot adaptation performance with only 5% of target user data. Our work has proposed the concept of EMG signals as a cross-device physiological language, learned their grammar from massive amounts of data, and laid the groundwork for a single-training, universally applicable EMG foundation model.
Authors: Michal Valko
Abstract: The goal of this thesis is to investigate the structural properties of certain sequential problems in order to bring the solutions closer to a practical use. In the first part, we put a special emphasis on structures that can be represented as graphs on actions. In the second part, we study the large action spaces that can be of exponential size in the number of base actions or even infinite. For graph bandits, we consider the settings of smoothness of rewards (spectral bandits), side observations, and influence maximization. For large structured domains, we cover kernel bandits, polymatroid bandits, bandits for function optimization (including unknown smoothness), and infinitely many-arms bandits. The thesis aspires to be a survey of the author's contributions on graph and structured bandits.
Authors: Michal Valko
Abstract: We develop graph-based methods for semi-supervised learning based on label propagation on a data similarity graph. When data is abundant or arrive in a stream, the problems of computation and data storage arise for any graph-based method. We propose a fast approximate online algorithm that solves for the harmonic solution on an approximate graph. We show, both empirically and theoretically, that good behavior can be achieved by collapsing nearby points into a set of local representative points that minimize distortion. Moreover, we regularize the harmonic solution to achieve better stability properties. We also present graph-based methods for detecting conditional anomalies and apply them to the identification of unusual clinical actions in hospitals. Our hypothesis is that patient-management actions that are unusual with respect to the past patients may be due to errors and that it is worthwhile to raise an alert if such a condition is encountered. Conditional anomaly detection extends standard unconditional anomaly framework but also faces new problems known as fringe and isolated points. We devise novel nonparametric graph-based methods to tackle these problems. Our methods rely on graph connectivity analysis and soft harmonic solution. Finally, we conduct an extensive human evaluation study of our conditional anomaly methods by 15 experts in critical care.
Authors: Philippe Preux, R\'emi Munos, Michal Valko
Abstract: We consider function optimization as a sequential decision making problem under budget constraint. This constraint limits the number of objective function evaluations allowed during the optimization. We consider an algorithm inspired by a continuous version of a multi-armed bandit problem which attacks this optimization problem by solving the tradeoff between exploration (initial quasi-uniform search of the domain) and exploitation (local optimization around the potentially global maxima). We introduce the so-called Simultaneous Optimistic Optimization (SOO), a deterministic algorithm that works by domain partitioning. The benefit of such approach are the guarantees on the returned solution and the numerical efficiency of the algorithm. We present this machine learning approach to optimization, and provide the empirical assessment of SOO on the CEC'2014 competition on single objective real-parameter numerical optimization test-suite.
Authors: James Rowbottom, Elizabeth L. Baker, Nick Huang, Ben Adcock, Carola-Bibiane Sch\"onlieb, Alexander Denker
Abstract: Score-based diffusion models in infinite-dimensional function spaces provide a mathematically principled framework for modelling function-valued data, offering key advantages such as resolution invariance and the ability to handle irregular discretisations. However, practical implementations have struggled to fully realise these benefits. Existing backbones like Fourier neural operators are often biased towards regular grids and fail to generalise to complex domain topologies. We propose a novel architecture for function-space diffusion models that represents generalised graph convolutional kernels as finite element functions, enabling the model to naturally handle unstructured meshes and complex geometries. We demonstrate the efficacy of our network architecture through a series of unconditional and conditional sampling experiments across diverse geometries, including non-convex and multiply-connected domains. Our results show that the proposed method maintains resolution invariance and achieves high fidelity in capturing functional distributions on non-trivial geometries.
Authors: Dario Filatrella, Ragnar Thobaben, Mikael Skoglund
Abstract: We study expected generalization bounds for the Hierarchical Federated Learning (HFL) setup using Wasserstein distance. We introduce a generalized framework in which data is sampled hierarchically, and we model it with a multi-layered tree structure that induces dependencies among the clients' datasets. We derive generalization bounds in terms of Wasserstein distance under the Lipschitz assumption on the loss function, by applying a supersample construction that allows us to measure the sensitivity of the algorithm to the change of a single node in the sampling tree. By leveraging the FL structure, we recover and strictly imply existing state-of-the-art conditional mutual information (CMI) bounds in the case of bounded losses. We also show that our bound can be applied together with Differential Privacy assumptions, to recover generalization bounds based on algorithmic privacy. To assess the tightness of our bounds, we study the Gaussian Location Model (GLM) and show that we recover the actual asymptotic rate of the generalization error.
Authors: Zhao Wei, Kenneth Hor Cheng Koh, Sheng Yuan Chin, James Chun Yip Chan, Chin Chun Ooi, Yew-Soon Ong
Abstract: Solving inverse problems in dynamical systems governed by high-dimensional coupled ordinary differential equations (ODEs) is a ubiquitous challenge in scientific machine learning. In many real-world applications, researchers seek to uncover unknown parameters or model unknown dynamics even as the underlying physics is only partially characterized, and observations are sparse and limited to specific measurable channels. While physics-informed neural networks (PINNs) are ideal for inverse inference under partial observability, existing PINNs typically rely on task-specific joint optimization, which suffers from optimization difficulties and poor generalization. In this paper, we propose a meta-inverse physics-informed neural network (MI-PINN) that reformulates inverse modeling as a two-stage meta-learning problem. MI-PINN first learns a physics-aware representation across multiple tasks, and then performs inverse modeling by optimizing task-specific unknowns while keeping the learned representation fixed. This two-stage formulation significantly reduces the parameter search dimension, thereby improving sample efficiency and enabling accurate inference. To handle multi-scale dynamics common in these high-dimensional ODE systems, we further introduce an adaptive clustering-based multi-branch learning scheme. We demonstrate the effectiveness of MI-PINN on whole-body physiologically based pharmacokinetic (PBPK) models with up to 33 coupled ODEs, using paracetamol and theophylline under intravenous and oral dosing scenarios. Experimental results show that MI-PINN enables accurate recovery of masked kinetic parameters and reconstruction of missing mechanistic terms despite limited clinical observations.
Authors: Fabian A Mikulasch, Friedemann Zenke
Abstract: Self-supervised learning (SSL) excels at finding general-purpose latent representations from complex data, yet lacks a unifying theoretical framework that explains the diverse existing methods and guides the design of new ones. We cast SSL as latent distribution matching (LDM): learning representations that maximize their log-probability under an assumed latent model (alignment), while maximizing latent entropy to prevent collapse (uniformity). This view unifies independent component analysis with contrastive, non-contrastive, and predictive SSL methods, including stop gradient approaches. Leveraging LDM, we derive a nonlinear, sampling-free Bayesian filtering model with a Kalman-based predictor for high-dimensional timeseries. We further prove that predictive LDM yields identifiable latent representations under mild assumptions, even with nonlinear predictors. Overall, LDM clarifies the assumptions behind established SSL methods and provides principled guidance for developing new approaches.
Authors: Hao Zhou, Rui Zhang, Han Wan, Hao Sun
Abstract: Reconstructing PDE-governed fields from sparse and irregular measurements is challenging due to their ill-posed nature. Deterministic surrogates are trained on dense fields that struggle with limited measurements and uncertainty quantification. Generative models, by learning distributions over spatiotemporal fields, can better handle sparsity and uncertainty. However, existing generative approaches enforce data consistency and PDE constraints simultaneously via sampling-time gradient guidance, resulting in slow and unstable inference. To this end, we propose PerFlow, a Physics-embedded rectified Flow for efficient sparse reconstruction and uncertainty quantification of spatiotemporal dynamics. PerFlow decouples observation conditioning from physics enforcement, performing guidance-free conditioning by feeding observations into rectified-flow dynamics while embedding hard physics via a constraint-preserving projection (e.g., incompressibility or conservation). Theoretically, we establish invariance guarantees to ensure that trajectories remain on the physics-consistent manifold throughout sampling. Experiments on various PDE systems demonstrate competitive reconstruction accuracy with sound physics consistency, while enabling efficient conditional sampling (e.g., 50 steps) and up to 320 faster inference than 2000-step guided diffusion baselines.
Authors: Zijiang Yang
Abstract: With the increase of the Electronic Health Records (EHR) data, more and more researchers are developing machine learning models to learn from the medical notes. These unstructured text data pose significant challenges on the learning process as the quality of data is low. These data are often messy, repetitive and redundant. We have shown these notes data to be informative by conducting the after-discharge mortality rate prediction task. The AUC-ROC for models using the medical note information is generally 0.1 higher than those without the medical notes. Furthermore, we propose the Deep Neural Network(DNN) model with 'pooling' mechanism to enhance the mortality prediction. Based on the experimental results, we demonstrate that the proposed model outperforms the traditional machine learning models like the tree-based models. The proposed method learns from the most informative medical notes and improves the prediction accuracy significantly. The AUC-ROC for the proposed model is 2% to 14% higher than the traditional ones in 15-days, 30-days, 60-days, 365-days after-discharge mortality prediction tasks. Moreover, we can discover some interesting knowledge through the traditional and proposed models. These knowledge are inspiring but also consistent with the previous findings. The models are able to reveal the relationships between the informative keywords and documents from the medical notes and the severity of the patients.
Authors: Jorge L. Ruiz Williams
Abstract: KV-cache quantizers usually optimize storage-space reconstruction, even though attention reads keys through logits and values through attention-weighted readout. We argue that persistent cache error should be measured in model-visible coordinates. For keys, the visible object is score error modulo constant shifts; this yields HeadQ, a key-side method that stores a low-rank residual side code in a calibration-learned query basis and applies it as an additive logit correction. For values, fixed-attention readout gives an $A^2$-weighted token-distortion surrogate. Across six models, Fisher/score-space error predicts attention KL far better than raw key MSE; same-budget counterexamples, null-space interventions, query-PCA controls, and wrong-sign HeadQ falsify storage-MSE alternatives. Matched Pythia checkpoints localize the main anomaly to a small-model low-entropy route-flip boundary. In K-only WikiText-103 decode experiments with dense values, HeadQ removes roughly $84$--$94\%$ of the excess perplexity on the strongest 2-bit rows; in an auxiliary full-KV 2-bit composition, HeadQ plus an $A^2$ value policy improves all six models.
Authors: He Lyu, Huolin Zeng, Junren Wang, Huazhen Yang, Linchao He, Yong Chen, Zhirui Li, Andreas Maier, Siming Bayer, Huan Song
Abstract: Real-world clinical data is inherently multimodal, providing complementary evidence that mirrors the practical necessity of jointly assessing multiple related outcomes. Although multi-task learning can improve efficiency by sharing information across outcomes, existing approaches often fail to balance shared representation learning with outcome-specific modeling. Hard parameter sharing can trigger negative transfer when task gradients conflict, while flexible sharing may still entangle shared and task-specific signals. To address this, we propose a multi-task framework built on a unified Transformer for multimodal fusion, augmented with Orthogonal Task Decomposition (OrthTD) to split patient representations into shared and task-specific subspaces and impose a geometric orthogonality constraint to reduce redundancy and isolate task-specific signals. We evaluated OrthTD on a real-world cohort of 12,430 surgical patients for predicting four outcomes. OrthTD achieved average AUC (area under the receiver operating characteristic curve) of 87.5% and average AUPRC (area under the precision-recall curve) of 37.2%, consistently outperformed advanced tabular and multi-task methods. Notably, OrthTD achieves substantial gains in AUPRC, indicating superior performance in identifying rare events within imbalanced clinical data. These results suggest that enforcing non-redundant shared and task-specific representations can improve multi-outcome prediction from multimodal clinical data.
Authors: Francesco Ruscelli, Ferdinando Zanchetta, Rita Fioresi
Abstract: We introduce a general framework for training flow matching models on Riemannian symmetric spaces, a large class of manifolds that includes the sphere, hyperbolic space and Grassmannians. We exploit their algebraic structure to reformulate flow matching on symmetric spaces as flow matching on a subspace of the Lie algebra of their isometry group, thus linearizing the problem and greatly simplifying the handling of geodesics. As an application, we showcase our framework on the real Grassmannians $\operatorname{SO}(n) / \operatorname{SO}(k) \times \operatorname{SO}(n-k)$.
Authors: Moritz Grillo, Guido Mont\'ufar
Abstract: We study the realization map of deep ReLU networks, focusing on when a function determines its parameters up to scaling and permutation. To analyze hidden redundancies beyond these standard symmetries, we introduce a framework based on weighted polyhedral complexes. Our main result shows that for every architecture whose input and hidden layers have width at least two, there exists an open set of identifiable parameters. This implies that the functional dimension of every such architecture is exactly the number of parameters minus the number of hidden neurons. We further show that minimal functional representations can still have non-trivial parameter redundancies. Finally, we establish a generic depth hierarchy, whereby for an open set of parameters the realized function cannot be represented generically by any shallower network.
Authors: Zhiqi Li, Duowen Chen, Yuchen Sun, Bo Zhu
Abstract: We propose a unified, few-step generative modeling framework based on \emph{cumulative flow maps} for long-range transport in probability space, inspired by flow-map techniques for physical transport and dynamics. At its core is a cumulative-flow abstraction that connects local, instantaneous updates with finite-time transport, enabling generative models to reason about global state transitions. This perspective yields a unified few-step framework built on cumulative transport and \revise{cumulative} parameterization that applies broadly to existing diffusion- and flow-based models without being tied to a specific prediction \revise{instantiation}. Our formulation supports few-step and even one-step generation while preserving synthesis quality, requiring only minimal changes to time embeddings and training objectives, and no increase in model capacity. We demonstrate its effectiveness across diverse tasks, including image generation, geometric distribution modeling, joint prediction, and SDF generation, with reduced inference cost.
Authors: Maximilian Nothnagel, Bernhard C. Geiger
Abstract: Information plane (IP) analysis has been suggested to study the training dynamics of deep neural networks through mutual information (MI) between inputs, representations, and targets. However, its statistical validity is often compromised by the difficulty of estimating MI from samples of high-dimensional, deterministic representations. In this work, we perform IP analyses on binary neural networks (BNNs) where activations are discrete and MI is finite. We characterise the finite-sample behaviour of the plug-in entropy estimator and identify regimes for sample size $N$ and representation dimensionality $D$ under which MI estimates are reliable. Outside these regimes, we show that empirical MI estimates saturate to $\log_2 N$, rendering IP trajectories uninformative. Restricting attention to the reliable regime, we train 375 BNNs to investigate the existence of late-stage compression phases and the relationship between compressed representations and generalisation performance. Our results show that while late-stage compression is frequently observed, compressed latent representations do not consistently correlate with improved generalization performance. Instead, the relationship between compression and generalisation is highly dependent on task, architecture, and regularisation.
Authors: Jiaxi Li, Lu Yin, Li Shen, Jinjin Xu, Yuhui Liu, Wenwu Wang, Shiwei Liu, Xilu Wang
Abstract: Large Language Models (LLMs) have achieved remarkable capabilities, but their immense computational demands during training remain a critical bottleneck for widespread adoption. Low-rank training has received attention in recent years due to its ability to significantly reduce training memory usage. Meanwhile, applying 2:4 structured sparsity to weights and activations to leverage NVIDIA GPU support for 2:4 structured sparse format has become a promising direction. However, existing low-rank methods often leave activation matrices in full-rank, which dominates memory consumption and limits throughput during large-batch training. Furthermore, directly applying sparsity to weights often leads to non-negligible performance degradation. To achieve efficient pre-training of LLMs, this paper proposes ELAS: Efficient pre-training of Low-rank LLMs via 2:4 Activation Sparsity, a novel framework for low-rank models via 2:4 activation sparsity. ELAS applies squared ReLU activation functions to the feed-forward networks in low-rank models and implements 2:4 structured sparsity on the activations after the squared ReLU operation. We evaluated ELAS through pre-training experiments on LLaMA models ranging from 60M to 1B parameters. The results demonstrate that ELAS maintains performance with minimal degradation after applying 2:4 activation sparsity, while achieving training and inference acceleration. Moreover, ELAS reduces activation memory overhead, particularly with large batch sizes. Code is available at ELAS Repo.
Authors: Wenjin Hou, Shangpin Peng, Weinong Wang, Zheng Ruan, Yue Zhang, Zhenglin Zhou, Mingqi Gao, Yifei Chen, Kaiqi Wang, Hongming Yang, Chengquan Zhang, Zhuotao Tian, Han Hu, Yi Yang, Fei Wu, Hehe Fan
Abstract: On-policy distillation (OPD) has recently emerged as an effective post-training paradigm for consolidating the capabilities of specialized expert models into a single student model. Despite its empirical success, the conditions under which OPD yields reliable improvement remain poorly understood. In this work, we identify two fundamental bottlenecks that limit effective OPD: insufficient exploration of informative states and unreliable teacher supervision for student rollouts. Building on this insight, we propose Uni-OPD, a unified OPD framework that generalizes across Large Language Models (LLMs) and Multimodal Large Language Models (MLLMs), centered on a dual-perspective optimization strategy. Specifically, from the student's perspective, we adopt two data balancing strategies to promote exploration of informative student-generated states during training. From the teacher's perspective, we show that reliable supervision hinges on whether aggregated token-level guidance remains order-consistent with the outcome reward. To this end, we develop an outcome-guided margin calibration mechanism to restore order consistency between correct and incorrect trajectories. We conduct extensive experiments on 5 domains and 16 benchmarks covering diverse settings, including single-teacher and multi-teacher distillation across LLMs and MLLMs, strong-to-weak distillation, and cross-modal distillation. Our results verify the effectiveness and versatility of Uni-OPD and provide practical insights into reliable OPD.
Authors: Mahmoud Hanouneh, Radu Timofte, Dmitry Ignatov
Abstract: Automated Machine Learning (AutoML) frameworks increasingly leverage Large Language Models (LLMs) for tasks such as hyperparameter optimization and neural architecture code generation. However, current LLM-based approaches focus on generative outputs and evaluate them by training the produced artifacts. Whether LLMs can learn to reason about neural network performance across datasets remains underexplored. We present a classification task integrated into the NNGPT framework, in which a fine-tuned LLM predicts which of two image classification datasets a given neural network architecture achieves higher accuracy on. The task is built on the LEMUR dataset, which provides standardized PyTorch implementations with reproducible performance metrics. Three prompt configurations of increasing difficulty are evaluated: a normalized-accuracy baseline (trivially reaching 100%), a metadata-enriched prompt replacing accuracies with dataset properties, and a code-only prompt presenting only architecture source code and dataset names. Using DeepSeek-Coder-7B-Instruct fine-tuned with LoRA, the code-only prompt reaches 80% peak accuracy over 15 epochs, while the metadata prompt peaks at 70%. Perdataset analysis reveals complementary strengths: metadata excels for datasets with distinctive properties (CelebAGender at 90.9%) but degrades for overlapping characteristics, whereas the code-only prompt shows more balanced performance. A comparison with DeepSeek-Coder1.3B confirms that model capacity affects this form of architectural reasoning. The results establish that LLMs can be fine-tuned to predict cross-dataset suitability from neural network code, suggesting that architecture source code contains richer discriminative signal than dataset metadata alone.
Authors: Filip Kronstr\"om, Alexander H. Gower, Daniel Brunns{\aa}ker, Ievgeniia A. Tiukova, Ross D. King
Abstract: We present a method for finding hierarchy-aware embeddings of knowledge graphs (KGs) using graph neural networks (GNNs) enriched with a semantic loss derived from underlying ontologies. This method yields embeddings that better reflect domain knowledge. To demonstrate their utility, we predict and interpret the effects of gene deletions in the yeast Saccharomyces cerevisiae and learn box embeddings for KGs in the absence of a prediction task. We further show how box embeddings can serve as the basis for evaluating KG revisions. Our yeast KG is constructed from community databases and ontology terms. Low-dimensional box embeddings combined with GNNs are used to predict cell growth for double gene knockouts. Over 10-fold cross validation, these predictions have a mean $R^2$~score~of~0.360, significantly higher than baseline comparisons, demonstrating that high-level qualitative knowledge is informative about experimental outcomes. Incorporating semantic loss terms in the training of the models improves their predictive performance ($R^2$=0.377) by aligning embeddings with ontology structure. This shows that class hierarchies from ontologies can be exploited for quantitative prediction. We also test the trained models on triple gene knockouts, showing they generalise to data beyond those seen in training. Additionally, by identifying co-occurring relations in the yeast KG important for the cell-growth predictions, we construct hypotheses about interacting traits in yeast. A biological experiment validates one such finding, revealing an association between inositol utilisation and osmotic stress resistance, highlighting the model's potential to guide biological discovery.
Authors: Meng Xiang, Yan Pei
Abstract: We propose Evolutionary Dynamic Loss (EDL), a framework that learns a transferable classification loss in the probability space using unlimited synthetic prediction-label pairs, without accessing real samples during the main loss pretraining stage. EDL parameterizes the loss as a lightweight network and is trained with a semantics-free ranking-consistency objective that assigns larger penalties for more erroneous predictions. To robustly explore the space of loss functions, we optimize EDL via an evolutionary strategy and introduce chaotic mutation to improve exploration under noisy fitness evaluations. Experiments on CIFAR-10 with ResNet backbones show that EDL can serve as a drop-in replacement for cross-entropy and achieves competitive or improved accuracy, while ablation studies confirm that chaotic mutation yields faster convergence and better synthetic pretraining metrics than standard Gaussian mutation.
Authors: Juneyoung Park
Abstract: A recent landscape analysis of LoRA fine-tuning in the neural tangent kernel regime establishes a sufficient condition $r(r+1)/2 > KN$ on the LoRA rank $r$ for the absence of spurious local minima under squared-error loss, prescribing $r \geq 12$ on canonical few-shot RoBERTa setups. The condition is stated for general output dimension $K$, so its sharpness in any particular regime, and its practical implication for the cross-entropy loss actually used in fine-tuning, are open. We give three results that together reduce the prescribed rank to $r = 1$ for binary classification in this regime. First, replacing the symmetric Sard-form count with the non-symmetric LoRA manifold dimension yields a strictly weaker capacity requirement, $r(m+n) - r^2 > C^* \cdot KN$ with $C^* \approx 1.35$ under Gaussian-iid features, satisfied at $r = 1$ on canonical setups. Second, in the cross-entropy setting the Polyak--\L{}ojasiewicz inequality removes the rank threshold entirely. Third, a Rademacher-complexity bound predicts rank-one variance optimality precisely when the bias term is saturated, which is the case for binary classification but not for $K > 2$. Empirically, across four GLUE-style binary tasks, three encoder architectures, and at scale on RoBERTa-large, rank one is competitive with the existing prescription $r = 12$; on multi-class MNLI the optimal rank shifts above one, also as predicted. The binary-regime guarantees are conditional on standard NTK assumptions; the multi-class extension is left to future work.
Authors: Marco Mustafa Mohammed, Fatemeh Daneshfar, Pietro Li\`o
Abstract: Evidential Deep Learning (EDL) enables single-pass uncertainty estimation by predicting Dirichlet evidence, but it can remain overconfident and poorly calibrated, and it often fails to represent multi-modal epistemic uncertainty. We introduce Gated Evidential Mixtures (GEM), a family of models that learns an in-model energy signal and uses it to gate evidential outputs end-to-end in a distance-informed manner. GEM-CORE learns a feature-level energy and maps it to a bounded gate that smoothly suppresses evidence when support is low. To capture epistemic multi-modality without multi-pass ensembling, GEM-MIX adds a lightweight mixture of evidential heads with learned routing weights while preserving single-pass inference. Finally, GEM-FI stabilizes mixture allocations via a Fisher-informed regularizer, reducing head collapse and producing smoother boundary uncertainty. Across image classification and OOD detection benchmarks, GEM improves calibration and ID/OOD separation with single-pass inference. On CIFAR-10, GEM-FI vs. DAEDL improves accuracy from 91.11 to 93.75 (+2.64 pp), reduces Brier x100 from 14.27 to 6.81 (-7.46), and also improves misclassification-detection AUPR from 99.08 to 99.94 (+0.86). For epistemic OOD detection, GEM-FI achieves AUPR/AUROC of 92.59/95.09 on CIFAR-10 to SVHN and 90.20/89.06 on CIFAR-10 to CIFAR-100, compared with 85.54/89.30 and 88.19/86.10 for DAEDL.
Authors: Stefana-Lucia Anita, Gabriel Turinici
Abstract: Multi Armed Bandit (MAB) algorithms are a cornerstone of reinforcement learning and have been studied both theoretically and numerically. One of the most commonly used implementation uses a softmax mapping to prescribe the optimal policy and served as the foundation for downstream algorithms, including REINFORCE. Distinct from vanilla approaches, we consider here the L2 regularized softmax policy gradient where a quadratic term is subtracted from the mean reward. Previous studies exploiting convexity failed to identify a suitable theoretical framework to analyze its convergence when the regularization parameter vanishes. We prove here theoretical convergence results and confirm empirically that this regime makes the L2 regularization numerically advantageous on standard benchmarks.
Authors: Jinghui Yuan, Jiaxuan Zou, Shuo Wang, Yong Liu, Feiping Nie
Abstract: Matrix-based optimizers have demonstrated immense potential in training Large Language Models (LLMs), however, designing an ideal optimizer remains a formidable challenge. A superior optimizer must satisfy three core desiderata: efficiency, achieving Muon-like preconditioning to accelerate optimization; stability, strictly adhering to the scale-invariance inherent in neural networks; and speed, minimizing computational overhead. While existing methods address these aspects to varying degrees, they often fail to unify them, either incurring prohibitive computational costs like Muon, or allowing radial jitters that compromise stability like RMNP. To bridge this gap, we propose Nora, an optimizer that rigorously satisfies all three requirements. Nora achieves training stability by explicitly stabilizing weight norms and angular velocities through row-wise momentum projection onto the orthogonal complement of the weights. Simultaneously, by leveraging the block-diagonal dominance of the Transformer Hessian, Nora effectively approximates structured preconditioning while maintaining an optimal computational complexity of $\mathcal{O}(mn)$. Furthermore, we prove that Nora is a scalable optimizer and establish its corresponding scaling theorems. With a streamlined implementation requiring only two lines of code, our preliminary experiments validate Nora as an efficient and highly promising optimizer for large-scale training.
Authors: Hao Yan, Haolin Yang, Yiqiao Zhong
Abstract: Transformers are effective at inferring the latent task from context via two inference modes: recognizing a task seen during training, and adapting to a novel one. Recent interpretability studies have identified from middle-layer representations task-specific directions, or task vectors, that steer model behavior. However, a lack of rigorous foundations hinders connecting internal representations to external model behavior: existing work fails to explain how task-vector geometry is shaped by the training distribution, and what geometry enables out-of-distribution (OOD) generalization. In this paper, we study these questions in a controlled synthetic setting by training small transformers from scratch on latent-task sequence distributions, which allows a principled mathematical characterization. We show that two inference modes can coexist within a single model. In-distribution behavior is governed by Bayesian task retrieval, implemented internally through convex combinations of learned task vectors. OOD behavior, by contrast, arises through extrapolative task learning, whose representations occupy a subspace nearly orthogonal to the task-vector subspace. Taken together, our results suggest that task-vector geometry, training distributions, and generalization behaviors are closely related.
Authors: Nourin Jahan, Madhurima Panja, Muhammed Navas T, Tanujit Chakraborty
Abstract: Urban air quality forecasting is challenging because pollutant concentrations are nonlinear, nonstationary, spatiotemporally dependent, and often affected by anomalous observations caused by traffic congestion, industrial emissions, and seasonal meteorological variability. This study proposes a Graph Convolutional Support Vector Regression (GCSVR) framework for robust spatiotemporal forecasting of urban air pollution. The model combines graph convolutional learning to capture inter-station spatial dependence with support vector regression to model nonlinear temporal dynamics while reducing sensitivity to outlier observations. The proposed framework is evaluated using air quality records from 37 monitoring stations in Delhi and 18 stations in Mumbai, representing inland and coastal metropolitan environments in India. Forecasting performance is assessed across multiple horizons and compared with established temporal and spatiotemporal benchmarks. The results show that GCSVR consistently improves predictive accuracy and maintains stable performance across seasons and outlier-prone pollution episodes. Statistical test further confirms the reliability of the proposed approach across the two cities. Finally, conformal prediction is integrated with GCSVR to generate calibrated prediction intervals, enhancing its practical value for uncertainty-aware air quality monitoring and public health decision-making.
Authors: Dan Tsir Cohen, Steve Hanneke, Aryeh Kontorovich
Abstract: We study strong universal Bayes-consistency in the realizable setting for learning with general metric losses, extending classical characterizations beyond $0$-$1$ classification \citep{bousquet_theory_2021, hanneke2021universalbayesconsistencymetric} and real-valued regression \citep{attias_universal_2024}. Given an instance space $(\mathcal X,\rho)$, a label space $(\mathcal Y,\ell)$ with possibly unbounded loss, and a hypothesis class $\mathcal H \subseteq \mathcal Y^{\mathcal X}$, we resolve the realizable case of an open problem presented in \citet{pmlr-v178-cohen22a}. Specifically, we find the necessary and sufficient conditions on the hypothesis class $\mathcal H$ under which there exists a distribution-free learning rule whose risk converges almost surely to the best-in-class risk (which is zero) for every realizable data-generating distribution. Our main contribution is this sharp characterization in terms of a combinatorial obstruction: Similarly to \citet{attias2024optimallearnersrealizableregression}, we introduce the notion of an infinite non-decreasing $(\gamma_k)$-Littlestone tree, where $\gamma_k \to \infty$. This extends the Littlestone tree structure used in \citet{bousquet_theory_2021} to the metric loss setting.
Authors: Ryan King, Conrad Krueger, Ethan Veselka, Tianbao Yang, Bobak J. Mortazavi
Abstract: In recent years, machine learning has made significant progress in clinical outcome prediction, demonstrating increasingly accurate results. However, the substantial resources required for hospitals to train these models, such as data collection, labeling, and computational power, limit the feasibility for smaller hospitals to develop their own models. An alternative approach involves transferring a machine learning model trained by a large hospital to smaller hospitals, allowing them to fine-tune the model on their specific patient data. However, these models are often trained and validated on data from a single hospital, raising concerns about their generalizability to new data. Our research shows that there are notable differences in measurement distributions and frequencies across various regions in the United States. To address this, we propose a benchmark that tests a machine learning model's ability to transfer from a source domain to different regions across the country. This benchmark assesses a model's capacity to learn meaningful information about each new domain while retaining key features from the original domain. Using this benchmark, we frame the transfer of a machine learning model from one region to another as a domain incremental learning problem. While the task of patient outcome prediction remains the same, the input data distribution varies, necessitating a model that can effectively manage these shifts. We evaluate two popular domain incremental learning methods: data replay, which stores examples from previous data sources for fine-tuning on the current source, and Elastic Weight Consolidation (EWC), a model parameter regularization method that maintains features important for both data sources.
Authors: Sergei Garmaev, Maurice Gauch\'e, Olga Fink
Abstract: Symbolic regression aims to discover interpretable equations from data, yet modern gradient-based methods fail for operators that introduce singularities or domain constraints, including division, logarithms, and square roots. As a result, Equation Learner-type models typically avoid these operators or impose restrictions, e.g. constraining denominators to prevent poles, which narrows the hypothesis class. We propose a complex weight extension of the Equation Learner that mitigates real-valued optimization pathologies by allowing optimization trajectories to bypass real-axis degeneracies. The proposed approach converges stably even when the target expression has real-domain poles, and it enables unconstrained use of operations such as logarithm and square root. We Validate the method on symbolic regression benchmarks and show it can recover singular behavior from experimental frequency response data.
Authors: Ryan King, Gang Li, Bobak Mortazavi, Tianbao Yang
Abstract: Contrastive Language-Image Pretraining (CLIP) models excel at understanding image-text relationships but struggle with adapting to new data without forgetting prior knowledge. To address this, models are typically fine-tuned using both new task data and a memory buffer of past tasks. However, CLIP's contrastive loss suffers when the memory buffer is small, leading to performance degradation on previous tasks. We propose a memory-efficient, distributionally robust method that dynamically reweights losses per class during training. Our approach, tested on class incremental settings (CIFAR-100, ImageNet1K) and a domain incremental setting (DomainNet) adapts CLIP models quickly while minimizing catastrophic forgetting, even with minimal memory usage.
Authors: Hassan Dbouk, Nidham Gazagnadou, Matthias Reisser, Christos Louizos
Abstract: We investigate the effectiveness of adaptive zeroth-order (ZO) optimization for memory-constrained fine-tuning of large language models (LLMs). Contrary to prior claims, we show that adaptive ZO methods such as ZO-Adam offer no convergence advantage over well-tuned ZO-SGD, while incurring significant memory overhead. Our analysis reveals that in high dimensions, ZO gradients lack coordinate-wise heterogeneity, rendering adaptive mechanisms memory inefficient. Leveraging this insight, we propose MEAZO, a memory-efficient adaptive ZO optimizer that tracks only a single scalar for global step size adaptation. We support our method with theoretical convergence guarantees under standard assumptions. Experiments across multiple LLM families and tasks demonstrate that MEAZO matches ZO-Adam's performance with the memory footprint of ZO-SGD. Additional experiments on synthetic quadratic problems and LLM fine-tuning further demonstrate MEAZO's enhanced robustness to step size choices, particularly in grouped or block-structured optimization settings.
Authors: Laurits Dixen, Stefan Heinrich, Paolo Burelli
Abstract: Classification of EEG signals using shallow Convolutional Neural Networks (CNNs) is a prevalent and successful approach across a variety of fields. Most of these models use independent one-dimensional (1D) convolutional layers along the spatial and temporal dimensions, which are concatenated without a non-linear activation layer between. In this paper, we investigate an alternative encoding that operates a bi-dimensional (2D) spatiotemporal convolution. While 2D convolutions are numerically identical to two concatenated 1D convolutions along the two dimensions, the impact on learning is still uncertain. We test 1D and 2D CNNs and a CNN+transformer hybrid model in a low-dimensional (3-channel) and a high-dimensional (22-channel) BCI motor imagery classification task. We observe that 2D convolutions significantly reduce training time in high-dimensional tasks while maintaining performance. We investigate the root of this improvement and find no difference in spectral feature importance. However, a clear pattern emerges in representational similarity across models: 1D and 2D models yield vastly different representational geometries. Overall, we suggest an improved model with a 2D convolutional layer for faster training and inference. We also highlight the importance of architecturally-driven encoding when processing complex multivariate signals, as reflected in internal representations rather than purely in performance metrics.
Authors: Pasquale Ardimento, Mario Luca Bernardi, Marta Cimitile, Samuele Latorre
Abstract: This paper presents a reproducible and process-aware pipeline for predictive monitoring of clinical pathways. The approach integrates data lifting, temporal reconstruction, event log construction, prefix-based representations, and predictive modeling to support continuous reasoning on partially observed patient trajectories, overcoming the limitations of traditional retrospective process mining. The framework is evaluated on COVID-19 clinical pathways using ICU admission as the prediction target, considering 4,479 patient cases and 46,804 prefixes. Predictive models are trained and evaluated using a case-level split, with 896 patients in the test set. Logistic Regression achieves the best performance (AUC 0.906, F1-score 0.835). A detailed prefix-based analysis shows that predictive performance improves progressively as new clinical events become available, with AUC increasing from 0.642 at early stages to 0.942 at later stages of the pathway. The results highlight two key findings: predictive signals emerge progressively along clinical pathways, and process-aware representations enable effective early risk estimation from evolving patient trajectories. Overall, the findings suggest that predictive monitoring in healthcare is best conceived as a continuous, dynamically aware process, in which risk estimates are progressively refined as the patient journey evolves.
Authors: Cyrille Kone, Kevin Jamieson
Abstract: We study the $(\varepsilon, \delta)$-PAC policy identification problem in finite-horizon episodic Markov Decision Processes. Existing approaches provide finite-time guarantees for approximate settings ($\varepsilon>0$) but suffer from high computational cost, rendering them hard to implement, and also suffer from suboptimal dependence on $\log(1/\delta)$. We propose a randomized and computationally efficient algorithm for best policy identification that combines posterior sampling with an online learning algorithm to guide exploration in the MDP. Our method achieves asymptotic optimality in sample complexity, also in terms of posterior contraction rate, and runs in $O(S^2AH)$ per episode, matching standard model-based approaches. Unlike prior algorithms such as MOCA and PEDEL, our guarantees remain meaningful in the asymptotic regime and avoid sub-optimal polynomial dependence on $\log(1/\delta)$. Our results provide both theoretical insights and practical tools for efficient policy identification in tabular MDPs.
Authors: Stanislav Kirpichenko, Andrei Konstantinov, Lev Utkin
Abstract: Survival analysis on tabular data is a well-studied problem. However, existing deep learning methods are often highly task-specific, which can limit the transfer of new approaches from other domains and introduce constraints that may affect performance. We propose TabSurv, an approach that adapts modern tabular architectures to survival analysis using either the Weibull distribution or non-parametric survival prediction. TabSurv optimizes SurvHL, a novel histogram loss function supporting censored data. In addition to a baseline feed-forward network, we implement deep ensembles of MLPs for survival analysis within TabSurv. In contrast to prior work, the ensemble components are trained in parallel, optimizing survival distribution parameters before averaging, which promotes diversity across ensemble component predictions. We perform a comprehensive empirical evaluation of different proposed architectures on 10 diverse real-world survival datasets. Our results show that TabSurv consistently outperforms on average established classical and deep learning baselines, such as RSF, DeepSurv, DeepHit, SurvTRACE. Notably, deep ensembles with Weibull parametrization instead of non-parametric models achieve the highest average rank by C-index. Overall, our study clarifies how modern tabular neural networks can be adapted and trained to tackle survival analysis problems, offering a strong and reliable approach. The TabSurv implementation is publicly available.
Authors: Tianyu Wang, Luhao Zhang, Rachel Cummings
Abstract: Standard differential privacy imposes uniform privacy constraints across all features, overlooking the inherent distinction between sensitive and insensitive features in practice. In this paper, we introduce a relaxed definition of differential privacy that accounts for such heterogeneity, allowing certain features to be treated as insensitive even when correlated with sensitive ones. We propose a correlation-aware framework, $\textsf{CorrDP}$, which relaxes privacy for insensitive features while accounting for their correlations with sensitive features, with the correlations quantified using total variation distance. We design algorithms for differentially private empirical risk minimization (DP-ERM) under the $\textsf{CorrDP}$ framework, incorporating distance-dependent noise into gradients for improved theoretical utility guarantees. When the correlation distance is unknown, we estimate it from the dataset and show that it achieves a comparable privacy-utility guarantee. We perform experiments on synthetic and real-world datasets and show that $\textsf{CorrDP}$-based DP-ERM algorithms consistently outperform the standard DP framework in the presence of insensitive features.
Authors: Skye Gunasekaran, T\'ea Wright, Rui-Jie Zhu, Jason Eshraghian
Abstract: Several recent Transformer architectures expose later layers to representations computed in the earliest layers, motivated by the observation that low-level features can become harder to recover as the residual stream is repeatedly transformed through depth. The cheapest among these methods add static value residuals: learned mixing coefficients that expose the first-layer value projection V_1 uniformly across tokens and heads. More expressive dense or dynamic alternatives recover finer-grained access, but at higher memory cost and lower throughput. The usefulness of V_1 is unlikely to be constant across tokens, heads, and contexts; different positions plausibly require different amounts of access to early lexical or semantic information. We therefore treat early-representation reuse as a retrieval problem rather than a connectivity problem, and introduce Selective Access Transformer (SATFormer), which preserves the first-layer value pathway while controlling access with a context-dependent gate. Across models from 130M to 1.3B parameters, SATFormer consistently improves validation loss and zero-shot accuracy over the static value-residual and Transformer baselines. Its strongest gains appear on retrieval-intensive benchmarks, where it improves over static value residuals by approximately 1.5 average points, while maintaining throughput and memory usage close to the baseline Transformer. Gate analyses suggest sparse, depth-dependent, head-specific, and category-sensitive access patterns, supporting the interpretation that SATFormer learns selective reuse of early representations rather than uniform residual copying. Our code is available at https://github.com/SkyeGunasekaran/SATFormer.
Authors: Eszter Varga-Umbrich, Shikha Surana, Paul Duckworth, Jules Tilly, Olivier Peltre, Zachary Weller-Davies
Abstract: Training machine learning interatomic potentials (MLIPs) for reactive chemistry is often bottlenecked by the high cost of quantum chemical labels and the scarcity of transition state configurations in candidate pools. Active learning (AL) can mitigate these costs, but its effectiveness hinges on the acquisition rule. We investigate whether the latent space of a pretrained MLIP already contains the information necessary for effective acquisition, eliminating the need for auxiliary uncertainty heads, Bayesian training and fine-tuning, or committee ensembles. We introduce two acquisition signals derived directly from a pretrained MACE potential: a finite-width neural tangent kernel (NTK) and an activation kernel built from hidden latent space features. On reactive-chemistry benchmarks, both kernels consistently outperform fixed-descriptor baselines, committee disagreement, and random acquisition, reducing the data required to reach performance targets by an average of 38% for energy error and 28% for force error. We further show that the pretrained model induces similarity spaces that preserve chemically meaningful structure and provide more reliable residual uncertainty estimates than randomly initialised or fixed-descriptor-based kernels. Our results suggest that pretraining aligns latent-space geometry with model error, yielding a practical and sufficient acquisition signal for reactive MLIP fine-tuning.
Authors: Aaron Havens, Brian Karrer, Neta Shaul
Abstract: Sampling from unnormalized densities is analogous to the generative modeling problem, but the target distribution is defined by a known energy function instead of data samples. Because evaluating the energy function is often costly, a primary challenge is to learn an efficient sampler. We introduce Flow Sampling, a framework built on diffusion models and flow matching for the data-free setting. Our training objective is conditioned on a noise sample and regresses onto a denoising diffusion drift constructed from the energy function. In contrast, diffusion models' objective is conditioned on a data sample and regresses onto a noising diffusion drift. We utilize the interpolant process to minimize the number of energy function evaluations during training, resulting in an efficient and scalable method for sampling unnormalized densities. Furthermore, our formulation naturally extends to Riemannian manifolds, enabling diffusion-based sampling in geometries beyond Euclidean space. We derive a closed-form formula for the conditional drift on constant curvature manifolds, including hyperspheres and hyperbolic spaces. We evaluate Flow Sampling on synthetic energy benchmarks, small peptides, large-scale amortized molecular conformer generation, and distributions supported on the sphere, demonstrating strong empirical performance.
Authors: Sushovan Majhi, Atish Mitra, \v{Z}iga Virk, Pramita Bagchi
Abstract: We introduce PALACE (Persistence Adaptive-Landmark Analytic Classification Engine), the data-adaptive companion to PLACE, paying a small cross-validation tier on three knobs (budget, radii, bandwidth; $\leq 5$ choices each). A cover-theoretic core (Lebesgue-number criterion on the landmark cover) yields four closed-form guarantees. (i) A structural lower distortion bound $\lambda(\tau;\nu)$ on $\mathcal{D}_n$ under cross-diagram non-interference, with a $(D/L)^2$ budget reduction over the uniform grid when diagrams concentrate. (ii) Equal weights $w_k = K^{-1/2}$ maximizing $\lambda$, and farthest-point-sampling positions $2$-approximating the optimal $k$-center covering radius; both derived from training labels alone, no gradient training. (iii) A kernel-RKHS classification rate $O((k-1)\sqrt{K}/(\gamma\sqrt{m_{\min}}))$ with binary necessity threshold $m = \Omega(\sqrt K/\gamma)$ from a matching Le Cam lower bound, and a closed-form filtration-selection rule. The kernel-Mahalanobis margin $\hat\rho_{\mathrm{Mah}}$ is the strongest closed-form ranker across the chemical-graph pool (mean Spearman $\rho \approx +0.60$); the isotropic surrogate $\hat\gamma/\sqrt{K}$ admits a selection-consistency rate, and $\widehat{\lambda}$ from (i) provides an independent data-level signal (positive on COX2 and PTC). (iv) A per-prediction certificate, in non-asymptotic Pinelis and asymptotic Gaussian forms, with no calibration split. Empirically, PALACE is the strongest closed-form diagram-based method on Orbit5k ($91.3 \pm 1.0\%$, matching Persformer), leads every diagram-based competitor on COX2 and MUTAG, and is competitive on DHFR (within 1 pp of ECP). At $8\times$ domain inflation, adaptive placement maintains $94\%$ while the uniform grid collapses to chance ($25\%$ on 4-class data).
Authors: Hikmat Karimov, Rahid Zahid Alekberli
Abstract: As large language models (LLMs) are increasingly deployed in high-stakes and operational settings, evaluation strategies based solely on aggregate accuracy are often insucient to characterize system reliability. This study proposes a thermodynamic inspired modeling framework for analyzing the stability of LLM outputs under conditions of uncertainty and perturbation. The framework introduces a composite stability score that integrates task utility, entropy as a measure of external uncertainty, and two internal structural proxies: internal integration and aligned reective capacity. Rather than interpreting these quantities as physical variables, the formulation is intended as an interpretable abstraction that captures how internal structure may modulate the impact of disorder on model behavior. Using the IST-20 benchmarking protocol and associated metadata, we analyze 80 modelscenario observations across four contemporary LLMs. The proposed formulation consistently yields higher stability scores than a reduced utilityentropy baseline, with a mean improvement of 0.0299 (95% CI: 0.02470.0351). The observed gain is more pronounced under higher entropy conditions, suggesting that the framework captures a form of nonlinear attenuation of uncertainty. We do not claim a fundamental physical law or a complete theory of machine ethics. Instead, the contribution of this work is a compact and interpretable modeling perspective that connects uncertainty, performance, and internal structure within a unied evaluation lens. The framework is intended to complement existing benchmarking approaches and to support ongoing discussions in AI safety, reliability, and governance.
Authors: Hikmat Karimov, Rahid Zahid Alekberli
Abstract: This study introduces the Kerimov-Alekberli model, a novel information-geometric framework that redefines AI safety by formally linking non-equilibrium thermodynamics to stochastic control for the ethical alignment of autonomous systems. By establishing a formal isomorphism between non-equilibrium thermodynamics and stochastic control, we define systemic anomalies as deviations from a Riemannian manifold. The model utilizes the Kullback-Leibler divergence as the primary metric, governed by a dynamic threshold derived from the Fisher Information Metric. We further ground this framework in the Landauer Principle, proving that adversarial perturbations perform measurable physical work by increasing the system's informational entropy. Validation on the NSL-KDD dataset and unmanned aerial vehicle trajectory simulations demonstrated that our model achieves effective real-time detection via the FPT trigger, with strong performance metrics (e.g., high accuracy and low FPR) on benchmark datasets. This study provides a rigorous physical foundation for AI safety, transitioning from heuristic, rule-based ethical frameworks to a thermodynamics-based stability paradigm by grounding ethical violations in quantifiable physical work and entropic information.
Authors: Bumjun Kim, Albert No
Abstract: Understanding how textual embeddings contribute to memorization in text-to-image diffusion models is crucial for both interpretability and safety. This paper investigates an unexpected behavior of CLIP embeddings in Stable Diffusion, revealing that the model disproportionately relies on specific embeddings. We categorize input tokens as
Authors: Cheng Qian, Hyeonjeong Ha, Jiayu Liu, Jeonghwan Kim, Jiateng Liu, Bingxuan Li, Aditi Tiwari, Dwip Dalal, Zhenhailong Wang, Xiusi Chen, Mahdi Namazifar, Yunzhu Li, Heng Ji
Abstract: Recent advances in large language models have led to strong performance on reasoning and environment-interaction tasks, yet their ability for creative problem-solving remains underexplored. We study this capability through the lens of creative tool use, where a model repurposes available objects by reasoning about their affordances and attributes rather than relying on canonical usage. As a first step, we introduce CreativityBench, a benchmark for evaluating affordance-based creativity in LLMs. To this end, we build a large-scale affordance knowledge base (KB) with 4K entities and 150K+ affordance annotations, explicitly linking objects, parts, attributes, and actionable uses. Building on this KB, we generate 14K grounded tasks that require identifying non-obvious yet physically plausible solutions under constraints. Evaluations across 10 state-of-the-art LLMs, including closed and open-source models, show that models can often select a plausible object, but fail to identify the correct parts, their affordances, and the underlying physical mechanism needed to solve the task, leading to a significant drop in performance. Furthermore, improvements from model scaling quickly saturate, strong general reasoning does not reliably translate to creative affordance discovery, and common inference-time strategies such as Chain-of-Thought yield limited gains. These results suggest that creative tool use remains a major challenge for current models, and that CreativityBench provides a useful testbed for studying this missing dimension of intelligence, with potential implications for planning and reasoning modules in future agents.
Authors: Sakshi Agarwal, Aishik Konwer, Ankit Parag Shah
Abstract: Video Anomaly Detection (VAD) has traditionally been framed as binary classification or outlier detection, providing neither interpretable reasoning nor precise spatial localization of anomalous events. While Vision-Language Models (VLMs) offer rich scene understanding, they struggle with reliable spatial grounding - often producing hallucinated or geometrically invalid bounding boxes when asked to localize objects. We propose VANGUARD (Video Anomaly Understanding through Reasoning and Grounding), a framework that unifies anomaly classification, spatial grounding, and chain-of-thought reasoning within a single VLM. VANGUARD introduces a three-stage curriculum that progressively layers training objectives: (1) classifier warmup on frozen backbone features, (2) LoRA-adapted spatial grounding, and (3) chain-of-thought generation. To overcome the sparse annotation typical of VAD benchmarks, we employ a teacher-student annotation pipeline in which a VLM (Qwen3-VL-4B) generates structured per-subclip reasoning trajectories based on manual annotations available from the UCA Dataset. Further, GroundingDINO provides bounding box supervision. On UCF-Crime, VANGUARD achieves 94% ROC-AUC with 84% F1 while simultaneously producing interpretable chain-of-thought explanations and spatial grounding of anomalous objects - capabilities absent from prior VAD methods. Ablations confirm that staged training outperforms monolithic optimization, and that structured reasoning acts as an implicit regularizer yielding more balanced predictions than classification-only fine-tuning. Zero-shot transfer to XD-Violence and ShanghaiTech demonstrates cross-domain generalization without target-domain adaptation.
Authors: Aditya Ajay Phalod
Abstract: Same-model self-verification, prompting a model to audit its own predicted answer, is a plausible confidence signal for selective prediction, but its practical value remains unclear once strong likelihood-based baselines are taken seriously. We evaluate self-verification against two such baselines, LL-AVG and LL-SUM, on ARC-Challenge and TruthfulQA-MC across multiple model families, scales, and prompt variants. We measure not only correctness ranking, but also abstention quality through AURC and operating-point analyses. The results are sharply task- and model-dependent. On ARC-Challenge, self-verification substantially improves over LL-AVG for Phi-2 and the Qwen models, with the largest gains appearing in Qwen-7B. On TruthfulQA-MC, however, the signal is less reliable: smaller models can become prompt-sensitive, DeepSeek-R1-Distill-8B degrades relative to LL-AVG, and LL-SUM often remains the stronger practical baseline. We therefore do not treat self-verification as a general-purpose uncertainty estimator. In this setting, it is better understood as a conditional confidence signal whose value depends on task type, model family, prompt formulation, and, crucially, the baseline it must beat.
Authors: Gavin Money, Sindhuja Penchala, Jiacheng Li, Noorbakhsh Amiri Golilarz
Abstract: Standard transformer architectures learn fixed slow-weight representations during training and lack mechanisms for rapid adaptation within an episode. In contrast, biological neural systems address this through fast synaptic updates that form transient associative memories during inference, a property known as Hebbian plasticity. In this paper, we conduct an empirical study of Hebbian Fast-Weight (HFW) modules integrated into multiple transformer backbones, including ViT-Small, DeiT-Small, and Swin-Tiny. We evaluate six model variants: ViT, DeiT, Swin, ViT-Hebbian, DeiT-Hebbian, and Swin-Hebbian on 5-way 1-shot and 5-way 5-shot classification tasks using the Omniglot benchmark under a Prototypical Network meta-learning framework. We propose a single module placement strategy for Swin-Tiny in which one HFW module is applied to the final stage feature map after all hierarchical stages have completed. This design avoids the training instability caused by placing separate Hebbian modules at each stage and achieves the highest test accuracy across all six models (96.2\% at 1-shot; 99.2\% at 5-shot), outperforming its non-Hebbian baseline by $+0.3$ percentage points at 1-shot. We analyze the interaction between Swin's shifted window inductive bias and episode-level Hebbian binding, discuss why per-block placement fails for ViT and DeiT variants in a low-data regime, and situate the results within the wider literature on fast and slow-weight meta-learning.
Authors: Rui Tang, Kaiyu Xu, Pengsen Cheng, Hao Ren, Haizhou Wang, Shuyu Jiang
Abstract: As LLMs continue to shape real-world applications, automated jailbreak generation becomes essential to reveal safety weaknesses and guide model improvement. Existing automatic jailbreak generation methods have not yet fully considered two important aspects: adaptability to evolving safety-finetuned models, which affects their effectiveness on newer model versions, and diversity in generated prompts, which can cause narrow or repetitive attack patterns. To address these issues, we propose EvoJail, an instruction-fusion-driven evolutionary jailbreak generation framework that formalizes jailbreak prompt generation as a multi-objective black-box optimization problem and leverages the principles of evolutionary algorithms to search for jailbreak prompts that can adapt across different model versions and exhibit diverse attack patterns. Specifically, EvoJail integrates jailbreak prompt generation into an iterative evolutionary loop, where at each iteration candidate prompts are evaluated directly against the target model and then selected and varied based on the target model's responses, enabling the generation process to continuously adapt to model updates. To enhance diversity, EvoJail introduces field-aware instruction fusion to construct diverse starting points and incorporates diversity-aware objectives into the evolutionary fitness function, guiding the search toward prompts with richer semantic variation, while further designing multi-level LLM-based mutation operators that modify prompt structures at different granularities to promote structural diversity throughout the evolutionary process. Results demonstrate that EvoJail has stronger adaptability and can achieve over $93\%$ attack success rate and more than $5.6\%$ improvement in diversity metrics over state-of-the-art methods.
Authors: Shannon K. Gallagher, Swati Rallapalli, Tyler Brooks, Chuck Loughin, Michele Sezgin, Ronald Yurko
Abstract: Evolutionary methods have long been useful for analysis and explanation in genetics, biology, ecology, and related fields. In this work, we extend these methods to neural networks, specifically large language models (LLMs), to better analyze and explain relationships among models. We show how relating weights to genotypes and output text to phenotypes can improve our understanding of model lineage, important datasets, the roles of different model layers, and visualization of model relationships. We demonstrate this in a controlled experiment, where our estimated evolutionary trees reliably recover the topology of the ground-truth training tree. We further identify the most important weight layers according to weight differences and show through phenotypic experiments that one training dataset appears to contribute more useful information than the others. Finally, we generate an unsupervised evolutionary tree of black-box foundation models. Throughout, we provide visualizations that support a clearer understanding of evolutionary relationships among LLMs.
Authors: Muhammad Muneeb, David B. Ascher
Abstract: Predicting complex human traits from genetic data is challenging because different genetic, clinical, and molecular data sources often contain different parts of the signal. Here, we present EFGPP, a reproducible framework for generating, ranking, and combining multiple types of data for genotype-to-phenotype prediction. We applied EFGPP to migraine prediction using UK Biobank data from 733 individuals. The framework combined genotype-derived features, principal components, clinical and metabolomic covariates, and polygenic risk scores generated from migraine and depression GWAS using PLINK, PRSice-2, AnnoPred, and LDAK-GWAS. The best single data type achieved a test AUC of 0.644, while combining multiple data types improved performance to 0.688 using migraine-focused inputs and 0.663 using cross-trait depression-derived inputs. Genetic features alone did not outperform the covariates-only baseline, but genotype-derived features performed better than PRS alone, and depression-derived PRS showed useful predictive signal. Overall, EFGPP provides a practical proof-of-concept framework for prioritising and integrating heterogeneous genetic data sources for complex phenotype prediction.
Authors: Xulin Hu, Che Wang, Wei Yang Bryan Lim, Jianbo Gao, Zhong Chen
Abstract: Representation Engineering typically relies on static refusal vectors derived from terminal representations. We move beyond this paradigm, demonstrating that refusal is a dynamic and sparse process rather than a localized outcome. Using Causal Tracing, we uncover the Refusal Trajectory-a persistent upstream signature that remains intact even when adversarial attacks (e.g., GCG) suppress terminal signals. Leveraging this, we propose SALO (Sparse Activation Localization Operator), an inference-time detector designed to capture these latent patterns. SALO effectively recovers defense capabilities against forced-decoding attacks, improving detection rates from ~0% to >90% where methods relying on terminal states perform poorly.
Authors: Yagiz Ihlamur, Ben Griffin, Rick Chen
Abstract: Structured launch signals on Product Hunt contain statistically significant predictive information for Series A funding outcomes. We construct PHBench from 67,292 featured Product Hunt posts spanning 2019-2025, linked to Crunchbase funding records via deterministic domain matching, identifying 528 verified Series A raises within 18 months of launch (positive rate: 0.78%). Our best-performing model, a three-component ensemble (ENS_avg, ENS_ISO, XGB) selected by validation F0.5, achieves F0.5 = 0.097 and AP = 0.037 (95% CI: 0.024-0.072; 4.7x lift over random) on the private held-out test set (103 positives). A paired bootstrap confirms a statistically credible advantage over the logistic regression baseline (AP delta: +0.013, 95% CI: [0.004, 0.039], p < 0.001; F0.5 delta: +0.056, 95% CI: [0.006, 0.122], p = 0.016). Validation-set metrics (F0.5 = 0.284, AP = 0.126) reflect best-of-144 selection bias on 53 positives and are reported for benchmark reproducibility only. We further evaluate three zero-shot Gemini models (Gemini 2.5 Flash, Gemini 3 Flash, and Gemini 3.1 Pro) in an anonymized numerical setting. The best LLM achieves AP = 0.034 (Gemini 3 Flash), below the LR baseline AP of 0.044. Notably, the most capable Gemini variant (Gemini 3.1 Pro, AP = 0.023) performs worst -- an unexpected pattern that warrants further investigation across providers and prompting strategies. Both ML and LLM models show the same temporal performance decay tracking the 2020-2021 funding boom and subsequent contraction, confirming the dataset captures genuine market structure rather than noise. PHBench provides a reproducible framework comprising public training, validation, and blind test splits; 61 engineered features; a five-metric evaluation harness; and a public leaderboard at https://phbench.com. All code, baseline models, and anonymized dataset splits are publicly available.
URLs: https://phbench.com.
Authors: Omkar Kulkarni, Edward Raff, Tim Oates
Abstract: Medical experts often manually segment images to obtain diagnostic statistics and discard the resulting annotations. We aim to train segmentation models to alleviate this burden, but constrained to the retained summary statistics (e.g., the area of the annotated region). Empirical results suggest that statistics alone are insufficient for this task, but adding weak information in the form of a few pixels within the area of interest significantly improves performance. We use a novel loss function that combines terms for image reconstruction quality, matching to summary statistics, and overlap between the predicted foreground and the weak supervisory signal. Experiments on standard image, ultrasound (breast cancer), and Computed Tomography (CT) scan (kidney tumors) data demonstrate the utility and potential of the approach.
Authors: Houman Safaai, Alessandro Marin Vargas
Abstract: Time varying dependence is often modeled through dynamic correlations or Gaussian graphical models, yet many multivariate systems change through tail behavior, asymmetry, or conditional structure while correlations change little. We introduce Dynamic Vine Copulas (DVC), a temporal vine copula framework for estimating and diagnosing sequence wide non-Gaussian dependence. DVC keeps a chosen vine factorization fixed for comparability, can use C-, D-, or R-vines, and couples pair copula states across time through smooth parameter trajectories or temporally regularized family switching paths. Its central diagnostic contrasts held-out scores from a full vine and its matched 1-truncated counterpart, separating flexible first-tree pairwise evidence from higher-tree conditional evidence. At the population level, under a correct fixed vine and simplifying assumption, this contrast is the higher-tree term of a vine total correlation decomposition; in finite samples, it is a predictive diagnostic. Across controlled benchmarks, DVC detects Student-t tail degree changes, Clayton-to-Gumbel switches, and recurrent conditional interaction episodes that Gaussian dynamic baselines miss or conflate. The higher-tree score stays near zero in pairwise only regimes but rises selectively during conditional interaction regimes. On Allen Visual Behavior Neuropixels data, DVC identifies a reproducible time indexed higher-tree signal that is positive across held-out splits and disappears under a decorrelated null, indicating simultaneous cross-area dependence. Together, these results show that DVC is both a flexible temporal copula model and an interpretable diagnostic for whether time varying dependence changes are pairwise or conditional.
Authors: Zahir Alsulaimawi, Huaping Liu
Abstract: Federated learning (FL) lets distributed nodes train a shared model without exchanging their raw data, but in privacy-sensitive deployments medical sensors, IoT devices, wearables the protection offered by keeping data local is incomplete: gradients, model updates, and the released representations themselves can leak sensitive attributes. We propose the \emph{Gaussian Privacy Protector} (GPP), a data-release framework for continuous, high-dimensional inputs that learns a stochastic encoder mapping raw data to a low-dimensional sanitized representation. The encoder is trained against a variational lower bound on the mutual information between the released representation and a designated sensitive attribute, while a separate cross-entropy term preserves a designated utility attribute, with a Lagrange multiplier $\beta$ controlling the trade-off. We then extend GPP to the federated setting, in which each client trains a local encoder, sensitive labels never leave the client, and the aggregator receives only sanitized representations giving instance-level privacy protection in addition to the standard ``raw data stays local'' guarantee of FL. We evaluate GPP on MNIST (digit-sum utility, parity sensitive), CelebA (smiling vs.\ gender), and HAPT-Recognition (activity vs.\ subject identity). Across all three benchmarks, GPP attains utility within roughly one percentage point of an unconstrained autoencoder baseline while reducing the adversary's AUC to near random guessing.
Authors: Kyowoon Lee, Yunhao Luo, Anh Tong, Jaesik Choi
Abstract: Compositional diffusion planning generates long-horizon trajectories by stitching together overlapping short-horizon segments through score composition. However, when local plan distributions are multimodal, existing compositional methods suffer from mode-averaging, where averaging incompatible local modes leads to plans that are neither locally feasible nor globally coherent. We propose Refining Compositional Diffusion (RCD), a training-free guidance method that steers compositional sampling toward high-density, globally coherent plans. RCD leverages the self-reconstruction error of a pretrained diffusion model as a proxy for the log-density of composed plans, combined with an overlap consistency term that enforces consistency at segment boundaries. We show that the combined guidance concentrates sampling on high-density plans that mitigate mode-averaging. Experiments on challenging long-horizon tasks from OGBench, including locomotion, object manipulation, and pixel-based observations, demonstrate that RCD consistently outperforms existing methods.
Authors: Vamshi Nallaguntla, Shruti Kshirsagar, Anderson R. Avila
Abstract: Recent advances in emotional voice conversion (EVC) have enabled the generation of expressive synthetic speech, raising new concerns in audio deepfake detection. Existing approaches treat speech as a homogeneous signal and largely overlook its internal phonetic structure, limiting their interpretability in emotionally conditioned settings. In this work, we propose a phoneme-level framework to analyze emotionally manipulated synthetic speech using real and EVC-generated speech under matched emotional conditions with shared transcripts, phoneme-aligned TextGrids, and WavLM-based embeddings. Our results show that phoneme behavior varies across categories, with complex vowels and fricatives exhibiting higher divergence while simpler phonemes remain more stable. Phonemes with larger distributional differences are also found to be more easily detected, consistently across multiple emotions and synthesis systems. These findings demonstrate that phoneme-level analysis is an effective and interpretable approach for detecting emotionally manipulated synthetic speech.
Authors: Yingyun Li, Yu Wang, Haiyang Qian
Abstract: Semi-structured information extraction (IE) from OCR-derived clinical reports is crucial for efficiently reconstructing patients' longitudinal medical histories. In practice, this scenario commonly involves three tasks: (i) field-header (key) discovery, (ii) key-conditioned question answering (QA), and (iii) end-to-end key-value pair extraction. However, existing evaluations often under-model two factors: heterogeneous and incompletely known key representations, and OCR-induced noise. This makes it difficult to assess model robustness in real-world settings. We present MedStruct-S, a benchmark specifically designed to evaluate these tasks under unknown keys and OCR noise. MedStruct-S contains 3,582 annotated real-world clinical report pages. Using MedStruct-S, we benchmark two representative paradigms: encoder-only sequence labeling with post-processing and decoder-only structured generation, covering four encoder-only and five decoder-only models spanning 0.11B to 103B parameters. Our results show that encoder-only models achieve the best performance for non-null-value key-conditioned QA despite being substantially smaller than decoder-only models. When comparing models of similar order of magnitude, encoder-only models still perform better overall. Without controlling for model scale, fine-tuned decoder-only models deliver the strongest overall results. These findings show that the benchmark provides a reliable and practical basis for selecting and comparing models across different semi-structured IE settings.
Authors: Yucheng Du
Abstract: A reliable language model should be able to signal, prior to generation, when a query falls outside its knowledge. We investigate whether representation geometry can provide such a pre-generation signal by measuring the deviation of hidden states from an answerable reference set, requiring no labeled failure data and no access to model outputs. Across three instruction-tuned models (Llama 3.1-8B, Qwen 2.5-7B, and Mistral-7B-Instruct) and three prompt forms (Math, Fact, Code), we find that geometry primarily encodes task form. Within mathematical prompts, unanswerable inputs consistently deviate from the answerable centroid, yielding strong separation (ROC-AUC 0.78-0.84). This single-pass pre-generation signal outperforms a simple refusal baseline and compares favorably to self-consistency. It also captures cases where models do not explicitly refuse. In contrast, no reliable geometric signal emerges for factual prompts, indicating that the effect is form-conditional rather than universal. Code prompts show large effect sizes with higher variance, suggesting partial generalization beyond mathematical form. A layer-wise analysis reveals that the signal arises in early layers and gradually attenuates toward the output. These results suggest that answerability-related geometry is established before the final stages of generation. Together, these findings indicate that geometric deviation can serve as a lightweight pre-generation signal that is reliable in structured domains with formal answerability constraints, with clear boundaries on where it generalizes.
Authors: Prakhar Gupta, Garv Shah, Satyam Goyal, Anirudh Kanchi
Abstract: Adapting a pretrained language model to a new task often hurts the general capabilities it already had, a problem known as catastrophic forgetting. Sparse Memory Finetuning (SMF) tries to avoid this by adding key-value memory layers to the model and, on each training step, updating only the small set of memory rows that the current batch reads most heavily. We re-implement SMF on Qwen-2.5-0.5B-Instruct and compare it with LoRA and full finetuning on MedMCQA, a 4-choice medical exam task, using WikiText perplexity and TriviaQA accuracy as forgetting probes. SMF improves MedMCQA by 2.5 percentage points while keeping both forgetting probes within roughly 1 point of the base model, whereas LoRA and full finetuning achieve larger gains but with clear drift on both. We also compare two row-selection rules (KL-divergence and TF-IDF), which balance the two forgetting metrics differently.
Authors: Ran Zou, Wanrong Zhu, Bin Nan
Abstract: Conformal prediction provides distribution-free predictive intervals with finite-sample marginal coverage. However, achieving conditional validity and interval efficiency (in terms of short interval length) remains challenging, particularly in complex settings with heteroskedasticity, skewed responses, or estimation errors. We propose a conformal-style calibration method for responses obtained by the probability integral transform (PIT) of the conditional cumulative distribution function (CDF) estimated via neural networks to construct a finite-sample-adjusted percentile interval with the shortest length determined by the estimated conditional CDF. Calibrating in PIT space is effective because PIT values are asymptotically feature-independent when the CDF estimator is accurate, which mitigates feature-dependent miscoverage and improves conditional calibration. On the other hand, our percentile calibration adapts to the empirical PIT distribution, which is robust against a possibly imperfect estimation of the conditional CDF. We prove the finite-sample marginal coverage property of the proposed method and show its asymptotic conditional coverage under mild consistency conditions. Experiments on diverse synthetic and real-world benchmarks demonstrate better conditional calibration and substantially shorter intervals than existing methods.
Authors: Kisung You
Abstract: Effective sample size is a standard summary of Markov chain Monte Carlo output, but it is usually attached to scalar or Euclidean summaries chosen by the analyst. For manifold-valued samples this choice is not canonical: coordinate-wise effective sample sizes can change under rotations, chart changes, or alternative embeddings of the same underlying path. We propose an intrinsic effective sample size based on kernel discrepancy. The proposed quantity is the number of independent draws that would yield the same expected squared kernel discrepancy between the empirical distribution and the target distribution. This gives an exact finite-sample risk interpretation, an asymptotic integrated-autocorrelation representation, and a coordinate-free diagnostic whenever the kernel respects the geometry of the state space. We establish invariance under transported kernels, operator and principal-direction interpretations, and consistency of a lag-window estimator under boundedness and absolute-regularity conditions. We also discuss valid kernel constructions on manifolds, emphasizing that geodesic Gaussian kernels are not generally positive definite on curved spaces. Sphere experiments illustrate rotation invariance and calibration of the proposed diagnostic against empirical distributional error.
Authors: Mingzhe Yang, Shuo Wang, Jiang Zhang
Abstract: Causality is a central topic in scientific inquiry, yet for complex systems, the identification and analysis of synergistic causation remain a challenging and fundamental problem. In the context of causal relations among multivariate variables, a decomposition framework grounded in interventionist causation is still lacking. To address this gap, this paper proposes Partial Effective Information Decomposition (PEID), a framework that decomposes the influence of multiple source variables on a target variable under maximum-entropy interventions into unique and synergistic information, thereby providing a unified and computable characterization of synergistic causal relations. Theoretically, in the three-variable case, the proposed framework is compatible with the major axioms of Partial Information Decomposition (PID). Empirically, under maximum-entropy interventions, correlations among input variables are removed, causing redundancy to vanish and thereby enabling PEID to compute synergistic relations. Furthermore, based on this framework, it is possible to define causal graphs containing hyperedges as well as downward causation, thus offering a unified toolkit for analyzing cross-scale and multivariate causal mechanisms in complex systems. Finally, applying the framework to a machine-learning-based air quality forecasting task on KnowAir-V2, we demonstrate that PEID can extract interpretable inter-station causal structures from a learned dynamical model. These results suggest that PEID provides a general interventionist information-theoretic tool for analyzing multivariate and synergistic causal mechanisms in complex systems.
Authors: Dongyoung Kim, Huiwon Jang, Myungkyu Koo, Suhyeok Jang, Taeyoung Kim, Beomjun Kim, Byungjun Yoon, Changsung Jang, Daewon Choi, Dongsu Han, Donguk Lee, Heeseung Kwon, Hojin Jeon, Jaehyun Kang, Jaekyoung Bae, Jihyuk Lee, Jimin Lee, John Won, Joonwoo Ahn, Junhyeong Park, Junyoung Sung, Kyungmin Lee, Minseong Han, Minsung Yoon, Sejune Joo, Seonil Son, Seungcheol Park, Seunggeun Cho, Seungjun Moon, Seungku Kim, Yonghoon Dong, Yongjin Cho, Youngchan Kim, Chang Hwan Kim, Dohyeon Kim, Heecheol Kim, Heewon Lee, Hensen Ahn, Hyungkyu Ryu, Hyunsoo Choi, Hyunsoo Shin, Jaeheon Jung, Jaewoo Kim, Jinwook Kim, Joochul Chang, Joonsoo Kim, Junghun Park, Jungwoo Park, Junho Cho, Junhyeok Park, Junwon Lee, Kangwook Lee, Kwanghoon Kim, Kyoungwhan Choe, Manoj Bhadu, Nayoung Oh, Sangjun Kim, Sangwoo Kim, Seunghoon Shim, Seunghyun Kim, Seungjun Lee, Seungyup Ka, Sungryol Yang, Wook Jung, Yashu Shukla, Yeonjae Lee, Yeonwoo Bae, Jinwoo Shin
Abstract: While Vision-Language-Action models (VLAs) have shown remarkable progress toward human-like generalist robotic policies through the versatile intelligence (i.e. broad scene understanding and language-conditioned generalization) inherited from pre-trained Vision-Language Models, they still struggle with complex real-world tasks requiring broader functional capabilities (e.g. motion awareness, long-term memory, and physical sensing). To address this, we introduce RLDX-1, a general-purpose robotic policy for dexterous manipulation built on the Multi-Stream Action Transformer (MSAT), an architecture that unifies these capabilities by integrating heterogeneous modalities through modality-specific streams with cross-modal joint self-attention. RLDX-1 further combines this architecture with system-level design choices, including data synthesis for rare manipulation scenarios, learning procedures specialized for human-like manipulation, and inference optimizations for real-time deployment. Through empirical evaluation, we show that RLDX-1 consistently outperforms recent frontier VLAs (e.g. $\pi_{0.5}$ and GR00T N1.6) across both simulation benchmarks and real-world tasks that require broad functional capabilities beyond general versatility. In particular, RLDX-1 shows superiority in ALLEX humanoid tasks by achieving success rates of 86.8% while $\pi_{0.5}$ and GR00T N1.6 achieve around 40%, highlighting the ability of RLDX-1 to control a high-DoF humanoid robot under diverse functional demands. Together, these results position RLDX-1 as a promising step toward reliable VLAs for complex, contact-rich, and dynamic real-world dexterous manipulation.
Authors: Jonathan Muhire
Abstract: Donor-level disease classification from single-cell RNA sequencing (scRNA-seq) requires strict donor-aware cross-validation: naive pipelines that split cells randomly conflate training and test donors, inflating reported performance through pseudoreplication. We present a donor-aware benchmark evaluating three feature representations across two independent IBD cohorts: centered log-ratio (CLR) transformed cell-type composition, GatedStructuralCFN dependency embeddings, and scVI variational autoencoder latent embeddings. The cohorts are the SCP259 ulcerative colitis atlas (UC vs. Healthy, n=30 donors, 51 cell types) and the Kong 2023 Crohn's disease atlas (CD vs. Healthy, n=71 donors, 55-68 cell types across three intestinal regions). Compartment-stratified CLR composition achieves AUROC 0.956 +/- 0.061 on SCP259; GatedStructuralCFN on the same features achieves 0.978 +/- 0.050. In the Kong cohort, CFN achieves its best performance in the colon region (0.960 +/- 0.055 after feature filtering), exceeding linear CLR (0.900 +/- 0.100), while terminal ileum classification is dominated by linear models (CatBoost CLR 0.967 +/- 0.075 vs. CFN 0.811 +/- 0.164). Cross-dataset transfer (CD->UC, four shared cell types) achieves AUC 0.833 with XGBoost CLR; the reverse direction performs at chance. CFN edge stability analysis shows that compartment-wise composition eliminates spurious unit-sum-induced instability present in global composition (Jaccard 0.026 vs. top-20 recurrence 1.0). CFN shows a consistent numerical advantage over linear models in the colon region of CD (AUROC 0.960 vs. 0.900), though no inter-method comparison reached statistical significance at n<=34 donors per region. Compartment-aware feature construction is critical for both classification performance and structural interpretability. Code: https://github.com/Jonathan-321/sfn-scrna-study
Authors: Brian Keith-Norambuena, Juan Bekios-Calfa
Abstract: We provide a unified theoretical analysis of Linear Discriminant Analysis with simultaneous multilabel scatter matrix formulations and Stiefel orthogonality constraints. Our contributions span both algebraic structure and statistical guarantees. On the algebraic side, we characterize the rank of the multilabel between-class scatter matrix, showing that the effective discriminant dimensionality can strictly exceed the classical single-label bound of $C-1$; we establish a multilabel partition of variance and prove that all four Fisher objectives are equivalent under the $W^\top S_t^{ML} W = I_r$ constraint while characterizing their divergence under the Stiefel constraint; and we prove a two-sided label-distance preservation bound relating projected distances to Hamming distances in label space. On the statistical side, we establish a finite-sample $O(k_{\max}\sqrt{d\log d/n}/gap_r)$ bound on the subspace estimation error under sub-Gaussian noise with a matching $\Omega(\sigma^2 d/(n\,gap_r))$ minimax lower bound, establishing a near-minimax-optimal rate (matching up to logarithmic and $k_{\max}$ factors) for multilabel discriminant subspace estimation. We further provide high-probability distance concentration, robustness guarantees under label interactions, and a regularization analysis preserving the spectral structure when $d \gg n$. All results are verified numerically on synthetic data generated from the linear label-effect model, covering both the algebraic identities and the multilabel-specific quantities ($k_{\max}$, $\kappa(S_t^{ML})$, $\|\Gamma/n\|_2$, $\Delta_r$) that govern the statistical bounds. The numerical experiments are designed as a sanity check for the theorems rather than as an empirical benchmark; evaluation on real multilabel datasets is left to future work targeting application-oriented venues.
Authors: Daniel Fraiman, Ricardo Fraiman
Abstract: In many classification settings, the class of primary interest is underrepresented, leading to imbalanced data problems that arise in applications such as rare disease detection and fraud identification. In these contexts, identifying a potential positive instance typically triggers costly follow-up actions, such as medical imaging or detailed transaction inspection, which are subject to limited operational capacity. Motivated by this setting, we consider classification problems where data may arrive sequentially and decisions must be made under constraints on the number of instances that can be selected for further analysis. We propose a classification framework that explicitly controls the rate of positive predictions, enforcing a user-defined bound on the proportion of observations classified as belonging to the minority class while maximizing detection performance. The approach can be implemented using standard learning methods and naturally extends to online settings, where decisions are taken in real time. We show that incorporating capacity constraints leads to substantial improvements over classical approaches, including resampling techniques such as SMOTE, which do not directly control the selection rate.
Authors: Van-Phat Thai, Aradhya Dhruv, Duc-Thinh Pham, Sameer Alam
Abstract: ASR systems based on self-supervised acoustic pretraining and CTC fine-tuning achieve strong performance on native speech but remain sensitive to accent variability. We investigate supervised contrastive learning (SupCon) as a lightweight, accent-invariant auxiliary objective for CTC fine-tuning. An utterance-level contrastive loss regularizes encoder representations without architectural modification or explicit accent supervision. Experiments on the L2-ARCTIC benchmark show consistent WER reductions across multiple pretrained encoders, with up to 25 -- 29\% relative reduction under unseen-accent evaluation. Analysis using within-transcript cosine dispersion indicates that SupCon promotes more compact and stable representation geometry under accent variability. Overall, SupCon provides an effective and model-agnostic regularization strategy for improving accent robustness.
Authors: Maksym Nechepurenko, Pavel Shuvalov
Abstract: Multi-agent LLM systems fail in production at rates between 41% and 87%, mostly due to coordination defects rather than base-model capability. Existing responses split between cataloguing failure modes empirically and shipping declarative orchestration frameworks as engineering tools; neither delivers a principled mapping from coordination configuration to predictable failure-mode signature. We argue that coordination should be treated as a configurable architectural layer, separable from agent logic and from information access, enabling architectural reasoning rather than only engineering productivity. We instantiate this with an information-controlled design on prediction markets: a single LLM, fixed tools, fixed per-call output cap, and fixed prompt template across five reference coordination configurations, with total compute per question treated as an endogenous architectural output. The Murphy decomposition of the Brier score separates calibration from discriminative power, so configurations leave distinguishable signatures even when aggregate scores coincide. On 100 Polymarket binary markets resolved after the model's training cutoff (claude-opus-4-6) we report Murphy signatures, a cost-quality Pareto frontier, category-conditioned analysis, and a bootstrap power-projection. Three of five pre-specified predictions are upheld in direction; two configurations dominate the Pareto frontier within this regime; exploratory bootstrap intervals separate consensus alignment from others, though pairwise tests do not survive Bonferroni correction at n=100. We also deploy the same configurations as live agents on Foresight Arena under web-search-enabled conditions, as an on-chain replication channel accumulating in parallel. Harness, trace dataset, and production agents are released. We position this as a methodology-validating first instantiation, not a general cross-model claim.
Authors: Dionysis Arvanitakis, Vaggos Chatziafratis, Yiyuan Luo
Abstract: Embedding-based representations in Euclidean space $\mathbb{R}^d$ are a cornerstone of modern machine learning, where a major goal is to use the \emph{smallest dimension} that faithfully captures data relations. In this work, we prove sharp dimension--accuracy tradeoffs and identify a fundamental information-theoretic limitation: unless the embedding dimension $d$ is chosen close to the ground-truth dimension $D$, accuracy undergoes a sudden collapse. Our main result shows that this phenomenon arises even in standard contrastive learning settings, where supervision is limited to a set of $m$ anchor--positive--negative triplets $(i,j,k)$ encoding distance comparisons $\mathrm{dist}(i,j) < \mathrm{dist}(i,k)$. Specifically, given triplets realizable by an unknown ground-truth embedding in $D$ dimensions, we prove that there exists constant $c < 1$, such that \emph{every embedding of dimension at most $cD$ violates half of the triplets}, yielding accuracy as low as a trivial one-dimensional solution that ignores the input. We complement our information-theoretic bounds with strong computational hardness results: under the Unique Games Conjecture, even if the given triplets are nearly realizable in $D=1$ dimension, no polynomial-time algorithm -- \textit{regardless of its dimension} -- can achieve accuracy above the trivial $50\%$ baseline.
Authors: Chaoran Cheng, Jiaqi Guan, Milong Ren, Chengyue Gong, Cong Liu, Xinshi Chen, Ge Liu, Wenzhi Xiao
Abstract: We present A-CODE, a fully atomic unified one-stage protein co-design model that simultaneously refines discrete atom types and continuous atom coordinates. Unlike predominant two-stage methods that cascade structure design with amino acid-level sequence design, our approach is fully atomic within a unified multimodal diffusion framework, in which residue identities are inferred solely from atom-level predictions. Built upon the powerful all-atom architecture, A-CODE achieves superior designability for unconditional protein generation, outperforming all existing one-stage and two-stage design models. For binder design, A-CODE rivals and even outperforms existing state-of-the-art two-stage design models and, compared with the existing one-stage co-design model, achieves a drastic tenfold improvement in success rate on hard tasks. The inherent flexibility of our atomic formulation enables, for the first time, seamless adaptation to non-canonical amino acid (ncAA) modeling. Our fully atomic framework establishes a new, versatile foundation for all-atom generative modeling that can be naturally extended to complex biomolecular systems.
Authors: Riddhiman Bhattacharyya, Sayak Chakrabarty, Imon Banerjee
Abstract: Contextual MDPs are powerful tools with wide applicability in areas from biostatistics to machine learning. However, specializing them to offline datasets has been challenging due to a lack of robust, theoretically backed methods. Our work tackles this problem by introducing a new approach towards adaptive estimation and cost optimization of contextual MDPs. This estimator, to the best of our knowledge, is the first of its kind, and is endowed with strong optimality guarantees. We achieve this by overcoming the key technical challenges evolving from the endogenous properties of contextual MDPs; such as non-stationarity, or model irregularity. Our guarantees are established under complete generality by utilizing the relatively recent and powerful statistical technique of $T$-estimation (Baraud, 2011). We first provide a procedure for selecting an estimator given a sample from a contextual MDP and use it to derive oracle risk bounds under two distinct, but nevertheless meaningful, loss functions. We then consider the problem of determining the optimal control with the aid of the aforementioned density estimate and provide finite sample guarantees for the cost function.
Authors: Jaavid Aktar Husain, Dorien Herremans
Abstract: Music popularity prediction has attracted growing research interest, with relevance to artists, platforms, and recommendation systems. However, the explosive rise of AI-generated music platforms has created an entirely new and largely unexplored landscape, where a surge of songs is produced and consumed daily without the traditional markers of artist reputation or label backing. Key, yet unexplored in this pursuit is aesthetic quality. We propose APEX, the first large-scale multi-task learning framework for AI-generated music, trained on over 211k songs (10k hours of audio) from Suno and Udio, that jointly predicts engagement-based popularity signals - streams and likes scores - alongside five perceptual aesthetic quality dimensions from frozen audio embeddings extracted from MERT, a self-supervised music understanding model. Aesthetic quality and popularity capture complementary aspects of music that together prove valuable: in an out-of-distribution evaluation on the Music Arena dataset, comprising pairwise human preference battles across eleven generative music systems unseen during training, including aesthetic features consistently improves preference prediction, demonstrating strong generalisation of the learned representations across generative architectures.
Authors: Yujun Li, Hongyuan Zhang, Yuan Yuan
Abstract: Group Relative Policy Optimization (GRPO) has recently shown strong performance in post-training large language models and vision-language models. It raises a question of whether the GRPO also significantly promotes the test-time adaptation (TTA) of vision language models. In this paper, we propose Group Relative Policy Optimization for Test-Time Adaptation (GRPO-TTA), which adapts GRPO to the TTA setting by reformulating class-specific prompt prediction as a group-wise policy optimization problem. Specifically, we construct output groups by sampling top-K class candidates from CLIP similarity distributions, enabling probability-driven optimization without access to ground-truth labels. Moreover, we design reward functions tailored to test-time adaptation, including alignment rewards and dispersion rewards, to guide effective visual encoder tuning. Extensive experiments across diverse benchmarks demonstrate that GRPO-TTA consistently outperforms existing test-time adaptation methods, with notably larger performance gains under natural distribution shifts.
Authors: Alexander Matyasko, Xin Lou, Indriyati Atmosukarto, Wei Zhang
Abstract: Attacking semantic segmentation models is significantly harder than image classification models because an attacker must flip thousands of pixel predictions simultaneously. Standard pixel-wise cross-entropy (CE) is ill-suited to this setting: it tends to overemphasize already-misclassified pixels, which slows optimization and overstates model robustness. To address these issues, we introduce TsallisPGD, an adversarial attack built on the Tsallis cross-entropy, a generalization of CE parameterized by $q$, which adaptively reshapes the gradient landscape by controlling gradient concentration across pixels. By varying $q$, we steer the attack toward pixels at different confidence levels. We first show that no single fixed-$q$ is universally optimal, as its effectiveness depends on the dataset, model architecture, and perturbation budget. Motivated by this, we propose a dynamic $q$-schedule that sweeps $q$ during optimization. Extensive experiments on Cityscapes, Pascal VOC, and ADE20K show that TsallisPGD, using a single validation-selected schedule, achieves the best average attack rank across all evaluated settings and improves over CEPGD, SegPGD, CosPGD, JSPGD, and MaskedPGD in reducing accuracy and mIoU on both standard and robust models.
Authors: Rafael Carrillo Navarro, Ren\'e Duffard, Pablo Garc\'ia-Mart\'in, Javier Romero, Nicol\'as Morales, Luis Gon\c{c}alves
Abstract: Artificial satellites and space debris increasingly contaminate astronomical images, affecting scientific surveys and producing large volumes of streaked exposures. Manual inspection is no longer feasible at scale, and reliable detection and characterisation of streaks has become essential for both data-quality control and the monitoring of objects in Earth orbit. We present StreakMind, an automated pipeline designed to detect Near-Earth Objects and satellite streaks in astronomical images, characterise their geometry, and cross-identify them with known orbital objects. The system integrates all inference results into a structured database suitable for large surveys. A YOLO OBB model was trained on a hybrid dataset of 2335 images and applied to processed FITS frames. Geometric refinement, inter-frame association, satellite cross-identification, and Gaussian-based confidence scoring were then used to produce final identifications stored in a relational database. Observations from La Sagra Observatory were used to develop and test the method. On the test set, the model achieved a precision of 94 percent and a recall of 97 percent. It reliably detected faint streaks, delivered consistent geometric reconstructions, and performed robust satellite cross-identification. StreakMind demonstrates strong potential for large-scale automated analysis of linear streaks produced by both Near-Earth Objects and artificial satellites, contributing to space situational awareness.
Authors: Haibo Xiao, Hanzhe Liang, Jie Zhou, Jinbao Wang, Can Gao
Abstract: Detecting anomalies from 3D point clouds has received increasing attention in the field of computer vision, with some group-based or point-based methods achieving impressive results in recent years. However, learning accurate point-wise representations for 3D anomaly detection faces great challenges due to the large scale and sparsity of point clouds. In this study, a surface-based method is proposed for 3D anomaly detection, which learns a discriminative signed distance function using multi-scale level-of-detail features. We first present a Noisy Points Generation (NPG) module to generate different types of noise, thereby facilitating the learning of discriminative features by exposing abnormal points. Then, we introduce a Multi-scale Level-of-detail Feature (MLF) module to capture multi-scale information from a point cloud, which provides both fine-grained local and coarse-grained global feature information. Finally, we design an Implicit Surface Discrimination (ISD) module that leverages the extracted multi-scale features to learn an implicit surface representation of point clouds, which effectively trains a signed distance function to distinguish between abnormal and normal points. Experimental results demonstrate that the proposed method achieves an average object-level AUROC of 92.1\% and 85.9\% on the Anomaly-ShapeNet and Real3D-AD datasets, outperforming the current best approach by 2.1\% and 3.6\%, respectively. Codes are available at https://anonymous.4open.science/r/DLF-3AD-DA61.
Authors: Haoyu Zhang, Mohammad Zandsalimy, Shanu Sushmita
Abstract: Large language models (LLMs) employ safety mechanisms to prevent harmful outputs, yet these defenses primarily rely on semantic pattern matching. We show that encoding harmful prompts as coherent mathematical problems -- using formalisms such as set theory, formal logic, and quantum mechanics -- bypasses these filters at high rates, achieving 46%--56% average attack success across eight target models and two established benchmarks. Crucially, the effectiveness depends not on mathematical notation itself, but on whether a helper LLM deeply reformulates the harmful content into a genuine mathematical problem: rule-based encodings that apply mathematical formatting without such reformulation perform no better than unencoded baselines. We introduce a novel Formal Logic encoding that achieves attack success comparable to Set Theory, demonstrating that this vulnerability generalizes across mathematical formalisms. Additional experiments with repeat post-processing confirm that these attacks are robust to simple prompt augmentation. Notably, newer models (GPT-5, GPT-5-Mini) show substantially greater robustness than older models, though they remain vulnerable. Our findings highlight fundamental gaps in current safety frameworks and motivate defenses that reason about mathematical structure rather than surface-level semantics.
Authors: Seunghan Lee, Jun Seo, Jaehoon Lee, Sungdong Yoo, Minjae Kim, Tae Yoon Lim, Dongwan Kang, Hwanil Choi, Soonyoung Lee, Wonbin Ahn
Abstract: Time series (TS) reasoning models (TSRMs) have shown promising capabilities in general domains, yet they consistently fail on financial domain, which exhibit unique characteristics. We propose a general 2x2 capability taxonomy for TSRMs by crossing 1) single-entity vs. multi-entity analysis with 2) assessment of the current state vs. prediction of future behavior. We instantiate this taxonomy in the financial domain -- where the distinction between deterministic assessment and stochastic prediction is particularly critical -- as ten financial reasoning tasks, forming the FinTSR-Bench benchmark based on S&P stocks. To this end, we propose FinSTaR (Financial Time Series Thinking and Reasoning), trained on FinTSR-Bench with distinct chain-of-thought (CoT) strategies tailored to each category. For assessment, which is deterministic (i.e., computable from observable data), we employ Compute-in-CoT, a programmatic CoT that enables models to derive answers directly from raw prices. For prediction, which is inherently stochastic (i.e., subject to unobservable factors), we adopt Scenario-Aware CoT, which generates diverse scenarios before making a judgment, mirroring how financial analysts reason under uncertainty. The proposed method achieves 78.9% average accuracy on FinTSR-Bench, substantially outperforming LLM and TSRM baselines. Furthermore, we show that the four capability categories are complementary and mutually reinforcing through joint training, and that Scenario-Aware CoT consistently improves prediction accuracy over standard CoT. Code is publicly available at: https://github.com/seunghan96/FinSTaR.
Authors: Ishrith Gowda (University of California, Berkeley)
Abstract: Persistent external memory enables LLM agents to maintain context across sessions, yet its security properties remain formally uncharacterized. We formalize memory poisoning attacks on retrieval-augmented agents as a Stackelberg game with a unified evaluation framework spanning three attack classes with escalating access assumptions. Correcting an evaluation protocol inconsistency in the triggered-query specification of Chen et al. (2024), we show faithful evaluation increases measured attack success by $4\times$ (ASR-R: $0.25 \to 1.00$). Our primary contribution is MEMSAD (Semantic Anomaly Detection), a calibration-based defense grounded in a gradient coupling theorem: under encoder regularity, the anomaly score gradient and the retrieval objective gradient are provably identical, so any continuous perturbation that reduces detection risk necessarily degrades retrieval rank. This coupling yields a certified detection radius guaranteeing correct classification regardless of adversary strategy. We prove minimax optimality via Le Cam's method, showing any threshold detector requires $\Omega(1/\rho^2)$ calibration samples and MEMSAD achieves this up to $\log(1/\delta)$ factors. We further derive online regret bounds for rolling calibration at rate $O(\sigma^{2/3}\Delta^{1/3})$, and formally characterize a discrete synonym-invariance loophole that marks the boundary of what continuous-space defenses can guarantee. Experiments on a $3 \times 5$ attack-defense matrix with bootstrap confidence intervals, Bonferroni-corrected hypothesis tests, and Clopper-Pearson validation ($n=1{,}000$) confirm: composite defenses achieve TPR $= 1.00$, FPR $= 0.00$ across all attacks, while synonym substitution evades detection at $\Delta$ ASR-R $\approx 0$, exposing a gap existing embedding-based defenses cannot close.
Authors: Zhongjian Zhang, Yue Yu, Mengmei Zhang, Junping Du, Xiao Wang, Chuan Shi
Abstract: The remarkable success of large language models (LLMs) has motivated researchers to adapt them as universal predictors for various graph tasks. As a widely recognized paradigm, Graph-Tokenizing LLMs (GTokenLLMs) compress complex graph data into graph tokens and treat them as prefix tokens for querying LLMs, leading many to believe that LLMs can understand graphs more effectively and efficiently. In this paper, we challenge this belief: \textit{Do GTokenLLMs fully understand graph tokens in the natural-language embedding space?} Motivated by this question, we formalize a unified framework for GTokenLLMs and propose an evaluation pipeline, \textbf{GTEval}, to assess graph-token understanding via instruction transformations at the format and content levels. We conduct extensive experiments on 6 representative GTokenLLMs with GTEval. The primary findings are as follows: (1) Existing GTokenLLMs do not fully understand graph tokens. They exhibit over-sensitivity or over-insensitivity to instruction changes, and rely heavily on text for reasoning; (2) Although graph tokens preserve task-relevant graph information and receive attention across LLM layers, their utilization varies across models and instruction variants; (3) Additional instruction tuning can improve performance on the original and seen instructions, but it does not fully address the challenge of graph-token understanding, calling for further improvement.
Authors: Eloi Martinet
Abstract: We propose a neural parameterization of convex sets by learning sublinear (positively homogeneous and convex) functions. Our networks implicitly represent both the support and gauge functions of a convex body. We prove a universal approximation theorem for convex sets under this parametrization. Empirically, we demonstrate the method on shape optimization and inverse design tasks, achieving accurate reconstruction of target shapes.
Authors: Jingxi Qiu, Zeyu Han, Cheng Huang
Abstract: Retrieval-augmented generation (RAG) grounds answers in retrieved passages, but retrieval is not verification: a passage can be topical and still fail to justify the answer. We frame this gap as evidence sufficiency verification for selective RAG answering: given a question, a candidate answer, and retrieved evidence, predict whether the evidence supports, refutes, or is insufficient, and abstain unless support is established. We present SURE-RAG, a transparent aggregation protocol built on the observation that evidence sufficiency is a set-level property: missing hops and unresolved conflicts cannot be detected by independent passage scoring. A shared pair-level claim-evidence verifier produces local relation distributions, which SURE-RAG aggregates into interpretable answer-level signals -- coverage, relation strength, disagreement, conflict, and retrieval uncertainty -- yielding a three-way decision and an auditable selective score. We evaluate on HotpotQA-RAG v3, a controlled multi-hop benchmark, under an artifact-aware protocol (shortcut baselines, counterfactual swaps, no-oracle checks, GPT-4o audits). Calibrated SURE-RAG reaches 0.9075 Macro-F1 (0.8951 +/- 0.0069), substantially above DeBERTa mean-pooling (0.6516) and a GPT-4o judge (0.7284), while matching a strong but opaque concat cross-encoder (0.8888 +/- 0.0109) with full auditability. Risk at 30% coverage drops from 0.2588 to 0.1642, a 37% reduction in unsafe answers. To deliberately probe the task boundary, we further contrast SURE-RAG with GPT-4o on HaluBench unsafe detection: the ranking reverses (0.3343 vs 0.7389 unsafe-F1), establishing that controlled sufficiency verification and natural hallucination detection are distinct problems.
Authors: Diego Marcondes
Abstract: The dual norm characterisation of weak solutions of second-order linear elliptic partial differential equations is mathematically natural but computationally intractable: evaluating the $H^{-1}$ norm of a residual requires a supremum over an infinite-dimensional function space. We prove that the $H^{-1}$ norm of any functional is equivalent to its expected squared evaluation against a random test function whose distribution depends only on the domain. Crucially, realisations of this random test function have negative Sobolev regularity for $d \geq 2$, yet this roughness is not an obstacle: averaging over the distribution exactly recovers the correct weak topology, independently of the differential operator. This equivalence introduces the notion of stochastically weak solutions, which coincide with classical weak solutions, and motivates stochastic variational physics-informed neural networks (SV-PINNs): neural networks trained by minimising an empirical approximation of the stochastic norm of the PDE residual. Although instantiated here with neural networks as trial spaces, the underlying principle is independent of the approximation architecture and suggests a broader paradigm for numerical methods based on stochastic rather than deterministic test spaces. The framework extends naturally to higher-order elliptic, parabolic and hyperbolic equations and to abstract operator equations on Hilbert spaces. As a proof of concept, we present numerical experiments on eight challenging second-order linear elliptic problems spanning high-frequency and multi-scale solutions, indefinite operators, variable coefficients, and non-standard domains, in which SV-PINNs consistently and significantly outperform standard PINNs, recovering solutions to within one percent relative error in hundreds of L-BFGS steps.
Authors: Jian Xu, Wei Chen. Chao Li, Jingyuan Zheng, Delu Zeng, John Paisley, Qibin Zhao
Abstract: In quantum machine learning (QML), classical data are often encoded as quantum pure states and processed directly as quantum representations, motivating representation-level generative modeling that samples new quantum states from an underlying pure-state ensemble rather than re-preparing them from perturbed classical inputs. However, extending \emph{score-based} diffusion models with well-defined reverse-time samplers to quantum pure-state ensembles remains challenging, due to the non-Euclidean geometry of the complex projective space $\mathbb{CP}^{d-1}$ and the intractability of transition densities. We propose \emph{Stochastic Schr\"odinger Diffusion Models} (SSDMs), an intrinsic score-based generative framework on $\mathbb{CP}^{d-1}$ endowed with the Fubini--Study (FS) metric. SSDMs formulate a forward Riemannian diffusion with a stochastic Schr\"odinger equation (SSE) realization, and derive reverse-time dynamics driven by the Riemannian score $\nabla_{\mathrm{FS}} \log p_t$. To enable training without analytic transition densities, we introduce a local-time objective based on a local Euclidean Ornstein--Uhlenbeck approximation in FS normal coordinates, yielding an analytic teacher score mapped back to the manifold. Experiments show that SSDMs faithfully capture target pure-state ensemble statistics, including observable moments, overlap-kernel MMD, and entanglement measures, and that SSDM-generated quantum representations improve downstream QML generalization via representation-level data augmentation.
Authors: Roberto Netti, Emily Hinds, Francesco Calvanese, Rama Ranganathan, Martin Weigt, Francesco Zamponi
Abstract: Boltzmann Machines trained on evolutionary sequence data have emerged as a powerful paradigm for the data-driven design of artificial proteins. However, the relationship between model architecture, specifically parameter density, and experimental performance remains poorly understood. Here, we investigate this relationship using the Chorismate Mutase enzyme family as a model system. We compare standard fully connected Boltzmann Machines for Direct Coupling Analysis (bmDCA) with sparse models generated via progressive edge activation (eaDCA) and edge decimation (edDCA). We identify a maximum-entropy model (meDCA) along the decimation trajectory that represents an optimal balance between constraint satisfaction and the flexibility of the probability distribution. We synthesized and tested artificial sequences from all models using an in vivo complementation assay, finding that all architectures, regardless of sparsity, generate functional enzymes with high success rates, even at significant divergence from natural sequences. Despite this functional equivalence, we demonstrate that the meDCA model samples a viable sequence space that is more than fifteen orders of magnitude larger than its low-entropy counterparts. Furthermore, comparative analyses reveal that high-entropy models systematically minimize overfitting and better capture the local neutral spaces surrounding natural proteins. These findings suggest that while various models satisfying coevolutionary statistics can generate functional sequences, high-entropy Boltzmann Machines provide a superior representation of the underlying evolutionary fitness landscape.
Authors: Zirui Tang, Xuanhe Zhou, Yumou Liu, Linchun Li, Weizheng Wang, Hongzhang Huang, Jun Zhou, Jiachen Song, Shaoli Yu, Jinqi Wang, Zihang Zhou, Hongyi Zhou, Yuting Lv, Jinyang Li, Jiashuo Liu, Ruoyu Chen, Chunwei Liu, GuoLiang Li, Jihua Kang, Fan Wu
Abstract: Workspace learning requires AI agents to identify, reason over, exploit, and update explicit and implicit dependencies among heterogeneous files in a worker's workspace, enabling them to complete both routine and advanced tasks effectively. Despite its importance, existing relevant benchmarks largely evaluate agents on pre-specified or synthesized files with limited real-world dependencies, leaving workspace-level evaluation underexplored. To this end, we introduce Workspace-Bench, a benchmark for evaluating AI agents on Workspace Learning invOlving Large-Scale File Dependencies. We construct realistic workspaces with 5 worker profiles, 74 file types, 20,476 files (up to 20GB) and curate 388 tasks, each with its own file dependency graph, evaluated across 7,399 total rubrics that require cross-file retrieval, contextual reasoning, and adaptive decision-making. We further provide Workspace-Bench-Lite, a 100-task subset that preserves the benchmark distribution while reducing evaluation costs by about 70%. We evaluate 4 popular agent harnesses and 7 foundation models. Experimental results show that current agents remain far from reliable workspace learning, where the best reaches only 68.7%, substantially below the human result of 80.7%, and the average performance across agents is only 47.4%.
Authors: Chenchen Yuan, Zheyu Zhang, Gjergji Kasneci
Abstract: Large language models often display heterogeneous moral preferences across settings. We study inference-time steering toward a desired ethical framework while preserving general competence. We present Convergent-Divergent Routing, which traces and edits minimal branch points inside transformer blocks where ethical-framework-related pathways first converge and then diverge. Gating non-target branches at these loci blocks the downstream propagation while leaving upstream computations intact. We find that this intervention alone increases targeted ethical-framework reasoning. To achieve fine-grained control, we adapt Common Spatial Patterns to the residual stream and extract, for each branch-point layer, a pair of directions that discriminate between utilitarian and deontological frameworks. We then introduce Dual Logit Calibration, a closed-form, minimum-$\ell_2$-norm update that moves the residual within this two-dimensional subspace so the resulting directional projections align with user-specified preference weights. Experiments on real-life moral dilemmas show that our method reliably achieves preference calibration and largely preserves general capabilities, outperforming recent baselines while providing an interpretable mechanism.
Authors: Rapha\"el Le Bidan, Ahmad Ismail, Elsa Dupraz, Charbel Abdel Nour
Abstract: Syndrome-based neural decoding (SBND) has emerged as a promising deep learning approach for soft-decision decoding of high-rate, short-length codes. However, this approach still has substantial room for improvement. In this paper, we show how to leverage code automorphisms to enhance the ability of existing SBND models to learn and generalize through data augmentation during training and inference. As a result, for the short high-rate codes considered, we obtain models that closely approach MLD performance using small datasets and proper training. Our findings also suggest that many prior results for SBND models in the literature underestimate their true correction capability due to undertraining. Code to reproduce all results is available at: https://github.com/lebidan/sbnd.
Authors: Juha Harviainen, Frank Sommer, Manuel Sorge
Abstract: Polytrees are a subclass of Bayesian networks that seek to capture the conditional dependencies between a set of $n$ variables as a directed forest and are motivated by their more efficient inference and improved interpretability. Since the problem of learning the best polytree is NP-hard, we study which restrictions make it more tractable by considering for example in-degree bounds, properties of score functions measuring the quality of a polytree, and approximation algorithms. We devise an algorithm that finds the optimal polytree in time $O((2+\epsilon)^n)$ for arbitrarily small $\epsilon > 0$ and any constant in-degree bound $k$, improving over the fastest previously known algorithm of time complexity $O(3^n)$. We further give polynomial-time algorithms for finding a polytree whose score is within a factor of $k$ from the optimal one for arbitrary scores and a factor of $2$ for additive ones. Many of the results are complemented by (nearly) tight lower bounds for either the time complexity or the approximation factors.
Authors: Siavash Ameli, Chris van der Heide, Liam Hodgkinson, Michael W. Mahoney
Abstract: Tools from random matrix theory have become central to deep learning theory, using spectral information to provide mechanisms for modeling generalization, robustness, scaling, and failure modes. While often capable of modeling empirical behavior, practical computations are limited by matrix size, often imposing a restriction to models that are too small to be realistic. This motivates the inference of properties of larger models from the behavior of smaller ones. Free decompression (FD) is a recently proposed method for extrapolating spectral information across matrix sizes, but its utility is currently limited by strong assumptions that preclude its implementation on more realistic machine learning (ML) models. We use algebraic spectral curve theory to provide a general FD methodology for spectral densities whose Stieltjes transform satisfies an algebraic relation, a modeling assumption that is more likely to hold in practice. This recasts FD as an evolution along spectral curves which can be readily integrated. Our framework enables the expansion of spectral densities that have multiple or multi-modal bulks, that exist at multiple scales, and that contain atoms, all characteristic of real-world data and popular ML models. We demonstrate the efficacy of our framework on models of interest in modern ML, including Hessian and activation matrices associated with neural networks and large-scale diffusion models.
Authors: Zhiyuan Li, Rongzhen Zhao, Wenyan Yang, Wenshuai Zhao, Pekka Marttinen, Joni Pajarinen
Abstract: The de facto approach in video object-centric learning maintains temporal consistency through learned dynamics modules that predict future object representations, called slots. We demonstrate that these predictors function as expensive approximations of discrete correspondence problems. Modern self-supervised vision backbones already encode instance-discriminative features that distinguish objects reliably. Exploiting these features eliminates the need for learned temporal prediction. We introduce Grounded Correspondence, a framework that replaces learned transition functions with deterministic bipartite matching. Slots initialize from salient regions in frozen backbone features. Frame-to-frame identity is maintained through Hungarian matching on slot representations. The approach requires zero learnable parameters for temporal modeling yet achieves competitive performance on MOVi-D, MOVi-E, and YouTube-VIS. Project page: https://magenta-sherbet-85b101.netlify.app/
Authors: Faraz Kayani, Sarmad Kayani, Asad Ahmed, Radu Timofte, Dmitry Ignatov
Abstract: While deep-learning-based image restoration has achieved unprecedented fidelity, deployment on mobile Neural Processing Units (NPUs) remains bottlenecked by operator incompatibility and memory-access overhead. We propose an NPU-aware hardware-algorithm co-design approach for real-world image denoising on mobile NPUs. Our approach employs a high-capacity teacher to supervise a lightweight student network specifically designed to leverage the tiled-memory architectures of modern mobile SoCs. By prioritizing NPU-native primitives -- standard 3x3 convolutions, ReLU activations, and nearest-neighbor upsampling -- and employing a progressive context expansion strategy (up to 1024x1024 crops), the model achieves 37.66 dB PSNR / 0.9278 SSIM on the validation benchmark and 37.58 dB PSNR / 0.9098 SSIM on the held-out test benchmark at full resolution (2432x3200) in the Mobile AI 2026 challenge. Following the official challenge rules, the inference runtime is measured under a standardized Full HD (1088x1920) protocol, where it runs in 34.0 ms on the MediaTek Dimensity 9500 and 46.1 ms on the Qualcomm Snapdragon 8 Elite NPU. We further reveal an "Inference Inversion" effect, where strict adherence to NPU-compatible operations enables dedicated NPU execution up to 3.88x faster than the integrated mobile GPU. The 1.96M-parameter student recovers 99.8% of the teacher's restoration quality via high-alpha knowledge distillation (alpha = 0.9), achieving a 21.2x parameter reduction while closing the PSNR gap from 1.63 dB to only 0.05 dB. These results establish hardware-aware distillation as an effective strategy for unifying high-fidelity denoising with practical deployment across diverse mobile NPU architectures. The proposed lightweight student model (LiteDenoiseNet) and its training statistics are provided in the NN Dataset, available at https://github.com/ABrain-One/NN-Dataset.
Authors: Nan Feng, Xun Huan
Abstract: Bayesian predictive inference propagates parameter uncertainty to quantities of interest through the posterior-predictive distribution. In practice, this is typically performed using a two-stage procedure: first approximating the posterior distribution of model parameters, and then propagating posterior samples through the predictive model via Monte Carlo simulation. This sequential workflow can be computationally demanding, particularly for high-fidelity models such as those governed by partial differential equations. We propose a variational Bayesian framework that directly targets the posterior-predictive distribution and jointly learns variational approximations of both the posterior and the corresponding predictive distribution. The formulation introduces a variational upper bound on the Kullback--Leibler divergence together with moment-based regularization terms. The variational distributions are trained in an amortized manner, shifting computational effort to an offline stage and enabling efficient online inference. Numerical experiments ranging from analytical benchmarks to a finite-element solid mechanics problem demonstrate that the proposed method achieves more accurate predictive distributions than conventional two-stage variational inference, while substantially reducing the cost of online predictive inference.
Authors: Andreas Makris, Paul Fearnhead, Chris Nemeth
Abstract: Training-free conditional diffusion provides a flexible alternative to task-specific conditional model training, but existing samplers often allocate computation inefficiently: independent guided trajectories can vary widely in quality, and additional function evaluations along a single trajectory may not recover from poor early decisions. We propose Tempered Guided Diffusion (TGD), an annealed sequential Monte Carlo framework for training-free conditional sampling with diffusion priors. TGD targets tempered posterior distributions over the clean signal, using noisy diffusion states only as auxiliary variables for proposing reconstructions and propagating particles. Particles are reweighted by incremental likelihood ratios, resampled, and propagated across noise levels, concentrating computation on trajectories plausible under both the prior and observation. Under idealized exact-reconstruction assumptions, full TGD yields a consistent particle approximation to the posterior as the number of particles grows. For expensive reconstruction tasks, Accelerated TGD (A-TGD) retains early particle exploration but prunes to a single high-likelihood trajectory partway through sampling. Experiments on a controlled two-dimensional inverse problem and image inverse problems show improved posterior approximation and favorable wall-clock speed-quality tradeoffs over independent multi-trajectory baselines.
Authors: Stef van Buuren
Abstract: Minimizing the Mean Squared Error (MSE) is a key objective in machine learning and is commonly used for imputing missing values. While this approach provides accurate point estimates, it introduces systematic biases in downstream analyses. These biases affect key parameters such as variance, prevalence, correlation, slope, and explained variance. The root cause is that imputed values optimized for MSE are averages, which reduce the natural variability in the data. This paper demonstrates that adding noise to imputed values can effectively eliminate these biases. The required noise level is proportional to the MSE. Using a toy example in a multivariate normal setting, we compare two methods: predictive imputation, which minimizes MSE, and stochastic imputation, which incorporates random noise. Simulation results show that predictive methods systematically introduce bias, while stochastic methods preserve the data's natural variability and produce unbiased estimates. We also evaluate three popular imputation tools -- missForest, softImpute, and mice -- and observe consistent biases in predictive methods. These findings highlight that MSE is an inadequate measure of imputation quality, as it prioritizes accuracy over variability. Incorporating noise into imputation methods is essential to prevent biases and ensure valid downstream analyses, underscoring the importance of stochastic approaches for handling incomplete data.
Authors: Niclas F\"uhrling, Getuar Rexhepi, Giuseppe Thadeu Freitas de Abreu
Abstract: We consider a novel algorithm, for the completion of partially observed low-rank tensors, as a generalization of matrix completion. The proposed low-rank tensor completion (TC) method builds on the conventional nuclear norm (NN) minimization-based low-rank TC paradigm, by leveraging the alternating direction method of multipliers (ADMM) optimization framework. To that extend the original NN minimization problem is reformulated into multiple subproblems, which are then solved iteratively via closed-form proximal operators, making use of over-relaxation and an adaptive penalty parameter update scheme, to further speed up convergence and improve the overall performance of the method. Simulation results demonstrate the superior performance of the new method in terms of normalized mean square error (NMSE), compared to the conventional state-of-the-art (SotA) techniques, including NN minimization approaches, as well as a mixture of the latter with a matrix factorization approach, while its convergence can be significantly improved by initializing the algorithm with the solution of the SotA.
Authors: Valery Manokhin
Abstract: We propose Conformal Seasonal Pools (CSP), a training-free probabilistic time-series forecaster that mixes same-season empirical draws with signed residual draws around a seasonal naive forecast. In an audited rolling-origin benchmark on the six time-series datasets where DeepNPTS was originally evaluated (electricity, exchange_rate, solar_energy, taxi, traffic, wikipedia), CSP-Adaptive significantly outperforms DeepNPTS on every metric we report -- CRPS (per-window paired Wilcoxon $p \approx 4 \times 10^{-10}$), normalized mean quantile loss ($p \approx 7 \times 10^{-10}$), and empirical 95% coverage ($p \approx 8 \times 10^{-45}$, mean 0.89 vs 0.66) -- while running over 500x faster on CPU. Coverage is the most decision-critical of these: a 0.95 nominal interval that contains the truth in only ~66% of cases fails the basic calibration desideratum and would not survive deployment in safety- or decision-critical settings. The failure mode is also more severe than aggregate coverage suggests: in the worst 10% of windows, DeepNPTS's prediction interval covers none of the H forecast horizons -- the entire multi-step trajectory misses the truth at every step simultaneously. This poses serious risk in safety- and decision-critical applications such as healthcare, finance, energy operations, and autonomous systems, where prediction intervals that systematically miss the truth across the entire planning horizon translate directly into misclassified patients, regulatory capital failures, grid imbalances, and safety-case violations. CSP achieves all of this with no learned parameters and no training. We argue training-free conformal samplers should be mandatory baselines when evaluating learned non-parametric forecasters.
Authors: Peter Manshausen, Noah Brenowitz, Julius Berner, Karthik Kashinath, Mike Pritchard
Abstract: ML climate model emulators are useful for scenario planning and adaptation, allowing for cost-efficient experimentation. Recently, the diffusion model Climate in a Bottle (cBottle) has been proposed for generation of atmospheric states compatible with boundary conditions of solar position and sea surface temperatures. Crucially, cBottle can be guided to generate extreme events such as Tropical Cyclones (TCs) over locations of interest. Diffusion models such as cBottle work by approximating the probability density of the training data. Here, we show use cases of the probability density estimates of atmospheric states obtained from this climate emulator. Most importantly, these estimates allow us to calculate likelihoods of extreme events under guidance. When guiding the model towards states including TCs, comparing the probability density under the guided and unguided model enables us to quantify how much more likely the guidance has made the TC. We show how these odds ratios allow us to importance-sample from the TC distribution, reducing the standard error of the probability estimate compared to simple Monte Carlo sampling. Furthermore, we discuss results and limitations of the application of model probability densities to extreme event attribution-like experiments. We present these early but encouraging results hoping they will spur more research into probabilistic information that can be gained from diffusion models of the atmosphere.
Authors: Chandan Singh, Yan Shuo Tan, Weijia Xu, Zelalem Gero, Weiwei Yang, Michel Galley, Jianfeng Gao
Abstract: Agentic data science (ADS) systems are rapidly improving their capability to autonomously analyze, fit, and interpret data, potentially moving towards a future where agents conduct the vast majority of data-science work. However, current ADS systems use statistical tools designed to be interpretable by humans, rather than interpretable by agents. To address this, we introduce Agentic-imodels, an agentic autoresearch loop that evolves data-science tools designed to be interpretable by agents. Specifically, it develops a library of scikit-learn-compatible regressors for tabular data that are optimized for both predictive performance and a novel LLM-based interpretability metric. The metric measures a suite of LLM-graded tests that probe whether a fitted model's string representation is "simulatable" by an LLM, i.e. whether the LLM can answer questions about the model's behavior by reading its string output alone. We find that the evolved models jointly improve predictive performance and agent-facing interpretability, generalizing to new datasets and new interpretability tests. Furthermore, these evolved models improve downstream end-to-end ADS, increasing performance for Copilot CLI, Claude Code, and Codex on the BLADE benchmark by up to 73%
Authors: Valery Manokhin
Abstract: The Brier score conflates two distinct properties of probabilistic predictions: reliability (calibration error) and resolution (discriminatory power). We introduce the Manokhin Probability Matrix, a BCG-style two-dimensional diagnostic framework that separates them. Classifiers are placed on a 2x2 grid by Spiegelhalter Z-statistic and AUC-ROC expected rank, then assigned to one of four archetypes: Eagle (good on both axes), Bull (strong discrimination, poor calibration), Sloth (well-calibrated, weak discriminator), and Mole (poor on both). Each archetype carries a distinct prescription. We populate the matrix from a large-scale empirical study spanning 21 classifiers, 5 post-hoc calibrators, and 30 real-world binary classification tasks from the TabArena-v0.1 suite. The assignment is unambiguous. CatBoost, TabICL, EBM, TabPFN, GBC, and Random Forest are Eagles. XGBoost, LightGBM, and HGB are Bulls; Venn-Abers calibration cuts log-loss by 6.5 to 12.6% on Bulls but degrades Eagles by 2.1%. SVM, LR, LDA, and the empirical base-rate predictor are Sloths. MLP, KNN, Naive Bayes, and ExtraTrees are Moles. A theoretical asymmetry follows: no order-preserving post-hoc calibrator can add discriminatory power (Proposition 1), so calibration is the fixable part and discrimination is the hard part. The practical rule is direct: do not optimise aggregate Brier score without first decomposing it; optimise discrimination first, then fix calibration post-hoc. Code and raw experimental data are available at https://github.com/valeman/classifier_calibration.
Authors: Xun Jiang, Yufan Gu, Disen Hu, Yuqing Hou, Yazhou Yao, Fumin Shen, Heng Tao Shen, Xing Xu
Abstract: Multimodal learning often grapples with the challenge of low-quality data, which predominantly manifests as two facets: modality imbalance and noisy corruption. While these issues are often studied in isolation, we argue that they share a common root in the predictive uncertainty towards the reliability of individual modalities and instances during learning. In this paper, we propose a unified framework, termed Conformal Predictive Self-Calibration (CPSC), which leverages conformal prediction to equip the model with the ability to perform self-guided calibration on-the-fly. The core of our proposed CPSC lies in a novel self-calibrating training loop that seamlessly integrates two key modules: (1) Representation Self-Calibration, which decomposes unimodal features into components, and selectively fuses the most robust ones identified by a conformal predictor to enhance feature resilience. (2) Gradient Self-Calibration, which recalibrates the gradient flow during backpropagation based on instance-wise reliability scores, steering the optimization towards more trustworthy directions. Furthermore, we also devise a self-update strategy for the conformal predictor to ensure the entire system co-evolves consistently throughout the training process. Extensive experiments on six benchmark datasets under both imbalanced and noisy settings demonstrate that our CPSC framework consistently outperforms existing state-of-the-art methods. Our code is available at https://github.com/XunCHN/CPSC.
Authors: Weiming Feng, Yucheng Fu, Minji Yang, Anqi Zhang
Abstract: We study the problem of approximating the total variation distance between two mixtures of product distributions over an $n$-dimensional discrete domain. Given two mixtures $\mathbb{P}$ and $\mathbb{Q}$ with $k_1$ and $k_2$ product distributions over $[q]^n$, respectively, we give a randomized algorithm that approximates $d_{\mathrm{TV}}\left({\mathbb{P}},{\mathbb{Q}}\right)$ within a multiplicative error of $(1\pm \varepsilon)$ in time $\mathrm{poly}((nq)^{k_1+k_2},1/\varepsilon)$. We also study the special case of mixtures of Boolean subcubes over $\{0,1\}^n$. For this class, we give a deterministic algorithm that exactly computes the total variation distance in time $\mathrm{poly}(n,2^{O(k_1+k_2)})$, and show that exact computation is $\#\mathsf{P}$-hard when $k_1+k_2=\Theta(n)$.
Authors: Susmit Agrawal, Jannis Hollman, Matthias K\"ummerer
Abstract: Empirical fixation densities, spatial distributions estimated from human eye-tracking data, are foundational to saliency benchmarking. They directly shape benchmark conclusions, leaderboard rankings, failure case analyses, and scientific claims about human visual behavior. Yet the standard estimation method, fixed-bandwidth isotropic Gaussian KDE, has gone essentially unchanged for decades. This matters now more than ever: as the field shifts toward sample-level evaluation (failure case analysis, inverse benchmarking, per-image model comparison), reliable per-image density estimates become critical. We propose a principled mixture model that combines an adaptive-bandwidth KDE based on Abramson's method, center bias and uniform components, and a state-of-the-art saliency model, to capture different spatial and semantic types of interobserver consistency, and optimize all parameters per image via leave-one-subject-out cross-validation. Our method yields substantially higher interobserver consistency estimates across multiple benchmarks, with median per-image gains of 5-15% in log-likelihood and up to 2 percentage points in AUC. For the most affected images -- precisely those most relevant to failure case analysis -- improvements exceed 25%. We leverage these improved estimates to identify and analyze remaining failure cases of state-of-the-art saliency models, demonstrating that significant headroom for model improvement remains. More broadly, our findings highlight that empirical fixation densities should not be treated as fixed ground truths but as evolving estimates that improve with better methodology.
Authors: Ali Rayat, Gia-Wei Chern
Abstract: Local gauge structures play a central role in a wide range of condensed matter systems and synthetic quantum platforms, where they emerge as effective descriptions of strongly correlated phases and engineered dynamics. We introduce a gauge-invariant graph neural network (GNN) architecture for Abelian lattice gauge models, in which symmetry is enforced explicitly through local gauge-invariant inputs, such as Wilson loops, and preserved throughout message passing, eliminating redundant gauge degrees of freedom while retaining expressive power. We benchmark the approach on both $\mathbb{Z}_2$ and $\mathrm{U}(1)$ lattice gauge models, achieving accurate predictions of global observables and spatially resolved quantities despite the nonlocal correlations induced by gauge-matter coupling. We further demonstrate that the learned model serves as an efficient surrogate for semiclassical dynamics in $\mathrm{U}(1)$ quantum link models, enabling stable and scalable time evolution without repeated fermionic diagonalization, while faithfully reproducing both local dynamics and statistical correlations. These results establish gauge-invariant message passing as a compact and physically grounded framework for learning and simulating Abelian lattice gauge systems.
Authors: Geert Heyman, Frederik Vandeputte
Abstract: Large language models can be steered at inference time through prompting or activation interventions, but activation steering methods often underperform compared to prompt-based approaches. We propose a framework that formulates prompt steering as a form of activation steering and investigates whether distilling successful prompt steering behavior into simpler, interpretable models can close this gap. Our analysis reveals that popular activation steering methods are not faithful to the mechanics of prompt steering, which applies strong interventions on some tokens while barely affecting others. Based on these insights, we introduce Prompt Steering Replacement (PSR) models that estimate token-specific steering coefficients from the activations themselves and are trained to imitate prompt-based interventions. Experiments on three steering benchmarks across multiple language models show that PSR models outperform existing activation steering methods, especially when controlling for high-coherence completions, and also compare favorably to prompting on AxBench and persona steering.
Authors: Ragib Amin Nihal, Benjamin Yen, Runwu Shi, Takeshi Ashizawa, Kazuhiro Nakadai
Abstract: Training data for bioacoustics is scattered across taxa, regions, and institutions. Centralizing it all is often infeasible. We show that independently fine-tuned BEATs encoders can be composed into a unified 661-species classifier via task vector arithmetic without sharing data. We find that bioacoustic task vectors are near-orthogonal (cosine 0.01-0.09). Their separation aligns closely with spectral distribution distance, a gradient consistent with the acoustic niche hypothesis. This geometry makes simple averaging optimal while sign-conflict methods reduce accuracy by one to six percentage points. Composition also creates an asymmetric gap: species-rich groups lose accuracy relative to joint training while underrepresented taxa gain, a redistribution useful for equitable biodiversity monitoring. We verify linear mode connectivity across all taxonomic pairs, demonstrate zero-shot transfer to new regions, and identify domain negation as a boundary condition where composition fails. These results enable a collaborative paradigm for bioacoustics where institutions share only task vectors to assemble multi-taxa classifiers, preserving data privacy.
Authors: Tsogtgerel Gantumur
Abstract: We study scalar dyadic refinement operators on R^2 of the form (Vf)(x,y) = sum_{(j,k) in Z^2} c_{j,k} f(2x-j, 2y-k), where only finitely many mask coefficients c_{j,k} are nonzero. Under a fixed support-window hypothesis, we prove that for every compactly supported continuous piecewise linear seed g:R^2->R, the iterates V^n g admit exact ReLU realizations of fixed width and depth O(n). This gives a first genuinely two-dimensional extension of the exact realization theory for refinement cascades. Using the one-dimensional exact loop-controller framework, the proof transports the tensor-product residual dynamics exactly on the product of two polygonal loops and reduces the remaining seam ambiguity to a final readout and selector step. The matrix cascade is then handled by a fixed-depth recursive block, and general compactly supported continuous piecewise linear seeds are reduced to a finite decomposition together with exact clamped gluing on the support window. This identifies the tensor-product dyadic case as a natural first multivariate instance of the loop-controller method for refinement iterates.
Authors: Davide Marincione, Michele Mancusi, Giorgio Strano, Luca Cerovaz, Donato Crisostomi, Roberto Ribuoli, Emanuele Rodol\`a
Abstract: Stem retrieval, the task of matching missing stems to a given audio submix, is a key challenge currently limited by models that discard temporal information. We introduce PHALAR, a contrastive framework achieving a relative accuracy increase of up to $\approx 70\%$ over the state-of-the-art while requiring $<50\%$ of the parameters and a 7$\times$ training speedup. By utilizing a Learned Spectral Pooling layer and a complex-valued head, PHALAR enforces pitch-equivariant and phase-equivariant biases. PHALAR establishes new retrieval state-of-the-art across MoisesDB, Slakh, and ChocoChorales, correlating significantly higher with human coherence judgment than semantic baselines. Finally, zero-shot beat tracking and linear chord probing confirm that PHALAR captures robust musical structures beyond the retrieval task.
Authors: Zakarya Elmimouni, Fares Fourati, Mohamed-Slim Alouini
Abstract: Accurate school detection is essential for supporting education initiatives, including infrastructure planning and expanding internet connectivity to underserved areas. However, many regions around the world face challenges due to outdated, incomplete, or unavailable official records. Manual mapping efforts, while valuable, are labor-intensive and lack scalability across large geographic areas. To address this, we propose a weakly supervised framework for school detection from aerial imagery that minimizes the need for human annotations while supporting global mapping efforts. Our method is specifically designed for low-data regimes, where manual annotations are extremely scarce. We introduce an automatic labeling pipeline that leverages sparse location points and semantic segmentation to generate infrastructure masks from which we generate bounding boxes. Using these automatically labeled images, we train our detectors on a first training stage to learn a representation of what schools look like, then using a small set of manually labeled images, we fine-tune the previously trained models on this clean dataset. This two stage training pipeline enables large-scale and strong detection in low-data setting of school infrastructure with minimal supervision. Our results demonstrate strong object detection performance, particularly in the low-data regime, where the models achieve promising results using only 50 manually labeled images, significantly reducing the need for costly annotations. This framework supports education and connectivity initiatives worldwide by providing an efficient and extensible approach to mapping schools from space. All models, training code and auto-labeled data will be publicly released to foster future research and real-world impact.
Authors: Adwaitt Pandya, Ozioma C. Oguine, Harita Bhargava, Shrikant Zade
Abstract: A brain tumor is a medical disorder faced by individuals of all demographics. Medically, it is described as the spread of non-essential cells close to or throughout the brain. Symptoms of this ailment include headaches, seizures, and sensory changes. This research explores two main categories of brain tumors: benign and malignant. Benign spreads steadily, and malignant expresses growth, making it dangerous. Early identification of brain tumors is a crucial factor for the survival of patients. This research provides a state-of-the-art approach to the early identification of tumors within the brain. We implemented the SegResNet architecture, a widely adopted architecture for three-dimensional segmentation, and trained it using the automatic multi-precision method. We incorporated the dice loss function and dice metric for evaluating the model. We got a dice score of 0.84. For the tumor core, we got a dice score of 0.84; for the whole tumor, 0.90; and for the enhanced tumor, we got a score of 0.79.
Authors: Francisco M. Castro-Mac\'ias, Pablo Morales-\'Alvarez, Saifuddin Syed, Daniel Hern\'andez-Lobato, Rafael Molina, Jos\'e Miguel Hern\'andez-Lobato
Abstract: Sampling from unnormalized multimodal distributions with limited density evaluations remains a fundamental challenge in machine learning and natural sciences. Successful approaches construct a bridge between a tractable reference and the target distribution. Parallel Tempering (PT) serves as the gold standard, while recent diffusion-based approaches offer a continuous alternative at the cost of neural training. In this work, we introduce Conditional Diffusion Sampling (CDS), a framework that combines these two paradigms. To this end, we derive Conditional Interpolants, a class of stochastic processes whose transport dynamics are governed by an exact, closed-form stochastic differential equation (SDE), requiring no neural approximation. Although these dynamics require sampling from a non-trivial initialization distribution, we show both theoretically and empirically that the cost of this initialization diminishes for sufficiently short diffusion times. CDS leverages this by a two-stage procedure: (1) PT is used to efficiently sample the initial distribution, and then (2) samples are transported via the transport SDE. This combination couples the robust global exploration of PT with efficient local transport. Experiments suggest that CDS has the potential to achieve a superior trade-off between sample quality and density evaluation cost compared to state-of-the-art samplers.
Authors: Evangelos Ntavelis, Sean Wu, Mohamad Shahbazi, Fabio Maninchedda, Dmitry Kostiaev, Artem Sevastopolsky, Vittorio Megaro, Trevor Phillips, Alejandro Blumentals, Shridhar Ravikumar, Mehak Gupta, Reinhard Knothe, Jeronimo Bayer, Matthias Vestner, Simon Schaefer, Thomas Etterlin, Christian Zimmermann, Mathias Deschler, Peter Kaufmann, Stefan Brugger, Sebastian Martin, Brian Amberg, Tom Runia
Abstract: We propose HeadsUp, a scalable feed-forward method for reconstructing high-quality 3D Gaussian heads from large-scale multi-camera setups. Our method employs an efficient encoder-decoder architecture that compresses input views into a compact latent representation. This latent representation is then decoded into a set of UV-parameterized 3D Gaussians anchored to a neutral head template. This UV representation decouples the number of 3D Gaussians from the number and resolution of input images, enabling training with many high-resolution input views. We train and evaluate our model on an internal dataset with more than 10,000 subjects, which is an order of magnitude larger than existing multi-view human head datasets. HeadsUp achieves state-of-the-art reconstruction quality and generalizes to novel identities without test-time optimization. We extensively analyze the scaling behavior of our model across identities, views, and model capacity, revealing practical insights for quality-compute trade-offs. Finally, we highlight the strength of our latent space by showcasing two downstream applications: generating novel 3D identities and animating the 3D heads with expression blendshapes.
Authors: Sebastian Wind, Tri-Thien Nguyen, Jeta Sopa, Mahshad Lotfinia, Sebastian Bickelhaup, Michael Uder, Harald K\"ostler, Gerhard Wellein, Sven Nebelung, Daniel Truhn, Andreas Maier, Soroosh Tayebi Arasteh
Abstract: Clinical LLMs are often scaled by increasing model size, context length, retrieval complexity, or inference-time compute, with the implicit expectation that higher accuracy implies safer behavior. This assumption is incomplete in medicine, where a few confident, high-risk, or evidence-contradicting errors can matter more than average benchmark performance. We introduce SaFE-Scale, a framework for measuring how clinical LLM safety changes across model scale, evidence quality, retrieval strategy, context exposure, and inference-time compute. To instantiate this framework, we introduce RadSaFE-200, a Radiology Safety-Focused Evaluation benchmark of 200 multiple-choice questions with clinician-defined clean evidence, conflict evidence, and option-level labels for high-risk error, unsafe answer, and evidence contradiction. We evaluated 34 locally deployed LLMs across six deployment conditions: closed-book prompting (zero-shot), clean evidence, conflict evidence, standard RAG, agentic RAG, and max-context prompting. Clean evidence produced the strongest improvement, increasing mean accuracy from 73.5% to 94.1%, while reducing high-risk error from 12.0% to 2.6%, contradiction from 12.7% to 2.3%, and dangerous overconfidence from 8.0% to 1.6%. Standard RAG and agentic RAG did not reproduce this safety profile: agentic RAG improved accuracy over standard RAG and reduced contradiction, but high-risk error and dangerous overconfidence remained elevated. Max-context prompting increased latency without closing the safety gap, and additional inference-time compute produced only limited gains. Worst-case analysis showed that clinically consequential errors concentrated in a small subset of questions. Clinical LLM safety is therefore not a passive consequence of scaling, but a deployment property shaped by evidence quality, retrieval design, context construction, and collective failure behavior.
Authors: Minh H. Vu, Daniel Edler, Carl Wibom, Tommy L\"ofstedt, Beatrice Melin, Martin Rosvall
Abstract: Deep learning (DL) models require extensive data to achieve strong performance and generalization. Deep generative models (DGMs) offer a solution by synthesizing data. Yet current approaches for tabular data often fail to preserve feature correlations and distributions during training, struggle with multi-metric hyperparameter selection, and lack comprehensive evaluation protocols. We address this gap with a unified framework that integrates training, hyperparameter tuning, and evaluation. First, we introduce a novel correlation- and distribution-aware loss function that regularizes DGMs, enhancing their ability to generate synthetic tabular data that faithfully represents the underlying data distributions. Theoretical analysis establishes stability and consistency guarantees. To enable principled hyperparameter search via Bayesian optimization (BO), we also propose a new multi-objective aggregation strategy based on iterative objective refinement Bayesian optimization (IORBO), along with a comprehensive statistical testing framework. We validate the proposed approach using a benchmarking framework with twenty real-world datasets and ten established tabular DGM baselines. The correlation-aware loss function significantly improves synthetic data fidelity and downstream machine learning (ML) performance, while IORBO consistently outperforms standard Bayesian optimization (SBO) in hyperparameter selection. The unified framework advances tabular generative modeling beyond isolated method improvements. Code is available at: https://github.com/vuhoangminh/TabGen-Framework
Authors: Yifei Li, Erik-Jan van Kampen
Abstract: The symmetry of dynamical systems can be exploited for state-transition prediction and to facilitate control policy optimization. This paper leverages system symmetry to develop sample-efficient offline reinforcement learning (RL) approaches. Under the symmetry assumption for a Markov Decision Process (MDP), a symmetric data augmentation method is proposed. The augmented samples are integrated into the dataset of Deep Deterministic Policy Gradient (DDPG) to enhance its coverage rate of the state-action space. Furthermore, sample utilization efficiency is improved by introducing a second critic trained on the augmented samples, resulting in a dual-critic structure. The aircraft's model is verified to be symmetric, and flight control simulations demonstrate accelerated policy convergence when augmented samples are employed.
Authors: Itamar Zimerman, Allon Adir, Ehud Aharoni, Matan Avitan, Moran Baruch, Nir Drucker, Jenny Lerner, Ramy Masalha, Reut Meiri, Omri Soceanu
Abstract: Modern cryptographic methods for implementing privacy-preserving LLMs such as \gls{HE} require the LLMs to have a polynomial form. Forming such a representation is challenging because transformers include non-polynomial components, such as \Softmax and layer normalization. Previous approaches have either directly approximated pre-trained models with large-degree polynomials, which are less efficient over HE, or replaced non-polynomial components with easier-to-approximate primitives before training, e.g., \Softmax with pointwise attention. The latter approach might introduce scalability challenges. We present a new HE-friendly variant of self-attention that offers a stable form for training and is easy to approximate with polynomials for secure inference. Our work introduces the first polynomial LLMs over a billion parameters, exceeding the size of previous models by more than tenfold. The resulting models demonstrate reasoning and in-context learning (ICL) capabilities comparable to standard transformers of the same size, representing a breakthrough in the field. Finally, we provide a detailed latency breakdown for each computation over encrypted data, paving the way for further optimization, and explore the differences in inductive bias between models relying on our HE-friendly variant and standard transformers.
Authors: Miaomiao Li, Hao Chen, Yang Wang, Tingyuan Zhu, Weijia Zhang, Kaijie Zhu, Kam-Fai Wong, Jindong Wang
Abstract: Generating synthetic datasets via large language models (LLMs) has emerged as a promising approach to improve LLM performance. However, LLMs inherently reflect biases in their training data, leading to a critical challenge: when models are trained on synthetic data, they may propagate and amplify the inherent biases that can significantly impact fairness and robustness on downstream tasks-a phenomenon we term bias inheritance. This work presents the first systematic investigation in understanding, analyzing, and mitigating bias inheritance. We fine-tune LLMs with a combined dataset of real and LLM-augmented data with varied bias ratio as the proportion of augmented data. Through systematic experiments across 10 classification and generation tasks, we analyze how 6 different types of biases manifest. Our results indicate that bias inheritance harms downstream task performance in bias directly-related classification and generation tasks. Then, our analysis identifies three key misalignment factors: misalignment of values, group data, and data distributions. Based on these insights, we propose three mitigation strategies: token-based, mask-based, and loss-based approaches, which can work differently on various tasks and bias, indicating the substantial challenges to mitigate bias inheritance. We hope this work can provide insights to the research of LLM data augmentation.
Authors: Pranjal Awasthi, Sreenivas Gollapudi, Ravi Kumar, Kamesh Munagala
Abstract: We study zeroth-order optimization where solutions must minimize a cost $d(s)$ while maintaining high probability under a complex generative prior $L(s)$ (e.g., a parameterized model). This reduces to sampling from a target distribution proportional to $L(s) e^{-T \cdot d(s)}$. Since classical model-based optimization (MBO) lacks finite-sample guarantees for expressive approximate learners, we introduce "coarse learnability", a flexible statistical assumption requiring only that a learned model covers the target's probability mass within a polynomial factor. Leveraging this assumption, we design an iterative MBO algorithm called \alift with a sample correction step that provably approximates the target using only a polynomial number of samples. We apply this framework to globally optimizing non-convex objectives bounded by a quadratic envelope in $R^n$, where we show this assumption is naturally satisfied for a family of "optimistic" posterior distributions. To reach global $\varepsilon$-optimality, this implies a sample complexity of $\widetilde{O}(\log 1/\varepsilon)$, a rate characteristic of optimistic space-partitioning methods. We further justify coarse learnability as an assumption for generative priors theoretically, proving that in simple settings, parametric maximum likelihood estimation and over-smoothed kernel density estimators naturally satisfy it. Finally, one motivation for our framework comes from inference-time alignment. Though our primary contribution pertains to the theoretical foundations of MBO, we provide qualitative evidence that, in simple settings, even primitive LLMs can shift their distributions toward lower-cost regions when fine-tuned with zeroth-order feedback.
Authors: Nathanael Tepakbong, Xiang Zhou, Ding-Xuan Zhou
Abstract: We study the classical binary classification problem for hypothesis spaces of Deep Neural Networks (DNNs) under Tsybakov's low-noise condition with exponent $q>0$, as well as its limit case $q=\infty$, which we refer to as the \emph{hard margin condition}. We demonstrate that, for a wide range of commonly used activation functions (including but not limited to ReLU, LeakyReLU, ELU, CELU, SELU, Softplus, GELU, SiLU, Swish, Mish, and Softmax), DNN solutions to the empirical risk minimization (ERM) problem with square loss surrogate and $\ell_p$ penalty on the weights $(0
Authors: Mohamed Amine Ketata, David L\"udke, Leo Schwinn, Stephan G\"unnemann
Abstract: Building generative models for relational databases (RDBs) is important for many applications, such as privacy-preserving data release and augmenting real datasets. However, most prior works either focus on single-table generation or adapt single-table models to the multi-table setting by relying on autoregressive factorizations and sequential generation. These approaches limit parallelism, restrict flexibility in downstream applications, and compound errors due to commonly made conditional independence assumptions. In this paper, we propose a fundamentally different approach: jointly modeling all tables in an RDB without imposing any table order. By using a natural graph representation of RDBs, we propose the Graph-Conditional Relational Diffusion Model (GRDM), which leverages a graph neural network to jointly denoise row attributes and capture complex inter-table dependencies. Extensive experiments on six real-world RDBs demonstrate that our approach substantially outperforms autoregressive baselines in modeling multi-hop inter-table correlations and achieves state-of-the-art performance on single-table fidelity metrics. Our code is available at https://github.com/ketatam/rdb-diffusion.
Authors: Noah Amsel, David Persson, Christopher Musco, Robert M. Gower
Abstract: Computing the polar decomposition and the related matrix sign function has been a well-studied problem in numerical analysis for decades. Recently, it has emerged as an important subroutine within the Muon optimizer for training deep neural networks. However, the requirements of this application differ sharply from classical settings: deep learning demands GPU-friendly algorithms that prioritize high throughput over high precision. We introduce Polar Express, a new method for computing the polar decomposition. Like Newton-Schulz and other classical polynomial methods, our approach uses only matrix-matrix multiplications, making it very efficient on GPUs. Inspired by earlier work of Chen & Chow and Nakatsukasa & Freund, Polar Express adapts the update rule at each iteration by solving a minimax optimization problem. We prove that this strategy minimizes error in a worst-case sense, allowing Polar Express to converge as rapidly as possible both in the early iterations and asymptotically. We also address finite-precision issues, making it practical to use in bfloat16. When integrated into Muon, our method yields consistent improvements in validation loss for a GPT-2 model trained on one to ten billion tokens from the FineWeb dataset, outperforming recent alternatives across a range of learning rates.
Authors: Jiaru Zhang, Juanwu Lu, Xiaoyu Wu, Ziran Wang, Ruqi Zhang
Abstract: Discrete normalizing flows are promising generative models with advantages such as analytical log-likelihood computation and end-to-end training. However, the architectural constraints to ensure invertibility and tractable Jacobian computation limit their expressive power and practical usability. Recent advancements utilize autoregressive modeling, significantly enhancing expressive power and generation quality. Nevertheless, such sequential modeling inherently restricts parallel computation during inference, leading to slow generation that impedes practical deployment. In this paper, we first identify that strict sequential dependency in inference is unnecessary to generate high-quality samples. We observe that sub-variables in sequential modeling can also be approximated without strictly conditioning on all preceding sub-variables. Moreover, the models tend to exhibit low dependency redundancy in the initial layer and higher redundancy in subsequent layers. Leveraging these observations, we propose to selectively use Jacobi decoding strategy that accelerates its autoregressive inference through parallel iterative optimization. Theoretical analyses demonstrate the method's superlinear convergence rate and guarantee that the number of iterations required is no greater than the original sequential approach. Empirical evaluations across multiple datasets validate the generality and effectiveness of our acceleration technique, achieving up to 4.7 times faster inference on modern normalizing flow models while preserving generation quality.
Authors: Mehul Bafna, Siddhant anand Jadhav, David Sweet
Abstract: Bayesian optimization (BO) has traditionally solved black-box problems where function evaluation is expensive and, therefore, observations are few. Recently, however, there has been growing interest in applying BO to problems where function evaluation is cheaper and observations are more plentiful. In this regime, scaling to many observations $N$ is impeded by Gaussian-process (GP) surrogates: GP hyperparameter fitting scales as $\mathcal{O}(N^3)$ (reduced to roughly $\mathcal{O}(N^2)$ in modern implementations), and it is repeated at every BO iteration. Many methods improve scaling at acquisition time, but hyperparameter fitting still scales poorly, making it the bottleneck. We propose Epistemic Nearest Neighbors (ENN), a lightweight alternative to GPs that estimates function values and uncertainty (epistemic and aleatoric) from $K$-nearest-neighbor observations. ENN scales as $\mathcal{O}(N)$ for both fitting and acquisition. Our BO method, TuRBO-ENN, replaces the GP surrogate in TuRBO with ENN and its Thompson-sampling acquisition with $\mathrm{UCB} = \mu(x) + \sigma(x)$. For the special case of noise-free problems, we can omit fitting altogether by replacing $\mathrm{UCB}$ with a non-dominated sort over $\mu(x)$ and $\sigma(x)$. We show empirically that TuRBO-ENN reduces proposal time (i.e., fitting time + acquisition time) by one to two orders of magnitude compared to TuRBO at up to 50,000 observations.
Authors: Minjae Lee, Yoonjae Jung, Sangdon Park
Abstract: As interactive generative systems are increasingly deployed in real-world applications, their tendency to generate unreliable or false responses raises serious concerns. Conformal abstention mitigates this risk by ensuring that the system answers only when confident. However, real-world deployments typically provide only partial user feedback (e.g., thumbs up/down) on the selected response and often operate in non-stationary or adversarial environments, for which effective learning methods are largely missing. To bridge this gap, we propose ExAUL, a novel online learning framework for conformal abstention with adversarial and partial feedback. Technically, we introduce (i) a novel conversion lemma}that translates the regret of any bandit algorithm into an FDR bound, and (ii) feedback unlocking, a strategy that exploits the structure of conformal abstention to extract additional learning signals from partial feedback. We prove that ExAUL achieves a regret bound of $O(\sqrt{T \ln |{H}|})$, which translates into an ${O}(\sqrt{T})$ bound on FDR risk control, matching the controllability of full-information settings despite receiving only partial feedback. While applicable to general generative tasks, we demonstrate the efficacy of ExAUL for ensuring the reliability of Large Language Models (LLMs) through empirical validation on question-answering tasks across diverse non-stationary and adversarial settings. Our results demonstrate that ExAUL robustly controls the FDR while maintaining competitive answering coverage.
Authors: Vishnu Vinod, Krishna Pillutla, Abhradeep Guha Thakurta
Abstract: As major progress in LLM-based long-form text generation enables paradigms such as retrieval-augmented generation (RAG) and inference-time scaling, safely incorporating private information into the generation remains a critical open question. We present InvisibleInk, a highly scalable long-form text generation framework satisfying rigorous differential privacy guarantees with respect to the sensitive reference texts. It interprets sampling from the LLM's next-token-distribution as the exponential mechanism over the LLM logits with two innovations. First, we reduce the privacy cost by isolating and clipping only the sensitive information in the model logits (relative to the public logits). Second, we improve text quality by sampling without any privacy cost from a small superset of the top-$k$ private tokens. Empirical evaluations demonstrate a consistent $8\times$ (or more) reduction in computation cost over state-of-the-art baselines to generate long-form private text of the same utility across privacy levels. InvisibleInk is able to generate, for the first time, high-quality private long-form text at less than $4$-$8\times$ times the computation cost of non-private generation, paving the way for its practical use. We open-source a pip-installable Python package (invink) for InvisibleInk at https://github.com/cerai-iitm/invisibleink.
Authors: Wilka Carvalho, Sam Hall-McMaster, Honglak Lee, Samuel J. Gershman
Abstract: Humans can pursue a near-infinite variety of tasks, but typically can only pursue a small number at the same time. We hypothesize that humans leverage experience on one task to preemptively learn solutions to other tasks that were accessible but not pursued. We formalize this idea as Multitask Preplay, a novel algorithm that replays experience on one task as the starting point for "preplay" -- counterfactual simulation of an accessible but unpursued task. Preplay is used to learn a predictive representation that can support fast, adaptive task performance later on. We first show that, compared to traditional planning and predictive representation methods, multitask preplay better predicts how humans generalize to tasks that were accessible but not pursued in a small grid-world, even when people didn't know they would need to generalize to these tasks. We then show these predictions generalize to Craftax, a partially observable 2D Minecraft environment. Finally, we show that Multitask Preplay enables artificial agents to learn behaviors that transfer to novel Craftax worlds sharing task co-occurrence structure. These findings demonstrate that Multitask Preplay is a scalable theory of how humans counterfactually learn and generalize across multiple tasks; endowing artificial agents with the same capacity can significantly improve their performance in challenging multitask environments.
Authors: Vincenzo Marco De Luca, Giovanna Varni, Andrea Passerini
Abstract: Team modeling remains a fundamental challenge at the intersection of Artificial Intelligence and Social Sciences. Although a variety of computational models have been proposed in the last two decades, most fail to integrate Social Sciences insights, such as the critical role of temporal interactions in shaping team dynamics, and do not meet key practical requirements for real-world applications, including the ability to provide real-time, actionable recommendations to enhance team performance. To address these limitations, in this paper, we propose a novel tempo-relational neural architecture that jointly models interactions between team members and the evolution of team dynamics through temporal graphs. We additionally propose a multi-task extension of the architecture that learns shared social embeddings for team members enabling the simultaneous prediction of multiple team constructs (e.g., Emergent Leadership, Leadership Style, and Teamwork components). Experiments on two state-of-the-art team datasets show that our tempo-relational architecture out performs temporal-only and relational-only approaches for team performance prediction, and that its multi-task extension substantially reduces training and inference time without loss of predictive performance. Finally, the integration of explainability techniques within the proposed architectures provides interpretable insights and actionable recommendations to support team improvement. These strengths make our approach particularly well-suited for human-centered artificial intelligence applications, such as intelligent decision-support systems in high-stakes collaborative environments.
Authors: Jason Hartline, Lunjia Hu, Yifan Wu
Abstract: Calibration requires that predictions are conditionally unbiased and, therefore, reliably interpretable as probabilities. A calibration measure quantifies how far a predictor is from perfect calibration. As introduced by Haghtalab et al. (2024), a calibration measure is truthful if it is minimized in expectation when a predictor outputs the ground-truth probabilities. Predicting the true probabilities guarantees perfect calibration, but in reality, when calibration is evaluated on a random sample, all known calibration measures incentivize predictors to lie in order to appear more calibrated. Such lack of truthfulness motivated Haghtalab et al. (2024) and Qiao and Zhao (2025) to construct approximately truthful calibration measures in the sequential prediction setting, but no perfectly truthful calibration measure was known to exist even in the more basic batch setting. We design a simple, perfectly and strictly truthful, sound and complete calibration measure in the batch setting: averaged two-bin calibration error (ATB). ATB is quadratically related to two existing calibration measures: the smooth calibration error smCal and the lower distance to calibration distCal. The simplicity in our definition of ATB makes it efficient and straightforward to compute, allowing us to give the first linear-time calibration testing algorithm, improving a result of Hu et al. (2024). We also introduce a general recipe for constructing truthful measures based on the variance additivity of independent random variables, which proves the truthfulness of ATB as a special case and allows us to construct other truthful calibration measures such as quantile-binned l_2-ECE.
Authors: Joydeep Chandra, Prabal Manhas, Ramanjot Kaur, Rashi Sahay
Abstract: We present Aura-CAPTCHA, a multi-modal verification system that integrates Generative Adversarial Networks (GANs), Reinforcement Learning (RL), and behavioral analysis to create adaptive challenges resistant to classical deep-learning attacks. Our system synthesizes unique visual stimuli via GAN-based generation alongside synchronized audio challenges, while an RL agent adjusts difficulty based on real-time user interaction patterns. A hybrid classifier combining heuristic rules and machine learning distinguishes human from bot interactions. We position Aura-CAPTCHA relative to well-established baselines (text-based schemes, Google reCAPTCHA v2, audio alternatives, and modern invisible risk-analysis systems) and evaluate it against documented state-of-the-art attacks, including convolutional-neural-network solvers, object-detection pipelines (YOLO), and recent agentic vision-language models. Experimental results indicate that Aura-CAPTCHA improves human success rates and lowers classical bypass rates compared to static challenge-based baselines, although, like all explicit-challenge systems, it remains vulnerable to emerging large-model agents. We discuss these limitations transparently and outline future directions toward cognitive-gap-based defenses.
Authors: Qiyu Chen, Guozhang Chen
Abstract: The remarkable success of modern AI has been closely tied to scaling laws, yet the finite supply of high-quality data makes data efficiency--learning more from less--an increasingly important frontier. A model's inductive bias is a critical lever for data efficiency, but foundational sequence models such as State Space Models (SSMs) often rely on fixed, task-agnostic biases. When this fixed prior is misaligned with the underlying structure of a task, the model may require additional samples to overcome its own bias before learning the relevant signal. In this work, we introduce a principled framework for understanding and aligning the inductive bias of linear time-invariant SSMs. We first formalize this bias through an SSM-induced kernel and show theoretically and empirically that its spectrum is governed by the model's frequency response. This characterization motivates Task-Dependent Initialization (TDI), a fast power-spectrum matching method that aligns the initial SSM bias with the task's spectral characteristics before downstream training. Across controlled synthetic experiments, trainable one-layer SSMs, and deep SSMs on diverse real-world benchmarks, TDI can improve data-efficient generalization primarily when task-relevant spectral structure is present and the default SSM bias is spectrally mismatched. Our results provide both a theoretical lens and a practical tool for task-adaptive inductive bias, suggesting a path toward more data-efficient sequence modeling.
Authors: Larissa Reichart, Cem Ata Baykara, Ali Burak \"Unal, Harlin Lee, Mete Akg\"un
Abstract: Unsupervised multi-source domain adaptation (UMDA) leverages labeled data from multiple source domains to generalize to an unlabeled target. While federated UMDA addresses privacy by avoiding raw data sharing, existing methods scale poorly as the number of sources increases, often suffering from high computational overhead or training instability. We propose GALA, a scalable and robust federated UMDA framework designed for high-diversity settings. GALA achieves scalability by coupling a novel inter-group discrepancy minimization objective that approximates pairwise alignment with linear complexity alongside a temperature-controlled, centroid-based weighting strategy for dynamic source prioritization. These components enable stable, parallelizable training across many heterogeneous sources, addressing a critical scalability bottleneck that remains largely unaddressed in current literature. To evaluate performance in high-diversity scenarios, we introduce Digit-18, a new benchmark comprising 18 datasets with varied synthetic and real-world domain shifts. Extensive experiments demonstrate that GALA achieves state-of-the-art results on standard benchmarks and significantly outperforms prior methods in large-scale settings where others either fail to converge or become computationally infeasible.
Authors: Zhihan Zhang, Xunkai Li, Yilong Zuo, Henan Sun, Zhenjun Li, Bing Zhou, Rong-Hua Li, Guoren Wang
Abstract: Text-attributed graphs (TAGs) have become a key form of graph-structured data in modern data management and analytics, combining structural relationships with rich textual semantics for diverse applications. However, the effectiveness of analytical models, particularly graph neural networks (GNNs), is highly sensitive to data quality. Our empirical analysis shows that both conventional and LLM-enhanced GNNs degrade notably under textual, structural, and label imperfections, underscoring TAG quality as a key bottleneck for reliable analytics. Existing studies have explored data-level optimization for TAGs, but most focus on specific degradation types and target a single aspect like structure or label, lacking a systematic and comprehensive perspective on data quality improvement. To address this gap, we propose LAGA (Large Language and Graph Agent), a unified multi-agent framework for comprehensive TAG quality optimization. LAGA formulates graph quality control as a data-centric process, integrating detection, planning, action, and evaluation agents into an automated loop. It holistically enhances textual, structural, and label aspects through coordinated multi-modal optimization. Extensive experiments on 5 datasets and 16 baselines across 9 scenarios demonstrate the effectiveness, robustness and scalability of LAGA, confirming the importance of data-centric quality optimization for reliable TAG analytics.
Authors: Khang Ngo, Siamak Ravanbakhsh
Abstract: We present an empirical study in the geometric task of learning interatomic potentials, which shows equivariance matters even more at larger scales; we show a clear power-law scaling behaviour with respect to data, parameters and compute with ``architecture-dependent exponents''. In particular, we observe that equivariant architectures, which leverage task symmetry, scale better than non-equivariant models. Moreover, among equivariant architectures, higher-order representations translate to better scaling exponents. Our analysis also suggests that for compute-optimal training, the data and model sizes should scale in tandem regardless of the architecture. At a high level, these results suggest that, contrary to common belief, we should not leave it to the model to discover fundamental inductive biases such as symmetry, especially as we scale, because they change the inherent difficulty of the task and its scaling laws.
Authors: Aviv Ratzon, Omri Barak
Abstract: Predictive learning has emerged as a central paradigm for training models across diverse data domains and is increasingly viewed as a foundation for modern artificial intelligence. A common intuition for this success is that accurate prediction requires models to capture the underlying dynamics of the environment, leading to the emergence of structured world models. However, predictive learning does not universally yield such representations, and a mechanistic account of when and why it does remains incomplete. In this work, we identify the prediction horizon as a critical, but often implicit, component of predictive learning objectives. We show that increasing the prediction horizon fundamentally shapes the effective structure of the learning problem. In a minimal setting, we demonstrate both theoretically and empirically that the model's implicit biases interact with this structural change to recover the latent geometry of the task. We then extend these empirical results to nonlinear architectures and more complex datasets, where similar phenomena persist. These findings provide a principled explanation for the emergence of structured representations in predictive learning paradigms and clarify the conditions under which such representations should be expected.
Authors: Prabodh Katti, Houssem Sifaou, Sangwoo Park, Bipin Rajendran, Osvaldo Simeone
Abstract: On-device fine-tuning is a critical capability for edge AI systems, which must support adaptation to different agentic tasks under stringent memory constraints. Conventional backpropagation (BP)-based training requires storing layer activations and optimizer states, a demand that can be only partially alleviated through checkpointing. In edge deployments in which the model weights must reside entirely in device memory, this overhead severely limits the maximum model size that can be deployed. Memory-efficient zeroth-order optimization (MeZO) alleviates this bottleneck by estimating gradients using forward evaluations alone, eliminating the need for storing intermediate activations or optimizer states. This enables significantly larger models to fit within on-chip memory, albeit at the cost of potentially longer fine-tuning wall-clock time. This paper first provides a theoretical estimate of the relative model sizes that can be accommodated under BP and MeZO training. We then numerically validate the analysis, demonstrating that MeZO exhibits accuracy advantages under on-device memory constraints, provided sufficient wall-clock time is available for fine-tuning.
Authors: Nathan M. Roberts II, Xiaosong Du
Abstract: The rapid advancement of electric vertical takeoff and landing (eVTOL) aircraft offers a promising opportunity to alleviate urban traffic congestion but is still limited by excessive power demands, especially during the takeoff phase. Thus, developing optimal takeoff trajectories for minimum energy consumption becomes essential for broader eVTOL aircraft applications. Conventional optimal control methods (such as dynamic programming and linear quadratic regulator) provide highly efficient and well-established solutions but are prohibited by problem dimensionality and complexity. Deep reinforcement learning (DRL) emerges as a special type of artificial intelligence tackling complex, nonlinear systems; however, the training difficulty is a key bottleneck that hinders DRL applications. To address these challenges, we propose the transformer-guided DRL to alleviate the training difficulty by exploring a realistic state space at each time step using a transformer. The proposed transformer-guided DRL was demonstrated on an optimal takeoff trajectory design of an eVTOL drone for minimal energy consumption while meeting takeoff conditions (i.e., minimum vertical displacement and minimum horizontal velocity) by varying control variables (i.e., power and wing angle to the vertical). Results presented that the transformer-guided DRL agent learned to take off with $4.57\times10^6$ time steps, representing $25\%$ of the $19.79\times10^6$ time steps needed by a vanilla DRL agent. In addition, the transformer-guided DRL achieved $97.2\%$ accuracy on the optimal energy consumption compared against the simulation-based optimal reference, while the vanilla DRL achieved $96.1\%$ accuracy. Therefore, the proposed transformer-guided DRL outperformed vanilla DRL in terms of both training efficiency and optimal design verification.
Authors: Dongseok Kim, Hyoungsun Choi, Mohamed Jismy Aashik Rasool, Gisung Oh
Abstract: Conformal regression provides finite-sample marginal coverage, but it does not by itself determine how interval width should adapt across heterogeneous inputs. Existing locally adaptive methods mainly account for aleatoric noise, leaving uncertainty from weak training support less explicit. We propose Conformal Laplace-Aware Predictive Scaling (CLAPS), a split conformal regression method that uses heteroscedastic last-layer Laplace uncertainty as the local normalization scale. CLAPS combines learned input-dependent noise with last-layer epistemic uncertainty, while retaining validity through standard conformal calibration. We characterize this aleatoric--epistemic scale, derive its heteroscedastic last-layer precision, and show that it reduces to aleatoric local scaling as epistemic uncertainty contracts. Experiments show nominal-level coverage with competitive interval efficiency.
Authors: Prakhar Gupta, Vaibhav Gupta
Abstract: Post-training with reinforcement learning (RL) typically optimizes a single scalar objective and ignores structure in how solutions are produced. We ask whether a scalar hint toward a canonical solver ordering, used only during RL post-training, improves performance even when fine-tuned on randomized solution sequences. On Zebra puzzles, we fine-tune a Transformer on randomized solution orders, then post-train it with Group Relative Policy Optimization (GRPO) using two rewards: a sparse task reward that is 1 only when the puzzle is fully solved, and an ordering reward that increases when the model's emission order aligns with the canonical solver order. To compare signals cleanly, we combine them via fixed mixtures and use a simple bootstrapped scaling to equalize component magnitudes at initialization. Mixed rewards generally outperform task-only optimization, suggesting that coarse ordering signals can steer RL post-training toward canonical trajectories without modifying supervised data or architecture.
Authors: Patrick Egenlauf, Iva B\v{r}ezinov\'a, Sabine Andergassen, Miriam Klopotek
Abstract: Out-of-equilibrium quantum many-body systems exhibit rapid correlation buildup that underlies many emerging phenomena. Exact wave-function methods to describe this scale exponentially with particle number; simpler mean-field approaches neglect essential two-particle correlations. The time-dependent two-particle reduced density matrix (TD2RDM) formalism offers a middle ground by propagating the two-particle reduced density matrix (2RDM) and closing the BBGKY hierarchy with a reconstruction of the three-particle cumulant. But the validity and existence of time-local reconstruction functionals ignoring memory effects remain unclear across different dynamical regimes. We show that a neural ODE model trained on exact 2RDM data (no dimensionality reduction) can reproduce its dynamics without any explicit three-particle information -- but only in parameter regions where the Pearson correlation between the two- and three-particle cumulants is large. In the anti-correlated or uncorrelated regime, the neural ODE fails, indicating that no simple time-local functional of the instantaneous two-particle cumulant can capture the evolution. The magnitude of the time-averaged three-particle-correlation buildup appears to be the primary predictor of success: For a moderate correlation buildup, both neural ODE predictions and existing TD2RDM reconstructions are accurate, whereas stronger values lead to systematic breakdowns. These findings pinpoint the need for memory-dependent kernels in the three-particle cumulant reconstruction for the latter regime. Our results place the neural ODE as a model-agnostic diagnostic tool that maps the regime of applicability of cumulant expansion methods and guides the development of non-local closure schemes. More broadly, the ability to learn high-dimensional RDM dynamics from limited data opens a pathway to fast, data-driven simulation of correlated quantum matter.
Authors: Xudong Ling, Chaorong Li, Tianxi Huang, Qian Dong, Guiduo Duan
Abstract: Short-term precipitation nowcasting is an inherently uncertain and under-constrained spatiotemporal forecasting problem, especially for rapidly evolving and extreme weather events. Existing generative approaches rely primarily on visual conditioning, leaving future motion weakly constrained and ambiguous. We propose a language-aware multimodal nowcasting framework(LangPrecip) that treats meteorological text as a semantic motion constraint on precipitation evolution. By formulating nowcasting as a semantically constrained trajectory generation problem under the Rectified Flow paradigm, our method enables efficient and physically consistent integration of textual and radar information in latent space.We further introduce LangPrecip-160k, a large-scale multimodal dataset with 160k paired radar sequences and motion descriptions. Experiments on Swedish and MRMS datasets show consistent improvements over state-of-the-art methods, achieving over 60 \% and 19\% gains in heavy-rainfall CSI at an 80-minute lead time.
Authors: Kenneth Gee, Sai Ravela
Abstract: Tropical cyclones are among the most consequential weather hazards, yet estimates of their risk are limited by the relatively short historical record. To extend these records, researchers often generate large ensembles of synthetic storms using simplified models of cyclone intensification. Developing such models, however, has traditionally required substantial theoretical effort. Here we explore whether equation-discovery methods, a class of data-driven techniques designed to infer governing equations, can accelerate the process of developing simplified intensification models. Using observational storm data (IBTrACS) together with environmental conditions from reanalysis (ERA5), we learn a compact stochastic differential equation describing tropical cyclone intensity evolution. We focus on TCs because their dynamics are well studied and a hierarchy of reduced-order models exist, enabling direct comparison of the learned model to physically-derived counterparts. We find that the learned model simulates synthetic TCs whose intensification statistics and hazard estimates are consistent with observations and competitive with a leading physics-based TC intensification model. Our model also reproduces known nonlinear dynamical behavior of tropical cyclones, including as a saddle node bifurcation as inner core ventilation is increased. This result shows that equation-discovery approaches, when applied directly to storm intensity, can recover not only realistic statistics but also physically meaningful dynamical structure. These findings highlight the potential for data-driven methods to complement existing theory and reduced-order models in the study of extreme weather.
Authors: Jianxiong Zhang, Bing Guo, Yuming Jiang, Haobo Wang, Bo An, Sean Du
Abstract: Large reasoning models (LRMs) often generate long, seemingly coherent reasoning traces yet still produce incorrect answers, making hallucination detection challenging. Although trajectories contain useful signals, directly using trace text or vanilla hidden states for detection is brittle: traces vary in form and detectors can overfit to superficial patterns rather than answer validity. We introduce Answer-agreement Representation Shaping (ARS), which learns detection-friendly trace-conditioned representations by explicitly encoding answer stability. ARS generates counterfactual answers through small latent interventions, specifically, perturbing the trace-boundary embedding, and labels each perturbation by whether the resulting answer agrees with the original. It then learns representations that bring answer-agreeing states together and separate answer-disagreeing ones, exposing latent instability indicative of hallucination risk. The shaped embeddings are plug-and-play with existing embedding-based detectors and require no human annotations during training. Experiments demonstrate that ARS consistently improves detection and achieves substantial gains over strong baselines. Code is available at: https://github.com/radiolab-ntu/ars_icml2026.
Authors: Alexandre Alouadi, Pierre Henry-Labord\`ere, Gr\'egoire Loeper, Othmane Mazhar, Huy\^en Pham, Nizar Touzi
Abstract: The Schrodinger Bridge and Bass (SBB) formulation, which jointly controls drift and volatility, is an established extension of the classical Schrodinger Bridge (SB). Building on this framework, we introduce LightSBB-M, an algorithm that computes the optimal SBB transport plan in only a few iterations. The method exploits a dual representation of the SBB objective to obtain analytic expressions for the optimal drift and volatility, and it incorporates a tunable parameter beta greater than zero that interpolates between pure drift (the Schrodinger Bridge) and pure volatility (Bass martingale transport). We show that LightSBB-M achieves the lowest 2-Wasserstein distance on synthetic datasets against state-of-the-art SB and diffusion baselines with up to 32 percent improvement. We also illustrate the generative capability of the framework on an unpaired image-to-image translation task (adult to child faces in FFHQ). These findings demonstrate that LightSBB-M provides a scalable, high-fidelity SBB solver that outperforms existing SB and diffusion baselines across both synthetic and real-world generative tasks. The code is available at https://github.com/alexouadi/LightSBB-M.
Authors: Mengfan Liu, Da Zheng, Junwei Su, Chuan Wu
Abstract: Full-graph and mini-batch Graph Neural Network (GNN) training approaches have distinct system design demands, making it crucial to choose the appropriate approach to develop. A core challenge in comparing these two GNN training approaches lies in characterizing their model performance (i.e., convergence and generalization) and computational efficiency. While a batch size has been an effective lens in analyzing such behaviors in deep neural networks (DNNs), GNNs extend this lens by introducing a fan-out size, as full-graph training can be viewed as mini-batch training with the largest possible batch size and fan-out size. However, the impact of the batch and fan-out size for GNNs remains insufficiently explored. To this end, this paper systematically compares full-graph vs. mini-batch training of GNNs through empirical and theoretical analyses from the view points of the batch size and fan-out size. Our key contributions include: 1) We provide a novel generalization analysis using the Wasserstein distance to study the impact of the graph structure, especially the fan-out size. 2) We uncover the non-isotropic effects of the batch size and the fan-out size in GNN convergence and generalization, providing practical guidance for tuning these hyperparameters under resource constraints. Finally, full-graph training does not always yield better model performance or computational efficiency than well-tuned smaller mini-batch settings. The implementation can be found in the github link: https://github.com/LIUMENGFAN-gif/GNN_fullgraph_minibatch_training.
URLs: https://github.com/LIUMENGFAN-gif/GNN_fullgraph_minibatch_training.
Authors: Chen Liu, Xingzhi Sun, Xi Xiao, Alexandre Van Tassel, Ke Xu, Kristof Reimann, Danqi Liao, Mark Gerstein, Tianyang Wang, Xiao Wang, Smita Krishnaswamy
Abstract: Large language models (LLMs) achieve remarkable performance through ever-increasing parameter counts, but scaling incurs steep computational costs. To better understand LLM scaling, we study representational differences between LLMs and their smaller counterparts, with the goal of replicating the representational qualities of larger models in smaller models. We observe a geometric phenomenon which we term $\textbf{embedding condensation}$, where token embeddings collapse into a narrow cone-like subspace in some language models. Through systematic analyses across multiple Transformer families, we show that small models such as $\texttt{GPT2}$ and $\texttt{Qwen3-0.6B}$ exhibit severe condensation, whereas larger models such as $\texttt{GPT2-xl}$ and $\texttt{Qwen3-32B}$ are more resistant to this phenomenon. Additional observations show that embedding condensation is not reliably mitigated by knowledge distillation from larger models. To fight against it, we formulate a dispersion loss that explicitly encourages embedding dispersion during training. Experiments demonstrate that it mitigates condensation, recovers dispersion patterns seen in larger models, and yields performance gains across 10 benchmarks. We believe this work offers a principled path toward improving smaller Transformers without additional parameters.
Authors: Jinbin Bai, Yixuan Li, Yuchen Zhu, Yi Xin, Qingyu Shi, Aosong Feng, Xiaohong Liu, Molei Tao, Jianru Xue, Xiangtai Li, Ming-Hsuan Yang
Abstract: Inference-time compute has re-emerged as a practical way to improve LLM reasoning. Most test-time scaling (TTS) algorithms rely on autoregressive decoding, which is ill-suited to discrete diffusion language models (dLLMs) due to their parallel decoding over the entire sequence. As a result, developing effective and efficient TTS methods to unlock dLLMs' full generative potential remains an underexplored challenge. To address this, we propose Prism (Pruning, Remasking, and Integrated Self-verification Method), an efficient TTS framework for dLLMs that (i) performs Hierarchical Trajectory Search (HTS) which dynamically prunes and reallocates compute in an early-to-mid denoising window, (ii) introduces Local branching with partial remasking to explore diverse implementations while preserving high-confidence tokens, and (iii) replaces external verifiers with Self-Verified Feedback (SVF) obtained via self-evaluation prompts on intermediate completions. Across four mathematical reasoning and code generation benchmarks on three dLLMs, including LLaDA 8B Instruct, Dream 7B Instruct, and LLaDA 2.0-mini, our Prism achieves a favorable performance-efficiency trade-off, matching best-of-N performance with substantially fewer function evaluations (NFE). The code is released at https://github.com/viiika/Prism.
Authors: Andrew Gracyk
Abstract: We present pseudo-differential enhanced physics-informed neural networks (PINNs), an extension of gradient enhancement but in Fourier space. Gradient enhancement of PINNs dictates that the PDE residual is taken to a higher differential order than prescribed by the PDE, added to the objective as an augmented term in order to improve training and overall learning fidelity. We propose the same procedure after application via Fourier transforms, since differentiating in Fourier space is multiplication with the Fourier wavenumber under suitable decay. Our methods are fast and efficient. Our methods oftentimes achieve superior PINN versus numerical error in fewer training iterations, potentially pair well with few samples in collocation, and can on occasion break plateaus in low collocation settings. Moreover, our methods are suitable for fractional derivatives. We establish that our methods, due to the dynamical effects, improve spectral eigenvalue decay of the neural tangent kernel (NTK), and so our methods contribute towards the learning of high frequencies in early training, mitigating the effects of frequency bias up to the polynomial order and possibly greater with smooth activations. Our methods accommodate advanced techniques in PINNs, such as Fourier feature embeddings. A pitfall of discrete Fourier transforms via the Fast Fourier Transform (FFT) is mesh subjugation, and so we demonstrate compatibility of our methods for greater mesh flexibility and invariance on alternative Euclidean and non-Euclidean domains via Monte Carlo methods and otherwise.
Authors: Junchen Liu, Sven Elflein, Or Litany, Zan Gojcic, Ruilong Li
Abstract: Test-time training (TTT) with KV binding as sequence modeling layer is commonly interpreted as a form of online meta-learning that memorizes a key-value mapping at test time. However, our analysis reveals multiple phenomena that contradict this memorization-based interpretation. Motivated by these findings, we revisit the formulation of TTT and show that a broad class of TTT architectures can be expressed as a form of learned linear attention operator. Beyond explaining previously puzzling model behaviors, this perspective yields multiple practical benefits: it enables principled architectural simplifications, admits fully parallel formulations that preserve performance while improving efficiency, and provides a systematic reduction of diverse TTT variants to a standard linear attention form. Overall, our results reframe TTT not as test-time memorization, but as learned linear attention with enhanced representational capacity. Project page: https://research.nvidia.com/labs/sil/projects/tttla/.
Authors: Yu Zhang, Songwei Liu, Chenqian Yan, Sheng Lin, Beichen Ning, Fangmin Chen, Xing Wang
Abstract: Attention scales quadratically with sequence length, fundamentally limiting long-context inference. Existing block-granularity sparsification can reduce latency, but coarse blocks impose an intrinsic sparsity ceiling, making further improvements difficult even with carefully engineered designs. We present S2O, which performs early stopping for sparse attention via online permutation. Inspired by virtual-to-physical address mapping in memory systems, S2O revisits and factorizes FlashAttention execution, enabling inference to load non-contiguous tokens rather than a contiguous span in the original order. Motivated by fine-grained structures in attention heatmaps, we transform explicit permutation into an online, index-guided, discrete loading policy; with extremely lightweight preprocessing and index-remapping overhead, it concentrates importance on a small set of high-priority blocks. Building on this importance-guided online permutation for loading, S2O further introduces an early-stopping rule: computation proceeds from high to low importance; once the current block score falls below a threshold, S2O terminates early and skips the remaining low-contribution blocks, thereby increasing effective sparsity and reducing computation under a controlled error budget. As a result, S2O substantially raises the practical sparsity ceiling. On Llama-3.1-8B under a 128K context, S2O reduces single-operator MSE by 3.82$\times$ at matched sparsity, and reduces prefill compute density by 3.31$\times$ at matched MSE; meanwhile, it preserves end-to-end accuracy and achieves 7.51$\times$ attention and 3.81$\times$ end-to-end speedups.
Authors: Tanishq Kumar, Tri Dao, Avner May
Abstract: Autoregressive decoding is bottlenecked by its sequential nature. Speculative decoding has become a standard way to accelerate inference by using a fast draft model to predict upcoming tokens from a slower target model, and then verifying them in parallel with a single target model forward pass. However, speculative decoding itself relies on a sequential dependence between speculation and verification. We introduce speculative speculative decoding (SSD) to parallelize these operations. While a verification is ongoing, the draft model predicts likely verification outcomes and prepares speculations pre-emptively for them. If the actual verification outcome is then in the predicted set, a speculation can be returned immediately, eliminating drafting overhead entirely. We identify three key challenges presented by speculative speculative decoding, and suggest principled methods to solve each. The result is Saguaro, an optimized SSD algorithm. Our implementation is on average 30% faster than optimized speculative decoding baselines and up to 5x faster than autoregressive decoding with open source inference engines.
Authors: Zonglin Yang, Lidong Bing
Abstract: While large language models (LLMs) show promise in scientific discovery, existing research focuses on inference or feedback-driven training, leaving the direct modeling of the generative reasoning process, $P(\text{hypothesis}|\text{background})$ ($P(h|b)$), unexplored. We demonstrate that directly training $P(h|b)$ is mathematically intractable due to the combinatorial complexity ($O(N^k)$) inherent in retrieving and composing inspirations from a vast knowledge base. To break this barrier, we introduce MOOSE-Star, a unified framework enabling tractable training and scalable inference. In the best case, MOOSE-Star reduces complexity from exponential to logarithmic ($O(\log N)$) by (1) training on decomposed subtasks derived from the probabilistic equation of discovery, (2) employing motivation-guided hierarchical search to enable logarithmic retrieval and prune irrelevant subspaces, and (3) utilizing bounded composition for robustness against retrieval noise. To facilitate this, we release TOMATO-Star, a dataset of 108,717 decomposed papers (38,400 GPU hours) for training. Furthermore, we show that while brute-force sampling hits a "complexity wall," MOOSE-Star exhibits continuous test-time scaling.
Authors: Chen-Yu Liu, Leonardo Placidi, Eric Brunner, Enrico Rinaldi
Abstract: We study a practical question in generative quantum machine learning: given a classical dataset, can we determine, before training, whether it is well suited to a quantum generative model? We focus on a class of quantum circuits known as instantaneous quantum polynomial-time (IQP) circuits, whose output distributions are widely believed to be difficult to sample from using classical methods. These circuits are used to build our quantum generative models. We introduce a Correlation-Complexity Map, a simple diagnostic built from two quantities computed from data samples. The first measures how closely the dataset's spectral correlation patterns resemble those naturally produced by IQP circuits, while the second quantifies how much of the dataset's structural correlation cannot be captured by simple pairwise models. In other words, we can estimate beforehand how well a dataset can be approximated by our model family and also how complex its correlations are, indicating possible failures of classical models. Applying this framework, we identify turbulence data as a promising target for quantum generative modeling. Guided by this analysis, we use a latent-parameter adaptation scheme that reuses a compact IQP circuit over a temporal sequence by learning and interpolating a low-dimensional latent trajectory, and observe competitive performance against classical baselines in a low-data, low-parameter regime. These results suggest that dataset-level diagnostics can help prioritize problems where quantum generative models are most likely to be useful, with improvements in data and parameter efficiency.
Authors: Rickard Br\"annvall
Abstract: Federated learning (FL) under data heterogeneity remains challenging: existing methods either ignore client differences (FedAvg), require costly cluster discovery (IFCA), or maintain per-client models (Ditto). All degrade when data is sparse or heterogeneity is multi-dimensional. We propose conditioning a single global model on locally-computed PCA statistics of each client's training data, requiring zero additional communication. Evaluating across 97~configurations spanning four heterogeneity types (label shift, covariate shift, concept shift, and combined heterogeneity), four datasets (MNIST, Fashion-MNIST, CIFAR-10, CIFAR-100), and seven FL baseline methods, we find that our method matches the Oracle baseline -- which knows true cluster assignments -- across all settings, surpasses it by 1--6% on combined heterogeneity where continuous statistics are richer than discrete cluster identifiers, and is uniquely sparsity-robust among all tested methods.
Authors: Hyunji Nam, Haoran Li, Natasha Jaques
Abstract: While post-training has successfully improved large language models (LLMs) across a variety of domains, these gains heavily rely on human-labeled data or external verifiers. Existing data has already been exploited, and new high-quality data is expensive to collect. More fundamentally, true intelligence goes far beyond tasks that are easily verifiable. Therefore, we need self-improvement frameworks that allow models to improve without heavily relying on external oversight. We propose Mutual Information Preference Optimization (MIPO), a contrastive data augmentation method that constructs preference pairs by generating a positive response conditioning on the correct prompt, and a negative response by conditioning on a random, unrelated prompt. We show that using Direct Preference Optimization (DPO) to learn from this paired data maximizes pointwise conditional mutual information (MI), under the base LLM, between prompts and model responses. Empirical results with various-sized Llama- and Qwen-Instruct models show that when used to maximize MI between user context and response, MIPO provides an effective personalization technique, achieving 3-40% gains on personalized instruction-following compared to strong prompting baselines. Surprisingly, MIPO can also be applied to math and multiple-choice problem solving, yielding 1-18% gains without any additional data or human supervision. These results suggest a promising direction for self-improvement using intrinsic signals derived from contrastive data pairs.
Authors: Andrew Lowy
Abstract: We study stochastic convex optimization (SCO) with heavy-tailed gradients under pure $\varepsilon$-differential privacy (DP). Instead of assuming a bound on the worst-case Lipschitz parameter of the loss, we assume only a bounded $k$-th moment. This assumption allows for unbounded, heavy-tailed stochastic gradient distributions, and can yield sharper excess risk bounds. Prior work characterized the minimax optimal rate for $\rho$-zero-concentrated DP SCO up to logarithmic factors in this setting, but the pure $\varepsilon$-DP case has remained open. We characterize the minimax optimal excess-risk rate for pure $\varepsilon$-DP heavy-tailed SCO up to logarithmic factors. Our algorithm achieves this rate in polynomial time with high probability. Moreover, it runs in deterministic polynomial time when the worst-case Lipschitz parameter is polynomially bounded. For important structured problem classes -- including hinge/ReLU-type and absolute-value losses on Euclidean balls, ellipsoids, and polytopes -- we achieve deterministic polynomial time even when the worst-case Lipschitz parameter is infinite. Our approach is based on a novel framework for privately optimizing Lipschitz extensions of the empirical loss. We complement our upper bound with a nearly matching high-probability lower bound.
Authors: Yubai Wei, Chen Wu, Hashem Haghbayan
Abstract: Vision-Language-Action (VLA) models map multimodal inputs directly to robot actions and are typically trained through large-scale imitation learning. While this paradigm has shown strong performance, prevailing VLA training procedures do not explicitly supervise hard physical constraints such as obstacle avoidance or kinematic feasibility. As a result, the geometric structure underlying physically feasible behavior must be inferred only implicitly from demonstrations. In this paper, we study whether introducing explicit feasibility supervision can provide effective structured guidance for VLA policies. We formulate a simple geometry-grounded feasibility objective and integrate it into the training stage of a diffusion-based VLA policy. To evaluate this idea systematically, we use obstacle-aware manipulation as a controlled probe of geometry-dependent physical feasibility. Empirical results show that augmenting VLA training with feasibility supervision improves both physical reliability and overall task performance, while also enhancing learning efficiency in the low-data regime. These findings indicate that explicit feasibility signals can effectively complement imitation-based VLA learning, highlighting their potential for developing more reliable VLA policies.
Authors: Xiaoyuan Cheng, Haoyu Wang, Wenxuan Yuan, Ziyan Wang, Zonghao Chen, Li Zeng, Zhuo Sun
Abstract: Recent advances in flow-based offline reinforcement learning (RL) have achieved strong performance by parameterizing policies via flow matching. However, they still face critical trade-offs among expressiveness, optimality, and efficiency. In particular, existing flow policies interpret the $L_2$ regularization as an upper bound of the 2-Wasserstein distance ($W_2$), which can be problematic in offline settings. This issue stems from a fundamental geometric mismatch: the behavioral policy manifold is inherently anisotropic, whereas the $L_2$ (or upper bound of $W_2$) regularization is isotropic and density-insensitive, leading to systematically misaligned optimization directions. To address this, we revisit offline RL from a geometric perspective and show that policy refinement can be formulated as a local transport map: an initial flow policy augmented by a residual displacement. By analyzing the induced density transformation, we derive a local quadratic approximation of the KL-constrained objective governed by the Fisher information matrix, enabling a tractable anisotropic optimization formulation. By leveraging the score function embedded in the flow velocity, we obtain a corresponding quadratic constraint for efficient optimization. Our results reveal that the optimality gap in prior methods arises from their isotropic approximation. In contrast, our framework achieves a controllable approximation error within a provable neighborhood of the optimal solution. Extensive experiments demonstrate state-of-the-art performance across diverse offline RL benchmarks. See project page: https://github.com/ARC0127/Fisher-Decorator.
Authors: Donghwan Lee
Abstract: Q-learning is a fundamental algorithmic primitive in reinforcement learning. This paper develops a new framework for analyzing Q-learning from a switching-system viewpoint. In particular, we derive a direct stochastic switching-system representation of the Q-learning error. The key observation is that the Bellman maximization error can be expressed exactly as an average of action-wise Q-errors under a suitable stochastic policy. The resulting recursion has a switched linear conditional-mean drift and martingale-difference noise. To the best of our knowledge, this is the first convergence-rate analysis of standard Q-learning whose leading exponential rate is expressed through the joint spectral radius (JSR) of a direct switching family. Since the JSR is the exact worst-case exponential rate of the associated switched linear drift, the resulting rate is among the tightest drift-based rates that can be certified for this Q-learning representation. Building on this representation, we prove finite-time bounds based on a product-defined JSR-induced Lyapunov function and also give an optional common quadratic Lyapunov certificate. The quadratic certificate is only a sufficient condition and hence applies only to instances for which the certificate is feasible, whereas the JSR-induced Lyapunov construction applies to the full direct switching family whenever its JSR is below one. When feasible, the quadratic certificate replaces product-based verification by a computable matrix inequality and gives a simpler stochastic bound. We further extend the framework to Markovian observation models.
Authors: Kang Liu, Jianchen Hu, Wei Peng
Abstract: Classical ReLU-based Input Convex Neural Networks (ICNNs) are equivalent to the optimal value functions of Linear Programming (LP). This intrinsic structural equivalence restricts their representational capacity to piecewise-linear polyhedral functions. To overcome this representational bottleneck, we propose the SOC-ICNN, an architecture that generalizes the underlying optimization class from LP to Second-Order Cone Programming (SOCP). By explicitly injecting positive semi-definite curvature and Euclidean norm-based conic primitives, our formulation introduces native smooth curvature into the representation while preserving a rigorous optimization-theoretic interpretation. We formally prove that SOC-ICNNs strictly expand the representational space of ReLU-ICNNs without increasing the asymptotic order of forward-pass complexity. Extensive experiments demonstrate that SOC-ICNN substantially improves function approximation, while delivering competitive downstream decision quality. The code is available at https://anonymous.4open.science/r/SOC-ICNN-4B18/.
Authors: Isaac Tosin Adisa
Abstract: Objective: To propose and retrospectively validate an integrated framework addressing three barriers to clinical translation of readmission prediction: lack of explainability, absence of deployment reliability infrastructure, and inadequate demographic fairness evaluation. Materials and Methods: We constructed a cohort of 415231 adult admissions from the MIMIC-IV database (30-day readmission prevalence 18.0%), split 70/15/15. Logistic regression, XGBoost, and LightGBM models were trained on 26 features. SHAP provided per-patient explanations. Fairness was evaluated across 16 subgroups using AUC-ROC, false negative rate (FNR), and positive predictive value (PPV). Calibration was assessed using Brier scores and calibration curves. Results: XGBoost achieved AUC-ROC 0.696 (95% CI 0.691-0.701), outperforming or matching the LACE baseline (AUC 0.60-0.68). LightGBM achieved best calibration (Brier 0.146). Prior admissions were the dominant predictor. All subgroups met equity thresholds (delta AUC <= 0.05, delta FNR <= 0.10). Conclusion: This framework delivers competitive performance, clinically actionable explanations, and strong demographic equity. Code is publicly available at https://github.com/Tomisin92/readmission-prediction.
Authors: A. Yermekov, D. A. Herrera-Mart\'i
Abstract: Feature selection in high-dimensional genomic data ($d \gg n$) demands methods that are simultaneously accurate, sparse, and stable. Existing approaches either require manual threshold specification (mRMR, stability selection), produce unstable selections under data perturbation (Lasso, Boruta), or ignore biological structure entirely. We introduce StackFeat-RL, a meta-learning framework that optimises the hyperparameters of an iterative dual-criterion feature selection algorithm via REINFORCE policy gradients. The dual criterion, requiring both coefficient consistency and selection frequency, guards against two failure modes missed by single-criterion methods, while iterative accumulation provides convergence guarantees via the law of large numbers. On COVID-19 miRNA data (GSE240888, 332 features) and three Alzheimer's disease classification tasks (GSE84422, 13237 genes; Normal vs.\ Possible, Probable, and Definite AD), StackFeat-RL achieves the highest predictive accuracy among all evaluated methods, including ElasticNet, Boruta, mRMR, and stability selection, while requiring 3--4$\times$ fewer features. Keywords: feature selection, reinforcement learning, REINFORCE, elastic net, biomarker discovery, Alzheimer's disease, dual-criterion selection, protein interaction networks
Authors: Thomas Carmichael
Abstract: Activation monitoring can catch confident errors in autoregressive transformers only if training preserved an internal decision-quality signal that output confidence does not expose. Monitorability is an architectural property before it is a monitor-design problem. We define observability: the linear readability of per-token decision quality from frozen mid-layer activations after controlling for max-softmax confidence and activation norm. Confidence controls absorb on average 60.3% of raw probe signal across 14 models in 6 families. Observability is not a generic property of transformers. In Pythia's controlled suite, all three tested runs at the 24-layer, 16-head configuration collapse to rho_partial ~0.10 across a 3.5x parameter gap and two Pile variants, while six other configurations occupy a separated healthy band from 0.21 to 0.38. The output-controlled residual r_OC collapses at the same points; neither nonlinear probes nor layer sweeps recover healthy-range signal. Checkpoint dynamics localize the cause: both matched-width configurations form the signal at the earliest measured checkpoint, and training erases it in the 1.4B even as it reaches lower final loss than the 1B. Across independent recipes the collapse map changes but the phenomenon persists. Qwen 2.5 and Llama differ by 2.9x at matched 3B scale, with probe-seed distributions that do not overlap. Mistral 7B v0.3 preserves observability where Llama 3.1 8B collapses at identical 32-layer, 32-head, 4096-hidden shape. Within Qwen 2.5, observability persists from 0.5B through 32B. A WikiText-trained observer transfers to downstream QA without task-specific training: at 20% flag rate, exclusive catch reaches 10.9-13.4% in seven of nine model-task cells, near the 12-15% language-modeling ceiling. Architecture selection is a monitoring decision.
Authors: Gabe Guo, Thanawat Sornwanee, Lutong Hao, Elon Litman, Stefano Ermon, Jose Blanchet
Abstract: Generating continuous-time, continuous-space stochastic processes (e.g., videos, weather forecasts) conditioned on partial observations (e.g., first and last frames) is a fundamental challenge. Existing approaches, (e.g., diffusion models), suffer from key limitations: (1) noise-to-data evolution fails to capture structural similarity between states close in physical time and has unstable integration in low-step regimes; (2) random noise injected is insensitive to the physical process's time elapsed, resulting in incorrect dynamics; (3) they overlook conditioning on arbitrary subsets of states (e.g., irregularly sampled timesteps, future observations). We propose ABC: Any-Subset Autoregressive Models via Non-Markovian Diffusion Bridges in Continuous Time and Space. Crucially, we model the process with one continual SDE whose time variable and intermediate states track the real time and process states. This has provable advantages: (1) the starting point for generating future states is the already-close previous state, rather than uninformative noise; (2) random noise injection scales with physical time elapsed, encouraging physically plausible dynamics with similar time-adjacent states. We derive SDE dynamics via changes-of-measure on path space, yielding another advantage: (3) path-dependent conditioning on arbitrary subsets of the state history and/or future. To learn these dynamics, we derive a path- and time-dependent extension of denoising score matching. Our experiments show ABC's superiority to competing methods on multiple domains, including video generation and weather forecasting.
Authors: Daniel Zhu, Zihan Wang, Xuchan Bao, Jerry Wei
Abstract: As language model safeguards become more robust, attackers are pushed toward developing increasingly complex jailbreaks. Prior work has found that this complexity imposes a "jailbreak tax" that degrades the target model's task performance. We show that this tax scales inversely with model capability and that the most advanced jailbreaks effectively yield no reduction in model capabilities. Evaluating 28 jailbreaks on five benchmarks across Claude models ranging in capability from Haiku 4.5 to Opus 4.6, we find Haiku 4.5 loses an average of 33.1% on benchmark performance when jailbroken, while Opus 4.6 at max thinking effort loses only 7.7%. We also observe that across all models, reasoning-heavy tasks display considerably more degradation than knowledge-recall tasks. Finally, Boundary Point Jailbreaking, currently the strongest jailbreak against deployed classifiers, achieves near-perfect classifier evasion with near-zero degradation across safeguarded models. We recommend that safety cases for frontier models should not rely on a meaningful capability degradation from jailbreaks.
Authors: Zhi-Quan Feng, Ying-Jia Lin, Hung-Yu Kao
Abstract: LoRA adapts large language models (LLMs) by restricting updates to low-rank subspaces of pre-trained weights. While this substantially reduces training cost, the effectiveness of adaptation critically depends on which subspace is chosen at initialization: a poor initialization that allocates capacity to task-irrelevant directions can severely hinder downstream performance. Existing initialization strategies primarily rely on the intrinsic properties of pre-trained weights, implicitly assuming that weight geometry alone reflects task relevance. However, such criteria overlook how the model interacts with the downstream data distribution. In this work, we formulate LoRA initialization as identifying the degree of impact of directions in parameter space under the target data distribution. We argue that data-aware sensitivity, rather than weight-only magnitude, should govern the choice of adaptation subspaces. Building on this perspective, we propose a Fisher-guided framework that leverages curvature information induced by downstream data to characterize how parameter perturbations influence model predictions. This perspective yields a principled, task-dependent criterion for selecting LoRA directions that better align adaptation with the target objective. Empirical results across diverse tasks and modalities demonstrate that data-aware initialization consistently and significantly improves downstream performance over existing approaches.
Authors: Youssef Abo-Dahab, Xiaoiang Xiang, Joanne Chun, Liang Zhao
Abstract: Virtual screening performance depends heavily on the chosen docking and scoring methods. Recent AI-based tools such as DiffDock and NMDN have reported strong benchmark results, but their practical utility on realistic, experimentally-derived datasets remains unclear. Here we perform a large-scale evaluation on the LIT-PCBA library (15 targets, 578,295 ligand-target pairs with experimentally confirmed actives and inactives). We compare AutoDock-GPU and DiffDock for pose generation, followed by rescoring with GNINA and NMDN. We further evaluate rank-based consensus strategies and supervised machine learning models trained on docking features. GNINA rescoring of AutoDock-GPU poses (AutoDock-GNINA) emerged as the strongest single method with a median EF1% of 2.14. DiffDock-based approaches underperformed relative to AutoDock-GNINA, particularly on challenging targets such as OPRK1. Carefully designed consensus ranking improved robustness but did not surpass the best single scorer. Supervised ML re-ranking delivered the largest gains, achieving a median EF1% of 4.49 (+110% over AutoDock-GNINA). Our results highlight that even the best classical+ML hybrid workflows provide only modest early enrichment on realistic benchmarks. We conclude that no single docking method dominates across targets and that rigorously validated, cost-effective combinations with supervised re-ranking currently offer the most practical value for virtual screening.
Authors: Fernando Martin-Maroto, Nabil Abderrahaman, Gonzalo G. de Polavieja
Abstract: Confidence calibration has been dominated by the Expected Calibration Error (ECE), a linear metric that counts calibration offset equally regardless of the confidence level at which it occurs. We show that ECE can remain small even under arbitrarily large overconfidence risk, so we propose Calibrated Size Ratio (CSR) instead, an interpretable metric that equals 1 under perfect calibration, from which we derive the risk probability $P_{\mathrm{risk}}$ that quantifies the statistical evidence for overconfidence. We further argue that overconfidence risk assessment must be complemented by a measure of discriminative value: whether the assigned confidences actively distinguish correct from incorrect predictions. We show that confidence-weighted accuracy $\mathrm{cwA}$ is the natural such complement, and that confidence-weighting extends to all standard classification metrics. In particular, we prove that the confidence-weighted AUC (cwAUC) captures the information about calibration while the classical AUC cannot. We validate the proposed indicators on several synthetic confidence distributions under multiple controlled calibration profiles and find that CSR separates risky from non-risky assignments. We also test the metrics on fifteen real datasets, with and without post-hoc calibration, and find that standard methods can yield risky confidence profiles.
Authors: Sarvagya Somvanshi, Mohan Xu, Rakhi Chadalavada, Nathan Canera
Abstract: Current models for predicting social media virality rely heavily on static textual and structural features, effectively ignoring the highly dynamic nature of trend signals. We study whether real-world attention signals can improve the prediction of social-media virality beyond what post text alone reveals. We introduce ViralityNet, an architecture that predicts Reddit post virality by fusing internal platform representations with exogenous temporal signals derived from Wikipedia pageview spikes. We frame virality as a binary classification task that accounts for differences in subreddit scale, labeling posts as viral if they exceed the 90th percentile of per-subreddit engagement and a minimum absolute score threshold. ViralityNet combines four post-level streams: title embeddings, body embeddings, structural metadata, and learned subreddit embeddings with a cross-attention block that queries a daily sliding-window trends matrix encoding the top-512 Wikipedia spike terms from the preceding seven days. Empirical results suggest that incorporating external attention signals yields consistent gains, outperforming text-only baselines by +0.015 AUC-PR and achieving an overall AUC-ROC of 0.836. Overall, we provide evidence that incorporating external attention signals yields measurable improvements over text-only baselines, highlighting the importance of real-world dynamics in shaping online virality.
Authors: Rufeng Chen, Zhaofan Zhang, Zhejiang Yang, Hechang Chen, Sihong Xie
Abstract: Offline safe reinforcement learning often requires policies to adapt at deployment time to safety budgets that vary across episodes or change within a single episode. While diffusion-based planners enable flexible trajectory generation, existing guidance schemes often treat reward improvement and constraint satisfaction as competing gradient objectives, which can lead to unreliable safety compliance under cost limits. We reinterpret adaptive safe trajectory generation as sampling from a constrained trajectory distribution, where the budget restricts the trajectory region, and reward shapes preferences within that region. This perspective motivates Safe Decoupled Guidance Diffusion (SDGD), which conditions classifier-free guidance on the cost limit to bias sampling toward trajectories satisfying the specified limit, while using reward-gradient guidance to refine trajectories for higher return. Because direct reward guidance can increase return while also steering samples toward trajectories with higher cumulative cost, we introduce Feasible Trajectory Relabeling (FTR) to reshape reward targets and discourage such directions. We further provide a first-order sampling-time analysis showing that FTR suppresses reward-induced cost drift under a prefix-restorative alignment condition. Extensive evaluations on the DSRL benchmark show that SDGD achieves the strongest safety compliance among baselines, satisfying the constraint on 94.7% of tasks (36/38), while obtaining the highest reward among safe methods on 21 tasks.
Authors: Shikhar Shukla
Abstract: Speculative decoding accelerates large language model (LLM) inference by using a small draft model to propose candidate tokens that a larger target model verifies. A critical hyperparameter in this process is the speculation length $\gamma$, which determines how many tokens the draft model proposes per step. Nearly all existing systems use a fixed $\gamma$ (typically 4), yet empirical evidence suggests that the optimal value varies across task types and, crucially, depends on the compression level applied to the target model. In this paper, we present SpecKV, a lightweight adaptive controller that selects $\gamma$ per speculation step using signals extracted from the draft model itself. We profile speculative decoding across 4 task categories, 4 speculation lengths, and 3 compression levels (FP16, INT8, NF4), collecting 5,112 step-level records with per-step acceptance rates, draft entropy, and draft confidence. We demonstrate that the optimal $\gamma$ shifts across compression regimes and that draft model confidence and entropy are strong predictors of acceptance rate (correlation $\approx$ 0.56). SpecKV uses a small MLP trained on these signals to maximize expected tokens per speculation step, achieving a 56.0% improvement over the fixed-$\gamma=4$ baseline with only 0.34 ms overhead per decision (<0.5% of step time). The improvement is statistically significant (p < 0.001, paired bootstrap test). We release all profiling data, trained models, and notebooks as open-source artifacts.
Authors: Peihao Li, Nadia Dahmani
Abstract: Large proof of work (PoW) networks allow anyone to earn rewards by running computation-intensive hash puzzles for profit, yet they typically consume electricity comparable to that of medium-sized countries. Repurposing computing resources from hash puzzles to machine learning training can benefit the energy sector as a whole, since this computing power is no longer wasted on solving hash puzzles but is instead used to train machine learning models that provide value across different application domains. However, major technical gaps currently prevent this integration. To bridge these gaps, we introduce proof of training (PoT), a protocol that directs mining power toward verifiable training of machine learning models while preserving PoW's incentives for participation and growth. We study PoT by theoretically identifying the blockchain structure that best meets the goals of training reliability, security, and scalability, and we further evaluate it by implementing a decentralized training network. Our results indicate considerable potential, including high task throughput, strong robustness, and improved network security.
Authors: Guangkun Nie, Jiabao Zhu, Gongzheng Tang, Deyun Zhang, Shijia Geng, Qinghao Zhao, Shenda Hong
Abstract: Background: Photoplethysmography (PPG) is a non-invasive optical sensing technique widely used to capture hemodynamic information, with broad deployment in both clinical monitoring systems and wearable devices. In recent years, the integration of deep learning has substantially advanced PPG signal analysis and expanded its applications across healthcare and non-healthcare domains. Methods: We conducted a comprehensive literature search for studies applying deep learning to PPG data published between January 1, 2017 and December 31, 2025, using Google Scholar, PubMed, and Dimensions. The included studies were analyzed from three key perspectives: tasks, models, and data. Results: A total of 460 papers applying deep learning techniques to PPG signal analysis were included. These studies span a wide range of application domains, from traditional physiological monitoring tasks such as cardiovascular assessment to emerging applications including sleep analysis, cross-modality signal reconstruction, and biometric identification. Conclusions: Deep learning has significantly advanced PPG signal analysis by enabling more effective extraction of physiological information. Compared with traditional machine learning approaches reliant on handcrafted features, deep learning methods generally achieve improved performance and offer greater flexibility in model development. Nevertheless, several challenges remain, including limited availability of large-scale high-quality datasets, insufficient validation in real-world environments, and concerns over model interpretability, scalability, and computational efficiency. Addressing these challenges and exploring emerging research directions will be essential for further progress in deep learning-based PPG analysis.
Authors: Guillaume Rochette, Mathieu Rochat, Nizar Michaud, Matthew J. Vowels
Abstract: psifx is a plug-and-play multi-modal feature extraction toolkit, aiming to facilitate and democratize the use of state-of-the-art machine learning techniques for human sciences research. It is motivated by a need (a) to automate and standardize data annotation processes that typically require expensive, lengthy, and inconsistent human labour; (b) to develop and distribute open-source community-driven psychology research software; and (c) to enable large-scale access and ease of use for non-expert users. The framework contains an array of tools for tasks such as speaker diarization, closed-caption transcription and translation from audio; body, hand, and facial pose estimation and gaze tracking with multi-person tracking from video; and interactive textual feature extraction supported by large language models. The package has been designed with a modular and task-oriented approach, enabling the community to add or update new tools easily. This combination creates new opportunities for in-depth study of real-time behavioral phenomena in psychological and social science research.
Authors: Peter Slattery, Alexander K. Saeri, Emily A. C. Grundy, Jess Graham, Michael Noetel, Risto Uuk, James Dao, Soroush Pour, Stephen Casper, Neil Thompson
Abstract: Artificial intelligence (AI) is reshaping society, from video generation to medical diagnosis, coding agents to autonomous vehicles. Yet researchers, policymakers, and technology companies lack shared terminology for discussing AI risks. Consider "privacy": one framework uses this term to describe a model's ability to leak sensitive training data, while another uses it to mean freedom from government surveillance. Conversely, researchers have introduced "Goodhart's law," "specification gaming," "reward hacking," and "mesa-optimization" to describe the same phenomenon of AI systems optimizing for measured proxies rather than intended goals. This terminological diversity creates friction: comparing findings across studies requires mapping between frameworks, and comprehensive risk coverage requires consulting multiple taxonomies that use different organizing principles. This paper addresses this challenge by creating a comprehensive catalog of AI risks. We systematically analyzed every major AI risk framework published to date-74 frameworks containing 1,725 distinct risks-and organized them into a unified system. Our two classification systems reveal important patterns: contrary to common assumptions, human decisions cause nearly as many AI risks (38%) as the AI systems themselves (42%). The work provides practical tools for anyone working on AI safety, from developers conducting risk assessments to policymakers writing regulations to auditors evaluating AI systems. By establishing a common reference point, this repository creates the foundation for more coordinated and comprehensive approaches to managing AI's risks while realizing its benefits.
Authors: Daghash K. Alqahtani, Muhammad Aamir Cheema, Maria A. Rodriguez, Adel N. Toosi
Abstract: Modern applications such as autonomous vehicles, intelligent surveillance, and smart city systems increasingly require object detection on resource-constrained edge devices. Yet, there is still limited understanding of how different object detection models behave across heterogeneous edge devices and under varying scene complexity. In this paper, we benchmark YOLOv8 (Nano, Small, Medium), EfficientDet Lite (Lite0, Lite1, Lite2), and SSD (SSD MobileNet V1, SSDLite MobileDet) on Raspberry Pi 3, 4, 5 with/without Coral TPU accelerators, Raspberry Pi 5 with AI HAT+, Jetson Nano, and Jetson Orin Nano. We evaluate energy consumption, inference time, and accuracy, and further examine how accuracy changes with the number of objects in the input image. The results reveal clear trade-offs among accuracy, latency, and energy efficiency across model-device combinations. SSD MobileNet V1 achieves the lowest latency and energy consumption but the lowest accuracy, whereas YOLOv8 Medium achieves the highest accuracy at higher computational cost. TPU-based Raspberry Pi devices improve the efficiency of SSD and EfficientDet Lite while reducing YOLOv8 accuracy. Orin Nano offers the most favorable overall balance across most model families. The object-count-based analysis further shows that models achieve more similar accuracy on simpler images, while the accuracy gap widens as scene complexity increases.
Authors: Henry Peng Zou, Siffi Singh, Yi Nian, Jianfeng He, Jason Cai, Saab Mansour, Hang Su
Abstract: Generalized Category Discovery (GCD) is a practical and challenging open-world task that aims to recognize both known and novel categories in unlabeled data using limited labeled data from known categories. Due to the lack of supervision, previous GCD methods face significant challenges, such as difficulty in rectifying errors for confusing instances, and inability to effectively uncover and leverage the semantic meanings of discovered clusters. Therefore, additional annotations are usually required for real-world applicability. However, human annotation is extremely costly and inefficient. To address these issues, we propose GLEAN, a unified framework for generalized category discovery that actively learns from diverse and collaborative LLM feedback. Our approach leverages three different types of LLM feedback to: (1) improve instance-level contrastive features, (2) generate category descriptions, and (3) align uncertain instances with LLM-selected category descriptions. Extensive experiments demonstrate the superior performance of GLEAN over state-of-the-art models across diverse datasets, metrics, and supervision settings. Our code is available at https://github.com/amazon-science/Glean.
Authors: Haiqin Cui, Yifu Yuan, Yan Zheng, Jianye Hao
Abstract: Scaling Vision-Language-Action models for embodied manipulation demands large volumes of diverse manipulation data, yet the high cost of commercial mobile manipulators and teleoperation interfaces that are difficult to deploy at scale remain key bottlenecks. We present AhaRobot, a low-cost, fully open-source bimanual mobile manipulator tailored for Embodied-AI. The system contributes: (1) a SCARA-like dual-arm hardware design that reduces motor torque demands while maintaining a large vertical reachable workspace, (2) an optimized control stack that improves precision via dual-motor backlash mitigation and static-friction compensation through dithering, and (3) RoboPilot, a teleoperation interface featuring a novel 26-faced marker handle for precise, long-horizon remote data collection. Experimental results show that our hardware-control co-design achieves 0.7 mm repeatability at a total hardware cost of only $1,000. The proposed 26-faced handle reduces tracking error by 80% over a 6-faced baseline and improves data-collection efficiency by 30%, while robustly handling singularities and supporting extremely long-horizon tasks in fully remote settings. Despite its low cost, AhaRobot enables imitation learning of complex household behaviors involving bimanual coordination, upper-body mobility, and contact-rich interaction, with data quality comparable to VR-based collection. All software, CAD files, and documentation are available at https://aha-robot.github.io.
Authors: Abtin Pourhadi, Paul Swoboda
Abstract: We introduce the Normalized Matching Transformer (NMT), a deep learning approach for efficient and accurate sparse semantic keypoint matching between image pairs. NMT consists of a strong visual backbone, geometric feature refinement via SplineCNN, followed by a normalized Transformer for computing matching features. Central to NMT is our hyperspherical normalization strategy: we enforce unit-norm embeddings at every Transformer layer and train with a combined contrastive InfoNCE and hyperspherical uniformity loss to yield more discriminative keypoint representations. This novel architecture/loss combination encourages close alignment of matching image features and large distances between non-matching ones not only at the output level, but for each layer. Despite its architectural simplicity, NMT sets a new state-of-the-art performance on PascalVOC and SPair-71k, outperforming BBGM, ASAR, COMMON and GMTR by 5.1% and 2.2%, respectively, while converging in at least 1.7x fewer epochs compared to other state-of-the-art baselines. These results underscore the power of combining pervasive normalization with hyperspherical learning for matching tasks.
Authors: Luigi Sigillo, Christian Bianchi, Aurelio Uncini, Danilo Comminiello
Abstract: Image Super-Resolution is a fundamental problem in computer vision with broad applications spacing from medical imaging to satellite analysis. The ability to reconstruct high-resolution images from low-resolution inputs is crucial for enhancing downstream tasks such as object detection and segmentation. While deep learning has significantly advanced SR, achieving high-quality reconstructions with fine-grained details and realistic textures remains challenging, particularly at high upscaling factors. Recent approaches leveraging diffusion models have demonstrated promising results, yet they often struggle to balance perceptual quality with structural fidelity. In this work, we introduce ResQu a novel SR framework that integrates a quaternion wavelet preprocessing framework with latent diffusion models, incorporating a new quaternion wavelet- and time-aware encoder. Unlike prior methods that simply apply wavelet transforms within diffusion models, our approach enhances the conditioning process by exploiting quaternion wavelet embeddings, which are dynamically integrated at different stages of denoising. Furthermore, we also leverage the generative priors of foundation models such as Stable Diffusion. Extensive experiments on domain-specific datasets demonstrate that our method achieves outstanding SR results, outperforming in many cases existing approaches in perceptual quality and standard evaluation metrics. The code is available at https://www.github.com/Fascetta/ResQu
Authors: Simo Alami C., Rim Kaddah, Jesse Read, Marie-Paule Cani
Abstract: Distributional Reinforcement Learning (DistRL) improves upon expectation-based methods by modeling full return distributions, but standard approaches often remain far from parsimonious. Categorical methods (e.g., C51) rely on fixed supports where parameter counts scale linearly with resolution, while quantile methods approximate distributions as discrete mixtures whose piecewise-constant densities can be wasteful when modeling complex multi-modal or heavy-tailed returns. We introduce NFDRL, a parsimonious architecture that models return distributions using continuous normalizing flows. Unlike categorical baselines, our flow-based model maintains a compact parameter footprint that does not grow with the effective resolution of the distribution, while providing a dynamic, adaptive support for returns. To train this continuous representation, we propose a Cram\'er-inspired, geometry-aware distance defined over probability masses obtained from the flow. We show that this distance is a true probability metric, that the associated distributional Bellman operator is a sqrt(gamma)-contraction, and that the resulting objective admits unbiased sample gradients, properties that are typically not simultaneously guaranteed in prior PDF-based DistRL methods. Empirically, NFDRL recovers rich, multi-modal return landscapes on toy MDPs and achieves performance competitive with categorical baselines on the Atari-5 benchmark, while offering substantially better parameter efficiency.
Authors: Anton Erofeev, Balasubramanya T. Nadiga, Ilya Timofeyev
Abstract: We apply Echo-State Networks to predict time series and statistical properties of the competitive Lotka-Volterra model in the chaotic regime. In particular, we demonstrate that Echo-State Networks successfully learn the chaotic attractor of the competitive Lotka-Volterra model and reproduce histograms of dependent variables, including tails and rare events. We also demonstrate that the Echo-State Networks reproduce rare events in the non-equilibrium simulations of the Lotka-Volterra system. We use the Generalized Extreme Value distribution to quantify the tail behavior.
Authors: Arnaud Vadeboncoeur, Mark Girolami, Andrew M. Stuart
Abstract: This work is focussed on the inversion task of inferring the distribution over parameters of interest leading to multiple sets of observations. The potential to solve such distributional inversion problems is driven by increasing availability of data, but a major roadblock is blind deconvolution, arising when the observational noise distribution is unknown. However, when data originates from collections of physical systems, a population, it is possible to leverage this information to perform deconvolution. To this end, we propose a methodology leveraging large data sets of observations, collected from different instantiations of the same physical processes, to simultaneously deconvolve the data corrupting noise distribution, and to identify the distribution over model parameters defining the physical processes. A parameter-dependent mathematical model of the physical process is employed. A loss function characterizing the match between the observed data and the output of the mathematical model is defined; it is minimized as a function of the both the parameter inputs to the model of the physics and the parameterized observational noise. This coupled problem is addressed with a modified gradient descent algorithm that leverages specific structure in the noise model. Furthermore, a new active learning scheme is proposed, based on adaptive empirical measures, to train a surrogate model to be accurate in parameter regions of interest; this approach accelerates computation and enables automatic differentiation of black-box, potentially nondifferentiable, code computing parameter-to-solution maps. The proposed methodology is demonstrated on porous medium flow, damped elastodynamics, and simplified models of atmospheric dynamics.
Authors: Kristian Sotirov, Annie E. Paine, Savvas Varsamopoulos, Antonio A. Gentile, Osvaldo Simeone
Abstract: Offline model-based optimization (MBO) refers to the task of optimizing a black-box objective function using only a fixed set of prior input-output data, without any active experimentation. Recent work has introduced quantum extremal learning (QEL), which leverages the expressive power of variational quantum circuits to learn accurate surrogate functions by training on a few data points. However, as widely studied in the classical machine learning literature, predictive models may incorrectly extrapolate objective values in unexplored regions, leading to the selection of overly optimistic solutions. In this paper, we propose integrating QEL with conservative objective models (COM) - a regularization technique aimed at ensuring cautious predictions on out-of-distribution inputs. The resulting hybrid algorithm, COM-QEL, builds on the expressive power of quantum neural networks while safeguarding generalization via conservative modeling. Empirical results on benchmark optimization tasks demonstrate that COM-QEL reliably finds solutions with higher true objective values compared to the original QEL, validating its superiority for offline design problems.
Authors: Luigi Sigillo, Renato Giamba, Danilo Comminiello
Abstract: The acquisition of high-resolution satellite imagery is often constrained by the spatial and temporal limitations of satellite sensors, as well as the high costs associated with frequent observations. These challenges hinder applications such as environmental monitoring, disaster response, and agricultural management, which require fine-grained and high-resolution data. In this paper, we propose MWT-Diff, an innovative framework for satellite image super-resolution (SR) that combines latent diffusion models with wavelet transforms to address these challenges. At the core of the framework is a novel metadata-, wavelet-, and time-aware encoder (MWT-Encoder), which generates embeddings that capture metadata attributes, multi-scale frequency information, and temporal relationships. The embedded feature representations steer the hierarchical diffusion dynamics, through which the model progressively reconstructs high-resolution satellite imagery from low-resolution inputs. This process preserves critical spatial characteristics including textural patterns, boundary discontinuities, and high-frequency spectral components essential for detailed remote sensing analysis. The comparative analysis of MWT-Diff across multiple datasets demonstrated favorable performance compared to recent approaches, as measured by standard perceptual quality metrics including FID and LPIPS. The code is available at https://github.com/LuigiSigillo/MWT-Diff
Authors: Francesca Romana Crucinio
Abstract: We consider the problem of sampling from a probability distribution $\pi$ which admits a density w.r.t. a dominating measure. It is well known that this can be written as an optimisation problem over the space of probability distributions in which we aim to minimise a divergence from $\pi$. The optimisation problem is normally solved through gradient flows in the space of probability distributions with an appropriate metric. We show that the Kullback--Leibler divergence is the only divergence in the family of Bregman divergences whose gradient flow w.r.t. many popular metrics does not require knowledge of the normalising constant of $\pi$.
Authors: Lishui Fan, Yu Zhang, Mouxiang Chen, Zhongxin Liu
Abstract: In practice, rigorous reasoning is often a key driver of correct code, while Reinforcement Learning (RL) for code generation often neglects optimizing reasoning quality. Bringing process-level supervision into RL is appealing, but it faces two challenges. First, training reliable reward models to assess reasoning quality is bottlenecked by the scarcity of fine-grained preference data. Second, naively incorporating such neural rewards may suffer from reward hacking. This work proposes ReCode (Reasoning-Reinforced Code Generation), a novel RL training framework comprising: (1) Contrastive Reasoning-Process Reward Learning (CRPL), which trains a reward model with synthesized optimized and degraded reasoning variants to assess the quality of reasoning process; and (2) Consistency-Gated GRPO (CG-GRPO), which integrates the reasoning-process reward model into RL by gating neural reasoning-process rewards with strict execution outcomes, using execution correctness as a hard gate to mitigate reward hacking. Additionally, to assess the reward model's discriminative capability in assessing reasoning-process quality, we introduce LiveCodeBench-RewardBench (LCB-RB), a new benchmark comprising preference pairs of superior and inferior reasoning processes tailored for code generation. Experimental results across HumanEval(+), MBPP(+), LiveCodeBench, and BigCodeBench show that a 7B model trained with ReCode outperforms the base version by 16.1% and reaches performance comparable to GPT-4-Turbo. We further demonstrate the generalizability of ReCode by extending it to the math domain.
Authors: Kai Yao, Marc Juarez
Abstract: Detecting the source model of AI-generated images is a growing accountability problem. AI fingerprinting techniques address this by detecting imperceptible patterns in the images that are unique to each model, achieving high detection accuracy under ideal conditions. However, recent research has shown that image fingerprints are extremely brittle to adaptive attacks, where knowledge of the technique can be exploited to perturb the fingerprints and evade detection. We present SPRINT (Secret Pixel Reconstruction fingerprinting), a novel model attribution method specifically designed to provide robustness to adaptive attacks. As opposed to existing fingerprinting, which focuses on publicly discoverable patterns in the image, SPRINT relies on a secret to define hidden reconstruction targets, thus keeping the verification task itself private. As a result, the attacker can no longer see the task that the verifier solves at verification time, protecting the information exploited by the attacks. Our results show that SPRINT achieves high closed-world accuracy while remaining robust to adaptive attacks: on the FFHQ dataset, SPRINT reaches 99.17% clean accuracy on a diverse 12-model pool and 98.83% on a harder pool of 6 close checkpoints of the same model architecture, while reducing adaptive removal and forgery attack success rates to 1% or below. When the same pool of close model checkpoints is considered an open world, SPRINT maintains high accuracy with an AUROC of 99.30%. These findings show that the approach of privatizing the verification task can make adaptive evasion substantially harder while maintaining performance in the clean setting.
Authors: Jan Kapar, Kathrin G\"unther, Lori Ann Vallis, Klaus Berger, Nadine Binder, Hermann Brenner, Stefanie Castell, Beate Fischer, Volker Harth, Bernd Holleczek, Timm Intemann, Till Ittermann, Andr\'e Karch, Thomas Keil, Lilian Krist, Berit Lange, Michael F. Leitzmann, Katharina Nimptsch, Nadia Obi, Iris Pigeot, Tobias Pischon, Tamara Schikowski, B\"orge Schmidt, Carsten Oliver Schmidt, Anja M. Sedlmair, Justine Tanoey, Harm Wienbergen, Andreas Wienke, Claudia Wigmann, Marvin N. Wright
Abstract: Synthetic data holds substantial potential to address practical challenges in epidemiology due to restricted data access and privacy concerns. However, many current methods suffer from limited quality, high computational demands, and complexity for non-experts. Furthermore, common evaluation strategies for synthetic data often fail to directly reflect statistical utility and measure privacy risks sufficiently. Against this background, a critical underexplored question is whether synthetic data can reliably reproduce key findings from epidemiological research while preserving privacy. We propose adversarial random forests (ARF) as an efficient and convenient method for synthesizing tabular epidemiological data. To evaluate its performance, we replicated statistical analyses from six epidemiological publications covering blood pressure, anthropometry, myocardial infarction, accelerometry, loneliness, and diabetes, from the German National Cohort (NAKO Gesundheitsstudie), the Bremen STEMI Registry U45 Study, and the Guelph Family Health Study. We further assessed how dataset dimensionality and variable complexity affect the quality of synthetic data, and contextualized ARF's performance by comparison with commonly used tabular data synthesizers in terms of utility, privacy, generalisation, and runtime. Across all replicated studies, results on ARF-generated synthetic data consistently aligned with original findings. Even for datasets with relatively low sample size-to-dimensionality ratios, replication outcomes closely matched the original results across descriptive and inferential analyses. Reduced dimensionality and variable complexity further enhanced synthesis quality. ARF demonstrated favourable performance regarding utility, privacy preservation, and generalisation relative to other synthesizers and superior computational efficiency.
Authors: Murilo Vinicius da Silva, Matheus Hipolito Carvalho, Juliano Negri, Thiago Segreto, Gustavo J. G. Lahr, Ricardo V. Godoy, Marcelo Becker
Abstract: In hazardous and remote environments, robotic systems perform critical tasks demanding improved safety and efficiency. Among these, quadruped robots with manipulator arms offer mobility and versatility for complex operations. However, teleoperating quadruped robots is challenging due to the lack of integrated obstacle detection and intuitive control methods for the robotic arm, increasing collision risks in confined or dynamically changing workspaces. Teleoperation via joysticks or pads can be non-intuitive and demands a high level of expertise due to its complexity, culminating in a high cognitive load on the operator. To address this challenge, a teleoperation approach that directly maps human arm movements to the robotic manipulator offers a simpler and more accessible solution. This work proposes an intuitive remote control by leveraging a vision-based pose estimation pipeline that utilizes an external camera with a machine learning-based model to detect the operator's wrist position. The system maps these wrist movements into robotic arm commands to control the robot's arm in real-time. A trajectory planner ensures safe teleoperation by detecting and preventing collisions with both obstacles and the robotic arm itself. The system was validated on the real robot, demonstrating robust performance in real-time control. This teleoperation approach provides a cost-effective solution for industrial applications where safety, precision, and ease of use are paramount, ensuring reliable and intuitive robotic control in high-risk environments.
Authors: Dilermando Almeida, Guilherme Lazzarini, Juliano Negri, Thiago H. Segreto, Ricardo V. Godoy, Marcelo Becker
Abstract: This paper presents a deep learning framework designed to enhance the grasping capabilities of quadrupeds equipped with arms, with a focus on improving precision and adaptability. Our approach centers on a sim-to-real methodology that minimizes reliance on physical data collection. We developed a pipeline within the Genesis simulation environment to generate a synthetic dataset of grasp attempts on common objects. By simulating thousands of interactions from various perspectives, we created pixel-wise annotated grasp-quality maps to serve as the ground truth for our model. This dataset was used to train a custom CNN with a U-Net-like architecture that processes multi-modal input from an onboard RGB and depth cameras, including RGB images, depth maps, segmentation masks, and surface normal maps. The trained model outputs a grasp-quality heatmap to identify the optimal grasp point. We validated the complete framework on a four-legged robot. The system successfully executed a full loco-manipulation task: autonomously navigating to a target object, perceiving it with its sensors, predicting the optimal grasp pose using our model, and performing a precise grasp. This work proves that leveraging simulated training with advanced sensing offers a scalable and effective solution for object handling.
Authors: Kaiang Wen, Mark Roman Miller
Abstract: As virtual reality (VR) becomes widespread, head and hand motion data captured by consumer systems has become substantially more common. However, the extent of what can be inferred from such motion remains unclear. This paper investigates whether transient cognitive states, specifically confusion, hesitation, and readiness during different stages of decision-making, can be inferred from VR telemetry alone. We introduce a novel dataset of head and hand motion collected during structured decision-making tasks, with frame-level annotations of these states. We evaluate classical machine learning models, temporal neural networks, and motion foundation models under two protocols: (1) future-in-time prediction for the same users, and (2) cross-user generalization to unseen users. We further propose a VR-native motion adapter that maps sparse VR telemetry to representations compatible with motion foundation models pretrained on large-scale full-body motion data, enabling transfer without explicit full-body reconstruction. To our knowledge, this is the first work to adapt a motion foundation model to VR motion for a classification task. Results show that motion-only sensing captures meaningful signals of cognitive states, and that pretrained motion foundation models generalize more effectively than classical and temporal models even with a small dataset of 24 participants. Our approach achieves 82% accuracy, comparable to and sometimes surpassing human observers. These findings suggest that VR motion encodes richer behavioral information than previously assumed and highlight the potential of large-scale motion pretraining for XR applications. We will release the dataset and modeling framework to support future research.
Authors: Manuel Vargas Guzm\'an, Jakub Szymanik, Maciej Malicki
Abstract: Despite the remarkable progress in neural models, their ability to generalize, a cornerstone for applications such as logical reasoning, remains a critical challenge. We delineate two fundamental aspects of this ability: compositionality, the capacity to abstract atomic logical rules underlying complex inferences, and recursiveness, the aptitude to build intricate representations through iterative application of inference rules. In the literature, these two aspects are often conflated under the umbrella term of generalization. To sharpen this distinction, we investigate the logical generalization capabilities of LLMs using the syllogistic fragment as a benchmark for natural language reasoning. We extend classical syllogistic forms to construct more complex structures, yielding a foundational yet expressive subset of formal logic that supports controlled evaluation of essential reasoning abilities. Our findings on this non-trivial benchmark show that, while LLMs demonstrate reasonable proficiency in recursiveness, they struggle with compositionality. This disparity is not uniform, as a more detailed analysis reveals substantial variability in generalization performance across individual syllogistic types, ranging from near-perfect accuracy to significantly lower performance. To overcome these limitations and establish a reliable logical prover, we propose a hybrid architecture integrating symbolic reasoning with neural computation. This synergistic interaction enables robust and efficient inference, neural components accelerate processing, while symbolic reasoning guarantees completeness. Our experiments further show that high efficiency is preserved even when using relatively small neural components. Overall, our analysis provides both a rationale for hybrid neuro-symbolic approaches and evidence of their potential to address key generalization barriers in neural reasoning systems.
Authors: Jackson Hassell, Dan Zhang, Hannah Kim, Tom Mitchell, Estevam Hruschka
Abstract: We investigate how agents built on pretrained large language models (LLMs) can learn target classification functions from labeled examples without parameter updates. While conventional approaches like fine-tuning are often costly, inflexible, and opaque, we propose a memory-augmented framework that leverages LLM-generated critiques grounded in labeled data. Our framework uses episodic memory to store instance-level critiques - capturing specific past experiences - and semantic memory to distill these into reusable, task-level guidance. Across a diverse set of tasks and models, our best performing self-critique strategy (utilizing both memory types) yields an average improvement of 8.1 percentage points over the zero shot baseline, and 4.6pp over a RAG-based baseline that relies only on labels. However, improvements vary substantially across models and domains. To explain this variation, we introduce suggestibility - a novel metric capturing how receptive a model is to external reasoning provided in context. We use suggestibility to illuminate when and why memory augmentation succeeds or falls short. Beyond accuracy gains, we find pre-computed critiques substantially reduce inference-time computation for reasoning models, cutting thinking tokens by an average of 31.95% across all datasets by substituting for reasoning that the model would otherwise perform independently. Our findings highlight the conditions under which memory-driven, reflective learning can serve as a lightweight, interpretable, and efficient strategy for improving LLM adaptability.
Authors: Dongyi Liu, Jiangtong Li
Abstract: Graph Neural Networks(GNNs) are vulnerable to backdoor attacks, where adversaries implant malicious triggers to manipulate model predictions. Existing trigger generators are often simplistic in structure and overly reliant on specific features, confining them to a single graph learning paradigm, such as graph supervised learning, graph contrastive learning, or graph prompt learning. Such paradigm-specific designs lead to poor transferability across different learning frameworks, limiting attack success rates in general testing scenarios. To bridge this gap, we propose Cross-Paradigm Graph Backdoor Attacks with Promptable Subgraph Triggers(CP-GBA), which employs Graph Prompt Learning(GPL) to synthesize transferable subgraph triggers. Specifically, we first distill a compact yet expressive trigger set into a queryable repository, jointly optimizing for class-awareness, feature richness, and structural fidelity. Furthermore, we pioneer the theoretical exploration of GPL transferability under prompt-based objectives, ensuring robust generalization to diverse and unseen test-time paradigms. Extensive experiments across multiple real-world datasets and defense scenarios show that CP-GBA achieves state-of-the-art attack success rates.
Authors: Jacob Carlson
Abstract: Social scientists are increasingly turning to unstructured datasets to unlock new empirical insights, e.g., estimating descriptive statistics of or causal effects on quantitative measures derived from text, audio, or video data. In many such settings, unsupervised analysis is of primary interest, in that the researcher does not want to (or cannot) manually pre-specify all important aspects of the unstructured data to measure; they are interested in "discovery." This paper proposes a general and flexible framework for pursuing such discovery from unstructured data in a statistically principled way. The framework leverages recent methods from the literature on AI interpretability to map unstructured data points to high-dimensional, sparse, and interpretable "concept embeddings"; computes statistics from these concept embeddings for testing interpretable, concept-by-concept hypotheses; performs selective inference on these hypotheses using algorithms validated by new results in high-dimensional central limit theory, producing a selected set ("discoveries"); and both generates and evaluates human-interpretable natural language descriptions of these discoveries. The proposed framework has few researcher degrees of freedom, is robust to data snooping and other post-selection inference concerns, and facilitates fast and inexpensive sensitivity analysis and replication. Applications to recent descriptive and causal analyses of unstructured data in empirical economics are explored. Open source code is provided for researchers to implement the framework in their own projects.
Authors: Yuxin Bai, Aranyak Acharyya, Ashwin De Silva, Zeyu Shen, James Hassett, Joshua T. Vogelstein
Abstract: Optimal control of the future is the next frontier for AI. Current approaches to this problem are typically rooted in reinforcement learning (RL). RL is mathematically distinct from supervised learning, which has been the main workhorse for the recent achievements in AI. Moreover, RL typically operates in a stationary environment with episodic resets, limiting its utility. Here, we extend supervised learning to address learning to control in non-stationary, reset-free environments. Using this framework, called ''Prospective Learning with Control'' (PLuC), we prove that under certain fairly general assumptions, empirical risk minimization (ERM) asymptotically achieves the Bayes optimal policy. We then consider a specific instance of prospective learning with control: foraging, a canonical task relevant to both natural and artificial agents. We illustrate that modern RL algorithms, which assume stationarity, struggle in these non-stationary reset-free environments. Even with time-aware modifications, they converge orders of magnitude slower than our prospective foraging agents on a simple 1-D foraging benchmark. Code is available at: https://github.com/neurodata/procontrol.
Authors: Jun-Qi Chen, Kun Zhang, Rui Zheng, Ying Zhong
Abstract: Queueing simulation studies often require substantial manual effort to translate conceptual system descriptions into executable programs and to verify that the implemented mechanisms match the intended queueing logic. Although large language models (LLMs) may produce executable scripts, executability alone is insufficient when arrival, routing, interruption, or reporting logic is wrong. This study presents a simulation-oriented support framework for \texttt{SimPy}-based queueing model translation. We propose a category-template framework for mechanism coverage with a staged adaptation workflow that targets structured event logic and common simulation-specific failure modes. On held-out task instances, the adapted models improve executability, output-format compliance, and instruction-mechanism consistency across basic, behavioral, and networked queueing settings, so the generated scripts are more reliable as queueing simulation scripts. Error analysis shows better preservation of routing semantics and interruption-resume logic, while also exposing remaining weaknesses in multi-node transfer and residual-service updates. Overall, the results suggest that the proposed framework can act as a simulation-faithful generator for more standardized and reproducible queueing model construction.
Authors: Mohammad Shamim Ahsan, Peng Liu
Abstract: In the network security domain, due to practical issues -- including imbalanced data and heterogeneous legitimate network traffic -- adversarial attacks in machine learning-based NIDSs have been viewed as attack packets misclassified as benign. Due to this prevailing belief, the possibility of (maliciously) perturbed benign packets being misclassified as attack has been largely ignored. In this paper, we demonstrate that this is not only theoretically possible, but also a particular threat to NIDS. In particular, we uncover a practical cyberattack, FPR manipulation attack (FPA), especially targeting industrial IoT networks, where domain-specific knowledge of the widely used MQTT protocol is exploited and a systematic simple packet-level perturbation is performed to alter the labels of benign traffic samples without employing traditional gradient-based or non-gradient-based methods. The experimental evaluations demonstrate that this novel attack results in a success rate of 80.19% to 100%. In addition, while estimating impacts in the Security Operations Center, we observe that even a small fraction of false positive alerts, irrespective of different budget constraints and alert traffic intensities, can increase the delay of genuine alerts investigations up to 2 hr in a single day under normal operating conditions. Furthermore, a series of relevant statistical and XAI analyses is conducted to understand the key factors behind this remarkable success. Finally, we explore the effectiveness of the FPA packets to enhance models' robustness through adversarial training and investigate the changes in decision boundaries accordingly.
Authors: Xinglin Wang, Jiayi Shi, Shaoxiong Feng, Peiwen Yuan, Yiwei Li, Yueqi Zhang, Chuyi Tan, Ji Zhang, Boyuan Pan, Yao Hu, Kan Li
Abstract: Test-Time Scaling enhances the reasoning capabilities of Large Language Models by allocating additional inference compute to broaden the exploration of the solution space. However, existing search strategies typically treat rollouts as disposable samples, where valuable intermediate insights are effectively discarded after each trial. This wasted rollout-level experience leads to substantial computational redundancy, as models repeatedly re-derive discovered conclusions and revisit known dead ends across extensive attempts. To bridge this gap, we propose \textbf{Recycling Search Experience (RSE)}, a self-guided, training-free strategy that turns test-time search from a series of isolated trials into a cumulative, experience-guided process. By actively distilling raw trajectories into a shared experience bank, RSE enables positive recycling of intermediate conclusions to shortcut redundant derivations and negative recycling of failure patterns to prune encountered dead ends. Theoretically, we provide an analysis that formalizes the efficiency gains of RSE over independent sampling in solving complex reasoning tasks. Empirically, extensive experiments on HMMT24, HMMT25, IMO-Bench, and HLE show that RSE consistently outperforms strong baselines under comparable computational budgets, establishing a strong compute-efficiency frontier for test-time scaling.
Authors: Md Amran Hossan Mojamder, Zhihang Xu, Min Wang, Ilya Timofeyev
Abstract: We present a method for parametrizing sub-grid processes in the Shallow Water equations. We define coarse variables and local spatial averages and use a feed-forward neural network to learn sub-grid fluxes. Our method results in a local parametrization that uses a four-point computational stencil, which has several advantages over globally coupled parametrizations. We demonstrate numerically that our method improves energy balance in long-term turbulent simulations and also accurately reproduces individual solutions. The long-term simulations refer to numerical studies where a fluid flow is simulated over a duration long enough to reach a statistical steady state. The neural network parametrization can be easily combined with flux limiting to reduce oscillations near shocks. More importantly, our method provides reliable parametrizations, even in dynamical regimes that are not included in the training data.
Authors: Mingxun Wang, Alejandro Schuler, Mark van der Laan, Carlos Garc\'ia Meixide
Abstract: The Highly Adaptive Lasso (HAL) is a nonparametric regression method that achieves almost dimension-free convergence rates under minimal smoothness assumptions, but its implementation can be computationally prohibitive in high dimensions due to the large design matrix it requires. The Highly Adaptive Ridge (HAR) has been proposed as a related ridge-regularized analogue. Building on both procedures, we introduce the Principal Component Highly Adaptive Lasso (PCHAL) and Principal Component Highly Adaptive Ridge (PCHAR). These estimators use an outcome-blind principal-component reduction of the HAL basis, offering substantial computational gains over HAL while achieving empirical performance comparable to HAL and HAR. We also describe an early-stopped gradient descent variant, which provides a convenient form of smooth spectral regularization without explicitly selecting a hard principal-component cutoff. Finally, we uncover that under special circumstances, the HAL kernel is identical to the covariance function of Brownian motion.
Authors: Jackie Baek, Yaopeng Fu, Will Ma, Tianyi Peng
Abstract: Inventory control is a fundamental operations problem in which ordering decisions are traditionally guided by theoretically grounded operations research (OR) algorithms. However, such algorithms often rely on rigid modeling assumptions and can perform poorly when demand distributions shift or relevant contextual information is unavailable. Recent advances in large language models (LLMs) have generated interest in AI agents that can reason flexibly and incorporate rich contextual signals, but it remains unclear how best to incorporate LLM-based methods into traditional decision-making pipelines. We study how OR algorithms, LLMs, and humans can interact and complement each other in a multi-period inventory control setting. We construct InventoryBench, a benchmark of over 1,000 inventory instances spanning both synthetic and real-world demand data, designed to stress-test decision rules under demand shifts, seasonality, and uncertain lead times. Through this benchmark, we find that OR-augmented LLM methods outperform either method in isolation, suggesting that these methods are complementary rather than substitutes. We further investigate the role of humans through a controlled classroom experiment that embeds LLM recommendations into a human-in-the-loop decision pipeline. Contrary to prior findings that human-AI collaboration can degrade performance, we show that, on average, human-AI teams achieve higher profits than either humans or AI agents operating alone. Beyond this population-level finding, we formalize an individual-level complementarity effect and derive a distribution-free lower bound on the fraction of individuals who benefit from AI collaboration; empirically, we find this fraction to be substantial.
Authors: Ryan Wong, Ben Feinberg, Saugata Ghose
Abstract: Analog processing-using-memory (PUM; a.k.a. in-memory computing) makes use of electrical interactions inside memory arrays to perform bulk matrix-vector multiplication (MVM) operations. However, many popular matrix-based kernels need to execute non-MVM operations, which analog PUM cannot directly perform. To retain its energy efficiency, analog PUM architectures augment memory arrays with CMOS-based domain-specific fixed-function hardware to provide complete kernel functionality, but the difficulty of integrating such specialized CMOS logic with memory arrays has largely limited analog PUM to being an accelerator for machine learning inference, or for closely related kernels. An opportunity exists to harness analog PUM for general-purpose computation: recent works have shown that memory arrays can also perform Boolean PUM operations, albeit with very different supporting hardware and electrical signals than analog PUM. We propose DARTH-PUM, a general-purpose hybrid PUM architecture that tackles key hardware and software challenges to integrating analog PUM and digital PUM. We propose optimized peripheral circuitry, coordinating hardware to manage and interface between both types of PUM, an easy-to-use programming interface, and low-cost support for flexible data widths. These design elements allow us to build a practical PUM architecture that can execute kernels fully in memory, and can scale easily to cater to domains ranging from embedded applications to large-scale data-driven computing. We show how three popular applications (AES encryption, convolutional neural networks, large language models) can map to and benefit from DARTH-PUM, with speedups of 59.4x, 14.8x, and 40.8x over an analog+CPU baseline.
Authors: Shan Yang, Yang Liu
Abstract: Scaling cooperative multi-agent reinforcement learning (MARL) is fundamentally limited by cross-agent noise. When agents share a common reward, each agent's learning signal is computed from a shared return that depends on all agents, so the stochasticity of the other agents enters the signal as cross-agent noise that grows with $N$. Fortunately, many engineering systems, such as cloud computing and power systems, have differentiable analytical models that prescribe efficient system states, providing a new reference beyond noisy shared returns. In this work, we propose Descent-Guided Policy Gradient (DG-PG), a framework that augments policy-gradient updates with a noise-free descent signal derived from differentiable analytical models. We prove that DG-PG reduces policy-gradient estimator variance from $\mathcal{O}(N)$ to $\mathcal{O}(1)$, preserves the equilibria of the cooperative game, and achieves agent-independent sample complexity $\widetilde{\mathcal{O}} (1/\epsilon)$. On a heterogeneous cloud resource scheduling task with up to 1500 agents, DG-PG converges within 20 episodes on average, while MAPPO and IPPO fail to converge under identical architectures.
Authors: Hongbo Jin, Rongpeng Zhu, Jiayu Ding, Guibo Luo, Ge Li
Abstract: Large language model (LLM) agents have recently demonstrated strong capabilities in interactive decision-making, yet they remain fundamentally limited in long-horizon tasks that require structured planning and reliable execution. Existing approaches predominantly rely on flat autoregressive policies, where high-level reasoning and low-level actions are generated within a single token sequence, leading to inefficient exploration and severe error propagation over extended trajectories. In this work, we propose HiMAC, a hierarchical agentic RL framework that explicitly decomposes long-horizon decision-making into macro-level planning and micro-level execution. HiMAC models reasoning as a structured blueprint generation process followed by goal-conditioned action execution, enabling robust long-horizon planning within LLM-based agents. To train this hierarchy efficiently, we introduce a critic-free hierarchical policy optimization paradigm that extends group-based reinforcement learning to bi-level structures through hierarchical relative advantage estimation. Furthermore, we propose an iterative co-evolution training strategy that alternates between planner exploration and executor adaptation, mitigating the non-stationarity inherent in hierarchical learning. Extensive experiments on ALFWorld, WebShop, and Sokoban demonstrate that HiMAC consistently outperforms strong prompting and reinforcement learning baselines, achieving state-of-the-art performance and substantially improved sample efficiency across both text-based and visually grounded environments. Our results show that introducing structured hierarchy, rather than increasing model scale alone, is a key factor for enabling robust long-horizon agentic intelligence.
Authors: Eva Yezerets, En Yang, Misha B. Ahrens, Adam S. Charles
Abstract: Brain-wide recordings of large-scale networks of neurons now provide an unprecedented view into how the brain drives behavior. However, brain activity contains both information directly related to behavior as well as the potential for many internal computations. Moreover, observable behavior is executed not only by the brain, but also by the spinal cord and peripheral nervous system. Behavior is a coarse-grained product of neural activity, and we thus take the view that it can be best represented by lower-dimensional latent neural dynamics. Capturing this indirect relationship while disambiguating behavior-generating networks from internal computations running in parallel requires new modeling approaches that can embody the parallel and distributed nature of large-scale neural populations. We thus present behavior-decomposed linear dynamical systems (b-dLDS) to disentangle simultaneously recorded subsystems and identify how the latent neural subsystems relate to behavior. We demonstrate the ability of b-dLDS to decouple behavioral vs. internal computations on controlled, simulated data, showing improvements over a state-of-the-art model that uses behavior to supervise all dynamics based on behavior. We also demonstrate b-dLDS's interpretability benefits on a task-driven RNN dataset featuring a nonlinear relationship between behavior and activations. We then show that b-dLDS can further scale up to tens of thousands of neurons by applying our model to a large-scale recording of a zebrafish hindbrain during the complex positional homeostasis behavior, wherein b-dLDS highlights asymmetry in behavior-related dynamic connectivity networks.
Authors: Dilermando Almeida, Juliano Negri, Guilherme Lazzarini, Thiago H. Segreto, Ranulfo Bezerra, Ricardo V. Godoy, Marcelo Becker
Abstract: Robust grasping in cluttered, unstructured environments remains challenging for mobile legged manipulators due to occlusions that lead to partial observations, unreliable depth estimates, and the need for collision-free, execution-feasible approaches. In this paper we present an end-to-end pipeline for language-guided grasping that bridges open-vocabulary target selection to safe grasp execution on a real robot. Given a natural-language command, the system grounds the target in RGB using open-vocabulary detection and promptable instance segmentation, extracts an object-centric point cloud from RGB-D, and improves geometric reliability under occlusion via back-projected depth compensation and two-stage point cloud completion. We then generate and collision-filter 6-DoF grasp candidates and select an executable grasp using safety-oriented heuristics that account for reachability, approach feasibility, and clearance. We evaluate the method on a quadruped robot with an arm in two cluttered tabletop scenarios, using paired trials against a view-dependent baseline. The proposed approach achieves a 90% overall success rate (9/10) against 30% (3/10) for the baseline, demonstrating substantially improved robustness to occlusions and partial observations in clutter.
Authors: Ammar Daskin
Abstract: Quantum machine learning models based on parameterized circuits can be viewed as Fourier series approximators. However, they often struggle to learn functions with multiple frequency components, particularly high-frequency or non-dominant ones; a phenomenon we term the quantum Fourier parameterization bias. Inspired by recent advances in classical Fourier neural operators (FNOs), we adapt the multi-stage residual learning idea to the quantum domain, iteratively training additional quantum modules on the residuals of previous stages. We evaluate our method on a synthetic benchmark composed of spatially localized frequency components with diverse envelope shapes (Gaussian, Lorentzian, triangular). Systematic experiments show that the number of qubits, the encoding scheme, and residual learning are all crucial for resolving multiple frequencies; residual learning alone can improve test MSE significantly over a single-stage baseline trained for the same total number of epochs. Our work provides a practical framework for enhancing the spectral expressivity of quantum models and offers new insights into their frequency-learning behavior.
Authors: Zehao Jin, Yanan Sui
Abstract: The whole-brain connectome of a fruit fly comprises over 130K neurons connected with a probability of merely 0.02%, yet achieves an average shortest path of only 4.4 hops. Despite being highly structured at the circuit level, the network's long-range connections are broadly distributed across brain regions, functioning as stochastic shortcuts that enable efficient global communication. Inspired by this observation, we propose Stochastic Attention (SA), a drop-in enhancement for sliding-window attention (SWA) that applies a random permutation to the token sequence before windowed attention and restores the original order afterward. This transforms the fixed local window into a stochastic global one within the same $O(nw)$ per-layer budget. Through depth, independently sampled permutations yield exponentially growing receptive fields, achieving full sequence coverage in $O(\log_w n)$ layers versus $O(n/w)$ for SWA. We validate SA in two settings: pre-training language models from scratch, where a gated SA + SWA combination achieves the best average zero-shot accuracy, and training-free inference on Qwen3-8B and Qwen3-30B-A3B, where SA consistently outperforms SWA and matches or exceeds Mixture of Block Attention at comparable compute budgets. These results suggest that connectome-inspired stochastic routing is a practical primitive for improving the expressivity of efficient attention, complementary to existing linear and sparse approaches.
Authors: Saad Alqithami
Abstract: The evaluation of general-purpose artificial agents, particularly those based on LLMs, presents a significant challenge due to the non-transitive nature of their interactions. When agent A defeats B, B defeats C, and C defeats A, traditional ranking methods that force a linear ordering can be misleading and unstable. We argue that for such cyclic domains, the fundamental object of evaluation should not be a ranking alone but a set-valued core, as conceptualized in classical tournament theory. This paper introduces Soft Tournament Equilibrium (STE), a differentiable framework for learning and computing set-valued tournament solutions directly from pairwise comparison data. STE first learns a probabilistic tournament model, potentially conditioned on rich contextual information. It then employs differentiable operators for soft reachability and soft covering to compute continuous analogues of two seminal tournament solutions: the Top Cycle and the Uncovered Set. The output is a set of core agents, each with a continuous membership score that can be calibrated when suitable validation labels or repeated-sampling evidence are available. We develop the theoretical foundation for STE by proving consistency with classical solutions in the zero-temperature limit, establishing Condorcet-inclusion properties, and analyzing stability and sample complexity. We evaluate the method on a planted cyclic core benchmark and on real preference/execution diagnostics. This work provides a self-contained account that re-centers general-agent evaluation on a robust tournament-theoretic foundation, moving from unstable rankings toward stable, set-valued equilibria.
Authors: Zinan Guo, Zihan Wang, Chuan Yan, Liuhuo Wan, Ethan Ma, Guangdong Bai
Abstract: As deep learning inference is increasingly deployed in shared and cloud-based settings, a growing concern is input repurposing, in which data submitted for one task is reused by unauthorized models for another. Existing privacy defenses largely focus on restricting data access, but provide limited control over what downstream uses a released representation can still support. We propose a feature extraction framework that suppresses cross-model transfer while preserving accuracy for a designated classifier. The framework employs a variational latent bottleneck, trained with a task-driven cross-entropy objective and KL regularization, but without any pixel-level reconstruction loss, to encode inputs into a compact latent space. A dynamic binary mask, computed from per-dimension KL divergence and gradient-based saliency with respect to the frozen target model, suppresses latent dimensions that are uninformative for the intended task. Because saliency computation requires gradient access, the encoder is trained in a white-box setting, whereas inference requires only a forward pass through the frozen target model. On CIFAR-100, the processed representations retain strong utility for the designated classifier while reducing the accuracy of all unintended classifiers to below 2%, yielding a suppression ratio exceeding 45 times relative to unintended models. Preliminary experiments on CIFAR-10, Tiny ImageNet, and Pascal VOC provide exploratory evidence that the approach extends across task settings, although further evaluation is needed to assess robustness against adaptive adversaries.
Authors: Hamza A. Abushahla, Ariel Justine N. Panopio, Layth Al-Khairulla, Mohamed I. AlHajri
Abstract: Handwritten Arabic manuscripts preserve the Arab world's intellectual and cultural heritage, and writer identification supports provenance, authenticity verification, and historical analysis. Using the Muharaf dataset of historical Arabic manuscripts, we evaluate writer identification from individual line images and, to the best of our knowledge, provide the first baselines reported under both line-level and page-disjoint evaluation protocols. Since the dataset is only partially labeled for writer identification, we manually verified and expanded writer labels in the public portion from 6,858 (28.00%) to 21,249 lines (86.75%) out of 24,495 line images, correcting inconsistencies and removing non-handwritten text. After further filtering, we retained 18,987 lines (77.51%). We propose a Convolutional Neural Network (CNN)-based model with attention mechanisms for closed-set writer identification, including rare two-writer lines modeled as composite writer-pair classes. We benchmark fourteen configurations and conduct ablations across different feature extractors and training regimes. To assess generalization to unseen pages, the page-disjoint protocol assigns all lines from each page to a single split. Under the line-level protocol, a fine-tuned DenseNet201 with attention achieves 99.05% Top-1 accuracy, 99.73% Top-5 accuracy, and 97.44% F1-score. Under the more challenging page-disjoint protocol, the best observed results are 78.61% Top-1 accuracy, 87.79% Top-5 accuracy, and 66.55% F1-score, thus quantifying the impact of page-level cues. By expanding the Muharaf dataset's labeled subset and reporting both protocols, we provide a clearer benchmark and a practical resource for historians and linguists engaged with culturally and historically significant documents. The code and implementation details are available on GitHub.
Authors: Griffin Pitts, Muntasir Hoq, Peter Brusilovsky, Narges Norouzi, Arto Hellas, Juho Leinonen, Bita Akram
Abstract: Adaptive programming practice often relies on fixed libraries of worked examples and practice problems, which require substantial authoring effort and may not correspond well to the logical errors and partial solutions students produce while writing code. As a result, students may receive learning content that does not directly address the concepts they are working to understand, while instructors must either invest additional effort in expanding content libraries or accept a coarse level of personalization. We present an approach for knowledge-component (KC) guided educational content generation using pattern-based KCs extracted from student code. Given a problem statement and student submissions, our pipeline extracts recurring structural KC patterns from students' code through AST-based analysis and uses them to condition a generative model. In this study, we apply this approach to worked example generation, and compare baseline and KC-conditioned outputs through expert evaluation. Results suggest that KC-conditioned generation improves topical focus and relevance to students' underlying logical errors, providing evidence that KC-based steering of generative models can support personalized learning at scale.
Authors: Minhee Lee, Sangyoon Lee, Jiwook Lee, Minki Hong, Kyuyoung Kim, Won Hwa Kim, Jaeho Lee
Abstract: Lissajous confocal laser endomicroscopy (CLE) is a promising solution for high speed in vivo optical biopsy for handheld scenarios. However, Lissajous scanning traces a resonant trajectory and samples only the visited pixels per frame; at high frame rates, many pixels remain unvisited, creating structured holes. In this work, we introduce the first benchmark for high-rate Lissajous CLE, consisting of low-quality video clips paired with high-quality reference images. The reference images are wide-FOV mosaics obtained by stitching stabilized, slow-scan frames of the same tissue, enabling temporally aligned supervision. Using this dataset, we propose MIRA, a lightweight recurrent framework for Lissajous CLE restoration that iteratively aggregates temporal context through feature reuse and displacement alignment. Our experiments demonstrate that MIRA outperforms both lightweight and high-complexity baselines in restoration quality while maintaining a favorable computational efficiency suitable for clinical deployment.
Authors: Davi Febba, William A. Callahan, Anna Sacchi, Andriy Zakutayev
Abstract: We present a Safe Active Learning (SAL) framework for autonomous reliability characterization of rectifying Ga$_2$O$_3$-based devices under coupled thermal and hydrogen stress. SAL treats rectification as a device-physics-motivated safety observable and models its evolution over elapsed time, temperature, and H$_2$ concentration using a Gaussian-process surrogate. To handle condition-dependent and uncertain experiment durations, the method combines an adaptive completion-time window, time-window lower-confidence-bound safety checks, a trust region anchored to previously verified safe conditions, and a two-phase strategy that transitions from conservative safe exploration to progressively relaxed rectification targets as the device degrades. We first evaluate SAL in simulation, where it safely expands the explored region while learning the evolving rectification surface. We then demonstrate SAL experimentally on an automated high-temperature probe-station platform using a Pt/Cr$_2$O$_3$:Mg/$\beta$-Ga$_2$O$_3$ device. In the reported campaign, phase 1 incurred only one unsafe measurement associated with spurious current-voltage sweeps, while phase 2 intentionally probed lower-rectification regimes. Finally, we use the curated SAL dataset for offline long-horizon forecasting of device response at a target voltage using a structured Gaussian-process model with a condition-dependent Kohlrausch--Williams--Watts mean and a residual covariance kernel. The model captures long-time, saturating degradation trends in an auxiliary validation dataset, illustrating how safety-aware autonomous experimentation enables both conservative characterization and subsequent degradation modeling. Although demonstrated here for a rectifying Ga$_2$O$_3$ device, SAL is applicable to other systems where a measurable in situ safety observable can be defined.
Authors: Pawel Kaplanski (Kaplanski AI Lab)
Abstract: Recursive language-model loops often settle into recognizable attractor-like patterns. The practical question is how much injected text is needed to move a settled loop somewhere else, and whether that move lasts. We study this in 30-step recursive loops by separating the model from the context-update rule: append, replace, and dialog updates expose different histories to the same generator. The main result is that persistent redirection in append-mode recursive loops is memory-policy-conditioned. Under a 12,000-character tail clip, destination-coherent persistence plateaus near 16 percent and retained source-basin escape near 36 percent at dose 400; neither crosses 50 percent. Under a full-history protocol, retained source-basin escape crosses 50 percent near 400 tokens and saturates at 75-80 percent by 1,500 tokens; destination-coherent persistence first reaches 0.50 near 1,500 tokens (Wilson 95 percent CI [0.41, 0.61]). A four-step falsification battery (heterogeneity control, granularity sweep with hierarchical macro-merge, transition-entropy diagnostic, and long-horizon trajectory continuation) recasts the high-dose destination-coherent dip as a finite-horizon, endpoint-definition-sensitive feature rather than a stable structural asymmetry. Half the canonical magnitude is endpoint timing; the residual drops 73 percent from -0.143 at step 29 to -0.039 at step 79 under the frozen canonical cluster basis, bootstrap interval straddling zero. Replace-mode raw switching is near-saturated under the default protocol but largely reflects state-reset overwrite: insert-mode probes drop it to 12-32 percent. We report 37 experiments on gpt-4o-mini with within-vendor replication on gpt-4.1-nano. Recursive-loop evaluations should distinguish transient movement from durable escape, subtract stochastic floors, and treat context-update rules as safety-relevant design choices.
Authors: Tanush Yadav, Mohammadreza Salehi, Jae Sung Park, Vivek Ramanujan, Hannaneh Hajishirzi, Yejin Choi, Ali Farhadi, Rohun Tripathi, Ranjay Krishna
Abstract: Videos are unique in their ability to capture actions which transcend multiple frames. Accordingly, for many years action recognition was the quintessential task for video understanding. Unfortunately, due to a lack of sufficiently diverse and challenging data, modern vision-language models (VLMs) are no longer evaluated on their action recognition capabilities. To revitalize action recognition in the era of VLMs, we advocate for a returned focus on domain-specific actions. To this end, we introduce VideoNet, a domain-specific action recognition benchmark covering 1,000 distinct actions from 37 domains. We begin with a multiple-choice evaluation setting, where the difference between closed and open models is stark: Gemini 3.1 Pro attains 69.9% accuracy while Qwen3-VL-8B gets a mere 45.0%. To understand why VLMs struggle on VideoNet, we relax the questions into a binary setting, where random chance is 50%. Still, Qwen achieves only 59.2% accuracy. Further relaxing the evaluation setup, we provide $k\in\{1,2,3\}$ in-context examples of the action. Some models excel in the few-shot setting, while others falter; Qwen improves $+7.0\%$, while Gemini declines $-4.8\%$. Notably, these gains fall short of the $+13.6\%$ improvement in non-expert humans when given few-shot examples. Finding that VLMs struggle to fully exploit in-context examples, we shift from test-time improvements to the training side. We collect the first large-scale training dataset for domain-specific actions, totaling nearly 500k video question-answer pairs. Fine-tuning a Molmo2-4B model on our data, we surpass all open-weight 8B models on the VideoNet benchmark.
Authors: Xinhui Xiong, Bin Gao, P. -A. Absil
Abstract: Retraction-free approaches offer attractive low-cost alternatives to Riemannian methods on the Stiefel manifold, but they are often first-order, which may limit the efficiency under high-accuracy requirements. To this end, we propose a second-order method landing on the Stiefel manifold without invoking retractions, which is proved to enjoy local quadratic (or superlinear for its inexact variant) convergence. The update consists of the sum of (i) a component tangent to the level set of the constraint-defining function that aims to reduce the objective and (ii) a component normal to the same level set that reduces the infeasibility. Specifically, we construct the normal component via Newton$\unicode{x2013}$Schulz, a fixed-point iteration for orthogonalization. Moreover, we establish a geometric connection between the Newton$\unicode{x2013}$Schulz iteration and Stiefel manifolds, in which Newton$\unicode{x2013}$Schulz moves along the normal space. For the tangent component, we formulate a modified Newton equation that incorporates Newton$\unicode{x2013}$Schulz. Numerical experiments on the orthogonal Procrustes problem, principal component analysis, and real-data independent component analysis illustrate that the proposed method performs better than the existing methods.