Authors: Wuhao Wang, Zhiyong Chen
Abstract: Reinforcement learning in real-world applications often involves output-feedback settings, where the agent receives only partial state information. To address this challenge, we propose the Output-Feedback Markov Decision Process (OPMDP), which extends the standard MDP formulation to accommodate decision-making based on observation histories. Building on this framework, we introduce Depthwise Attention Twin Delayed Deep Deterministic Policy Gradient (DATD3), a novel actor-critic algorithm that employs depthwise separable convolution and multi-head attention to encode historical observations. DATD3 maintains policy expressiveness while avoiding the instability of recurrent models. Extensive experiments on continuous control tasks demonstrate that DATD3 outperforms existing memory-based and recurrent baselines under both partial and full observability.
Authors: Wenju Sun, Qingyong Li, Wen Wang, Yang Liu, Yangli-ao Geng, Boyang Li
Abstract: Multi-task model merging aims to consolidate knowledge from multiple fine-tuned task-specific experts into a unified model while minimizing performance degradation. Existing methods primarily approach this by minimizing differences between task-specific experts and the unified model, either from a parameter-level or a task-loss perspective. However, parameter-level methods exhibit a significant performance gap compared to the upper bound, while task-loss approaches entail costly secondary training procedures. In contrast, we observe that performance degradation closely correlates with feature drift, i.e., differences in feature representations of the same sample caused by model merging. Motivated by this observation, we propose Layer-wise Optimal Task Vector Merging (LOT Merging), a technique that explicitly minimizes feature drift between task-specific experts and the unified model in a layer-by-layer manner. LOT Merging can be formulated as a convex quadratic optimization problem, enabling us to analytically derive closed-form solutions for the parameters of linear and normalization layers. Consequently, LOT Merging achieves efficient model consolidation through basic matrix operations. Extensive experiments across vision and vision-language benchmarks demonstrate that LOT Merging significantly outperforms baseline methods, achieving improvements of up to 4.4% (ViT-B/32) over state-of-the-art approaches.
Authors: Renye Zhang, Mengyun Yang, Qichang Zhao, Jianxin Wang
Abstract: Drug repositioning aims to identify potential new indications for existing drugs to reduce the time and financial costs associated with developing new drugs. Most existing deep learning-based drug repositioning methods predominantly utilize graph-based representations. However, graph-based drug repositioning methods struggle to perform effective inference in cold-start scenarios involving novel drugs because of the lack of association information with the diseases. Unlike traditional graph-based approaches, we propose a bidirectional behavior learning strategy for drug repositioning, known as BiBLDR. This innovative framework redefines drug repositioning as a behavior sequential learning task to capture drug-disease interaction patterns. First, we construct bidirectional behavioral sequences based on drug and disease sides. The consideration of bidirectional information ensures a more meticulous and rigorous characterization of the behavioral sequences. Subsequently, we propose a two-stage strategy for drug repositioning. In the first stage, we construct prototype spaces to characterize the representational attributes of drugs and diseases. In the second stage, these refined prototypes and bidirectional behavior sequence data are leveraged to predict potential drug-disease associations. Based on this learning approach, the model can more robustly and precisely capture the interactive relationships between drug and disease features from bidirectional behavioral sequences. Extensive experiments demonstrate that our method achieves state-of-the-art performance on benchmark datasets. Meanwhile, BiBLDR demonstrates significantly superior performance compared to previous methods in cold-start scenarios. Our code is published in https://github.com/Renyeeah/BiBLDR.
Authors: Chang Liu, Bohao Zhao, Jingtao Ding, Huandong Wang, Yong Li
Abstract: Long-term forecasting of chaotic systems from short-term observations remains a fundamental and underexplored challenge due to the intrinsic sensitivity to initial conditions and the complex geometry of strange attractors. Existing approaches often rely on long-term training data or focus on short-term sequence correlations, struggling to maintain predictive stability and dynamical coherence over extended horizons. We propose PhyxMamba, a novel framework that integrates a Mamba-based state-space model with physics-informed principles to capture the underlying dynamics of chaotic systems. By reconstructing the attractor manifold from brief observations using time-delay embeddings, PhyxMamba extracts global dynamical features essential for accurate forecasting. Our generative training scheme enables Mamba to replicate the physical process, augmented by multi-token prediction and attractor geometry regularization for physical constraints, enhancing prediction accuracy and preserving key statistical invariants. Extensive evaluations on diverse simulated and real-world chaotic systems demonstrate that PhyxMamba delivers superior long-term forecasting and faithfully captures essential dynamical invariants from short-term data. This framework opens new avenues for reliably predicting chaotic systems under observation-scarce conditions, with broad implications across climate science, neuroscience, epidemiology, and beyond. Our code is open-source at https://github.com/tsinghua-fib-lab/PhyxMamba.
Authors: Wei Zhuo, Zhaohuan Zhan, Ziduo Yang, Han Yu
Abstract: Federated learning (FL) on graph-structured data typically faces non-IID challenges, particularly in scenarios where each client holds a distinct subgraph sampled from a global graph. In this paper, we introduce Federated learning with Auxiliary projections (FedAux), a personalized subgraph FL framework that learns to align, compare, and aggregate heterogeneously distributed local models without sharing raw data or node embeddings. In FedAux, each client jointly trains (i) a local GNN and (ii) a learnable auxiliary projection vector (APV) that differentiably projects node embeddings onto a 1D space. A soft-sorting operation followed by a lightweight 1D convolution refines these embeddings in the ordered space, enabling the APV to effectively capture client-specific information. After local training, these APVs serve as compact signatures that the server uses to compute inter-client similarities and perform similarity-weighted parameter mixing, yielding personalized models while preserving cross-client knowledge transfer. Moreover, we provide rigorous theoretical analysis to establish the convergence and rationality of our design. Empirical evaluations across diverse graph benchmarks demonstrate that FedAux substantially outperforms existing baselines in both accuracy and personalization performance.
Authors: Emanuele Masiero, Vito Trianni, Giuseppe Vizzari, Dimitri Ognibene
Abstract: Precision agriculture requires efficient autonomous systems for crop monitoring, where agents must explore large-scale environments while minimizing resource consumption. This work addresses the problem as an active exploration task in a grid environment representing an agricultural field. Each cell may contain targets (e.g., damaged crops) observable from nine predefined points of view (POVs). Agents must infer the number of targets per cell using partial, sequential observations. We propose a two-stage deep learning framework. A pre-trained LSTM serves as a belief model, updating a probabilistic map of the environment and its associated entropy, which defines the expected information gain (IG). This allows agents to prioritize informative regions. A key contribution is the inclusion of a POV visibility mask in the input, preserving the Markov property under partial observability and avoiding revisits to already explored views. Three agent architectures were compared: an untrained IG-based agent selecting actions to maximize entropy reduction; a DQN agent using CNNs over local 3x3 inputs with belief, entropy, and POV mask; and a Double-CNN DQN agent with wider spatial context. Simulations on 20x20 maps showed that the untrained agent performs well despite its simplicity. The DQN agent matches this performance when the POV mask is included, while the Double-CNN agent consistently achieves superior exploration efficiency, especially in larger environments. Results show that uncertainty-aware policies leveraging entropy, belief states, and visibility tracking lead to robust and scalable exploration. Future work includes curriculum learning, multi-agent cooperation with shared rewards, transformer-based models, and intrinsic motivation mechanisms to further enhance learning efficiency and policy generalization.
Authors: Chengli Tan, Yubo Zhou, Haishan Ye, Guang Dai, Junmin Liu, Zengjie Song, Jiangshe Zhang, Zixiang Zhao, Yunda Hao, Yong Xu
Abstract: Deep neural networks have been increasingly used in safety-critical applications such as medical diagnosis and autonomous driving. However, many studies suggest that they are prone to being poorly calibrated and have a propensity for overconfidence, which may have disastrous consequences. In this paper, unlike standard training such as stochastic gradient descent, we show that the recently proposed sharpness-aware minimization (SAM) counteracts this tendency towards overconfidence. The theoretical analysis suggests that SAM allows us to learn models that are already well-calibrated by implicitly maximizing the entropy of the predictive distribution. Inspired by this finding, we further propose a variant of SAM, coined as CSAM, to ameliorate model calibration. Extensive experiments on various datasets, including ImageNet-1K, demonstrate the benefits of SAM in reducing calibration error. Meanwhile, CSAM performs even better than SAM and consistently achieves lower calibration error than other approaches
Authors: Zhaokun Wang, Jinyu Guo, Jingwen Pu, Lingfeng Chen, Hongli Pu, Jie Ou. Libo Qin, Wenhong Tian
Abstract: Current parameter-efficient fine-tuning methods for adapting pre-trained language models to downstream tasks are susceptible to interference from noisy data. Conventional noise-handling approaches either rely on laborious data pre-processing or employ model architecture modifications prone to error accumulation. In contrast to existing noise-process paradigms, we propose a noise-robust adaptation method via asymmetric LoRA poisoning experts (LoPE), a novel framework that enhances model robustness to noise only with generated noisy data. Drawing inspiration from the mixture-of-experts architecture, LoPE strategically integrates a dedicated poisoning expert in an asymmetric LoRA configuration. Through a two-stage paradigm, LoPE performs noise injection on the poisoning expert during fine-tuning to enhance its noise discrimination and processing ability. During inference, we selectively mask the dedicated poisoning expert to leverage purified knowledge acquired by normal experts for noise-robust output. Extensive experiments demonstrate that LoPE achieves strong performance and robustness purely through the low-cost noise injection, which completely eliminates the requirement of data cleaning.
Authors: Yixian Shen, Qi Bi, Jia-Hong Huang, Hongyi Zhu, Andy D. Pimentel, Anuj Pathania
Abstract: We present a new adaptation method MaCP, Minimal yet Mighty adaptive Cosine Projection, that achieves exceptional performance while requiring minimal parameters and memory for fine-tuning large foundation models. Its general idea is to exploit the superior energy compaction and decorrelation properties of cosine projection to improve both model efficiency and accuracy. Specifically, it projects the weight change from the low-rank adaptation into the discrete cosine space. Then, the weight change is partitioned over different levels of the discrete cosine spectrum, and each partition's most critical frequency components are selected. Extensive experiments demonstrate the effectiveness of MaCP across a wide range of single-modality tasks, including natural language understanding, natural language generation, text summarization, as well as multi-modality tasks such as image classification and video understanding. MaCP consistently delivers superior accuracy, significantly reduced computational complexity, and lower memory requirements compared to existing alternatives.
Authors: Zeyuan Liu, Zhihe Yang, Jiawei Xu, Rui Yang, Jiafei Lyu, Baoxiang Wang, Yunjian Xu, Xiu Li
Abstract: Real-world datasets collected from sensors or human inputs are prone to noise and errors, posing significant challenges for applying offline reinforcement learning (RL). While existing methods have made progress in addressing corrupted actions and rewards, they remain insufficient for handling corruption in high-dimensional state spaces and for cases where multiple elements in the dataset are corrupted simultaneously. Diffusion models, known for their strong denoising capabilities, offer a promising direction for this problem-but their tendency to overfit noisy samples limits their direct applicability. To overcome this, we propose Ambient Diffusion-Guided Dataset Recovery (ADG), a novel approach that pioneers the use of diffusion models to tackle data corruption in offline RL. First, we introduce Ambient Denoising Diffusion Probabilistic Models (DDPM) from approximated distributions, which enable learning on partially corrupted datasets with theoretical guarantees. Second, we use the noise-prediction property of Ambient DDPM to distinguish between clean and corrupted data, and then use the clean subset to train a standard DDPM. Third, we employ the trained standard DDPM to refine the previously identified corrupted data, enhancing data quality for subsequent offline RL training. A notable strength of ADG is its versatility-it can be seamlessly integrated with any offline RL algorithm. Experiments on a range of benchmarks, including MuJoCo, Kitchen, and Adroit, demonstrate that ADG effectively mitigates the impact of corrupted data and improves the robustness of offline RL under various noise settings, achieving state-of-the-art results.
Authors: Peter Samoaa, Marcus Vukojevic, Morteza Haghir Chehreghani, Antonio Longa
Abstract: Graph-level regression underpins many real-world applications, yet public benchmarks remain heavily skewed toward molecular graphs and citation networks. This limited diversity hinders progress on models that must generalize across both homogeneous and heterogeneous graph structures. We introduce RelSC, a new graph-regression dataset built from program graphs that combine syntactic and semantic information extracted from source code. Each graph is labelled with the execution-time cost of the corresponding program, providing a continuous target variable that differs markedly from those found in existing benchmarks. RelSC is released in two complementary variants. RelSC-H supplies rich node features under a single (homogeneous) edge type, while RelSC-M preserves the original multi-relational structure, connecting nodes through multiple edge types that encode distinct semantic relationships. Together, these variants let researchers probe how representation choice influences model behaviour. We evaluate a diverse set of graph neural network architectures on both variants of RelSC. The results reveal consistent performance differences between the homogeneous and multi-relational settings, emphasising the importance of structural representation. These findings demonstrate RelSC's value as a challenging and versatile benchmark for advancing graph regression methods.
Authors: Polad Geidarov
Abstract: The paper discusses the capabilities of multilayer perceptron neural networks implementing metric recognition methods, for which the values of the weights are calculated analytically by formulas. Comparative experiments in training a neural network with pre-calculated weights and with random initialization of weights on different sizes of the MNIST training dataset are carried out. The results of the experiments show that a multilayer perceptron with pre-calculated weights can be trained much faster and is much more robust to the reduction of the training dataset.
Authors: Jing Ma, Chenhao Dang, Mingjie Liao
Abstract: The coverage and composition of pretraining data significantly impacts the generalization ability of Large Language Models (LLMs). To reduce the carbon footprint and financial costs of training, some data mixing methods, which applied the optimized domain weights of a small proxy model to train a larger one, were proposed. However, these methods did not evolute with the training dynamics. The existing online data mixing (ODM) method addressed this limitation by applying the multi-armed bandit algorithm as data sampling strategy. Yet, it did not consider the intra-domain interactions. In this paper, we develop an actor-critic based online data mixing (AC-ODM) method, which captures the varying domain weights by auxiliary actor-critic networks and consider the intra-domain interactions with the reward function. While constructing the dataset to pretrain a large target LLM, we directly apply the actor, which is trained with a small proxy LLM as the environment, as the sampling strategy. The transfer of sampling strategy can not only ensure the efficiency of dynamical data mixing, but also expedite the convergence of pretraining the target LLM. Numerical results demonstrate that AC-ODM-410M, which invokes the sampling strategy obtained by a proxy LLM with 410M parameters, reaching the optimal validation perplexity of ODM 71% faster, and improves performance on the zero-shot MMLU benchmark by 27.5% of accuracy, about 2.23x better on pass@1 of HumanEval benchmark.
Authors: Caio Cheohen, Vinn\'icius M. S. Gomes, Manuela L. da Silva
Abstract: The COVID-19 pandemic, caused by SARS-CoV-2, highlighted the critical need for accurate prediction of disease severity to optimize healthcare resource allocation and patient management. The spike protein, which facilitates viral entry into host cells, exhibits high mutation rates, particularly in the receptor-binding domain, influencing viral pathogenicity. Artificial intelligence approaches, such as deep learning, offer promising solutions for leveraging genomic and clinical data to predict disease outcomes. Objective: This study aimed to develop a hybrid CNN-LSTM deep learning model to predict COVID-19 severity using spike protein sequences and associated clinical metadata from South American patients. Methods: We retrieved 9,570 spike protein sequences from the GISAID database, of which 3,467 met inclusion criteria after standardization. The dataset included 2,313 severe and 1,154 mild cases. A feature engineering pipeline extracted features from sequences, while demographic and clinical variables were one-hot encoded. A hybrid CNN-LSTM architecture was trained, combining CNN layers for local pattern extraction and an LSTM layer for long-term dependency modeling. Results: The model achieved an F1 score of 82.92%, ROC-AUC of 0.9084, precision of 83.56%, and recall of 82.85%, demonstrating robust classification performance. Training stabilized at 85% accuracy with minimal overfitting. The most prevalent lineages (P.1, AY.99.2) and clades (GR, GK) aligned with regional epidemiological trends, suggesting potential associations between viral genetics and clinical outcomes. Conclusion: The CNN-LSTM hybrid model effectively predicted COVID-19 severity using spike protein sequences and clinical data, highlighting the utility of AI in genomic surveillance and precision public health. Despite limitations, this approach provides a framework for early severity prediction in future outbreaks.
Authors: Tianyuan Zhang, Sai Bi, Yicong Hong, Kai Zhang, Fujun Luan, Songlin Yang, Kalyan Sunkavalli, William T. Freeman, Hao Tan
Abstract: Test-Time Training (TTT) models context dependencies by adapting part of the model's weights (referred to as fast weights) during inference. This fast weight, akin to recurrent states in RNNs, stores temporary memories of past tokens in the current sequence. Existing TTT methods struggled to show effectiveness in handling long-context data, due to their inefficiency on modern GPUs. The TTT layers in many of these approaches operate with extremely low FLOPs utilization (often <5%) because they deliberately apply small online minibatch sizes (e.g., updating fast weights every 16 or 64 tokens). Moreover, a small minibatch implies fine-grained block-wise causal dependencies in the data, unsuitable for data beyond 1D ordered sequences, like sets or N-dimensional grids such as images or videos. In contrast, we pursue the opposite direction by using an extremely large chunk update, ranging from 2K to 1M tokens across tasks of varying modalities, which we refer to as Large Chunk Test-Time Training (LaCT). It improves hardware utilization by orders of magnitude, and more importantly, facilitates scaling of nonlinear state size (up to 40% of model parameters), hence substantially improving state capacity, all without requiring cumbersome and error-prone kernel implementations. It also allows easy integration of sophisticated optimizers, e.g. Muon for online updates. We validate our approach across diverse modalities and tasks, including novel view synthesis with image set, language models, and auto-regressive video diffusion. Our approach can scale up to 14B-parameter AR video diffusion model on sequences up to 56K tokens. In our longest sequence experiment, we perform novel view synthesis with 1 million context length. We hope this work will inspire and accelerate new research in the field of long-context modeling and test-time training. Website: https://tianyuanzhang.com/projects/ttt-done-right
Authors: Gustavo Sutter Pessurno de Carvalho, Mohammed Abdulrahman, Hao Wang, Sriram Ganapathi Subramanian, Marc St-Aubin, Sharon O'Sullivan, Lawrence Wan, Luis Ricardez-Sandoval, Pascal Poupart, Agustinus Kristiadi
Abstract: The optimization of expensive black-box functions is ubiquitous in science and engineering. A common solution to this problem is Bayesian optimization (BO), which is generally comprised of two components: (i) a surrogate model and (ii) an acquisition function, which generally require expensive re-training and optimization steps at each iteration, respectively. Although recent work enabled in-context surrogate models that do not require re-training, virtually all existing BO methods still require acquisition function maximization to select the next observation, which introduces many knobs to tune, such as Monte Carlo samplers and multi-start optimizers. In this work, we propose a completely in-context, zero-shot solution for BO that does not require surrogate fitting or acquisition function optimization. This is done by using a pre-trained deep generative model to directly sample from the posterior over the optimum point. We show that this process is equivalent to Thompson sampling and demonstrate the capabilities and cost-effectiveness of our foundation model on a suite of real-world benchmarks. We achieve an efficiency gain of more than 35x in terms of wall-clock time when compared with Gaussian process-based BO, enabling efficient parallel and distributed BO, e.g., for high-throughput optimization.
Authors: Songtao Feng, Jie Fu
Abstract: Reinforcement learning from human feedback (RLHF) has achieved great empirical success in aligning large language models (LLMs) with human preference, and it is of great importance to study the statistical efficiency of RLHF algorithms from a theoretical perspective. In this work, we consider the online RLHF setting where the preference data is revealed during the learning process and study action value function approximation. We design a model-free posterior sampling algorithm for online RLHF inspired by Thompson sampling and provide its theoretical guarantee. Specifically, we adopt Bellman eluder (BE) dimension as the complexity measure of the function class and establish $O(\sqrt{T})$ regret bound for the proposed algorithm with other multiplicative factor depending on the horizon, BE dimension and the $log$-bracketing number of the function class. Further, in the analysis, we first establish the concentration-type inequality of the squared Bellman error bound based on the maximum likelihood estimator (MLE) generalization bound, which plays the crucial rules in obtaining the eluder-type regret bound and may be of independent interest.
Authors: Galen Pogoncheff, Michael Beyeler
Abstract: Human-aligned deep learning models exhibit behaviors consistent with human values, such as robustness, fairness, and honesty. Transferring these behavioral properties to models trained on different tasks or data distributions remains challenging: aligned behavior is easily forgotten during fine-tuning, and collecting task-specific data that preserves this behavior can be prohibitively costly. We introduce BIRD (Behavior Induction via Representation-structure Distillation), a flexible framework for transferring aligned behavior by matching the internal representation structure of a student model to that of a teacher. Applied to out-of-distribution robustness in image classification, BIRD outperforms fine-tuning, transfer learning, and continual learning methods, improving robust accuracy by up to 16% over the next strongest baseline. It remains effective even when the teacher is trained on a much simpler dataset and is $25 \times$ smaller than the student. In a large-scale study of over 400 teacher-student pairs, we show that three interpretable and computable properties of the teacher's representations (i.e., task relevance, behavioral relevance, and complementary knowledge) explain up to 85% of the variance in transfer success. These insights offer practical guidance for teacher selection and design. BIRD turns small, well-aligned models into scalable alignment seeds, removing a key bottleneck in deploying safe AI systems in the wild.
Authors: Andrea Mattia Garavagno, Edoardo Ragusa, Antonio Frisoli, Paolo Gastaldo
Abstract: This paper presents an automatic method for the design of Neural Networks (NNs) at the edge, enabling Machine Learning (ML) access even in privacy-sensitive Internet of Things (IoT) applications. The proposed method runs on IoT gateways and designs NNs for connected sensor nodes without sharing the collected data outside the local network, keeping the data in the site of collection. This approach has the potential to enable ML for Healthcare Internet of Things (HIoT) and Industrial Internet of Things (IIoT), designing hardware-friendly and custom NNs at the edge for personalized healthcare and advanced industrial services such as quality control, predictive maintenance, or fault diagnosis. By preventing data from being disclosed to cloud services, this method safeguards sensitive information, including industrial secrets and personal data. The outcomes of a thorough experimental session confirm that -- on the Visual Wake Words dataset -- the proposed approach can achieve state-of-the-art results by exploiting a search procedure that runs in less than 10 hours on the Raspberry Pi Zero 2.
Authors: An Vo, Khai-Nguyen Nguyen, Mohammad Reza Taesiri, Vy Tuong Dang, Anh Totti Nguyen, Daeyoung Kim
Abstract: Large language models (LLMs) memorize a vast amount of prior knowledge from the Internet that help them on downstream tasks but also may notoriously sway their outputs towards wrong or biased answers. In this work, we test how the knowledge about popular subjects hurt the accuracy of vision language models (VLMs) on standard, objective visual tasks of counting and identification. We find that state-of-the-art VLMs are strongly biased (e.g, unable to recognize a fourth stripe has been added to a 3-stripe Adidas logo) scoring an average of 17.05% accuracy in counting (e.g., counting stripes in an Adidas-like logo) across 7 diverse domains from animals, logos, chess, board games, optical illusions, to patterned grids. Insert text (e.g., "Adidas") describing the subject name into the counterfactual image further decreases VLM accuracy. The biases in VLMs are so strong that instructing them to double-check their results or rely exclusively on image details to answer improves counting accuracy by only +2 points, on average. Our work presents an interesting failure mode in VLMs and an automated framework for testing VLM biases. Code and data are available at: vlmsarebiased.github.io.
Authors: Gaurav Sarkar, Jay Gala, Subarna Tripathi
Abstract: The design of activation functions remains a pivotal component in optimizing deep neural networks. While prevailing choices like Swish and GELU demonstrate considerable efficacy, they often exhibit domain-specific optima. This work introduces SG-Blend, a novel activation function that blends our proposed SSwish, a first-order symmetric variant of Swish and the established GELU through dynamic interpolation. By adaptively blending these constituent functions via learnable parameters, SG-Blend aims to harness their complementary strengths: SSwish's controlled non-monotonicity and symmetry, and GELU's smooth, probabilistic profile, to achieve a more universally robust balance between model expressivity and gradient stability. We conduct comprehensive empirical evaluations across diverse modalities and architectures, showing performance improvements across all considered natural language and computer vision tasks and models. These results, achieved with negligible computational overhead, underscore SG-Blend's potential as a versatile, drop-in replacement that consistently outperforms strong contemporary baselines. The code is available at https://anonymous.4open.science/r/SGBlend-6CBC.
Authors: Samuel M\"uller, Arik Reuter, Noah Hollmann, David R\"ugamer, Frank Hutter
Abstract: Training neural networks on randomly generated artificial datasets yields Bayesian models that capture the prior defined by the dataset-generating distribution. Prior-data Fitted Networks (PFNs) are a class of methods designed to leverage this insight. In an era of rapidly increasing computational resources for pre-training and a near stagnation in the generation of new real-world data in many applications, PFNs are poised to play a more important role across a wide range of applications. They enable the efficient allocation of pre-training compute to low-data scenarios. Originally applied to small Bayesian modeling tasks, the field of PFNs has significantly expanded to address more complex domains and larger datasets. This position paper argues that PFNs and other amortized inference approaches represent the future of Bayesian inference, leveraging amortized learning to tackle data-scarce problems. We thus believe they are a fruitful area of research. In this position paper, we explore their potential and directions to address their current limitations.
Authors: Xiang Meng, Mehdi Makni, Rahul Mazumder
Abstract: Network pruning reduces the computational requirements of large neural networks, with N:M sparsity -- retaining only N out of every M consecutive weights -- offering a compelling balance between compressed model quality and hardware acceleration. However, N:M sparsity only accelerates forward-pass computations, as N:M patterns are not preserved during matrix transposition, limiting efficiency during training where both passes are computationally intensive. While transposable N:M sparsity has been proposed to address this limitation, existing methods for finding transposable N:M sparse masks either fail to scale to large models or are restricted to M=4 which results in suboptimal compression-accuracy trade-off. We introduce an efficient solver for transposable N:M masks that scales to billion-parameter models. We formulate mask generation as optimal transport problems and solve through entropy regularization and Dykstra's algorithm, followed by a rounding procedure. Our tensor-based implementation exploits GPU parallelism, achieving up to 100x speedup with only 1-10% error compared to existing methods. Our approach can be integrated with layer-wise N:M pruning frameworks including Wanda, SparseGPT and ALPS to produce transposable N:M sparse models with arbitrary N:M values. Experiments show that LLaMA3.2-8B with transposable 16:32 sparsity maintains performance close to its standard N:M counterpart and outperforms standard 2:4 sparse model, showing the practical value of our approach.
Authors: Dylan Zapzalka, Trenton Chang, Lindsay Warrenburg, Sae-Hwan Park, Daniel K. Shenfeld, Ravi B. Parikh, Jenna Wiens, Maggie Makar
Abstract: In settings where ML models are used to inform the allocation of resources, agents affected by the allocation decisions might have an incentive to strategically change their features to secure better outcomes. While prior work has studied strategic responses broadly, disentangling misreporting from genuine modification remains a fundamental challenge. In this paper, we propose a causally-motivated approach to identify and quantify how much an agent misreports on average by distinguishing deceptive changes in their features from genuine modification. Our key insight is that, unlike genuine modification, misreported features do not causally affect downstream variables (i.e., causal descendants). We exploit this asymmetry by comparing the causal effect of misreported features on their causal descendants as derived from manipulated datasets against those from unmanipulated datasets. We formally prove identifiability of the misreporting rate and characterize the variance of our estimator. We empirically validate our theoretical results using a semi-synthetic and real Medicare dataset with misreported data, demonstrating that our approach can be employed to identify misreporting in real-world scenarios.
Authors: Henry Conklin
Abstract: Despite the remarkable success of large large-scale neural networks, we still lack unified notation for thinking about and describing their representational spaces. We lack methods to reliably describe how their representations are structured, how that structure emerges over training, and what kinds of structures are desirable. This thesis introduces quantitative methods for identifying systematic structure in a mapping between spaces, and leverages them to understand how deep-learning models learn to represent information, what representational structures drive generalisation, and how design decisions condition the structures that emerge. To do this I identify structural primitives present in a mapping, along with information theoretic quantifications of each. These allow us to analyse learning, structure, and generalisation across multi-agent reinforcement learning models, sequence-to-sequence models trained on a single task, and Large Language Models. I also introduce a novel, performant, approach to estimating the entropy of vector space, that allows this analysis to be applied to models ranging in size from 1 million to 12 billion parameters. The experiments here work to shed light on how large-scale distributed models of cognition learn, while allowing us to draw parallels between those systems and their human analogs. They show how the structures of language and the constraints that give rise to them in many ways parallel the kinds of structures that drive performance of contemporary neural networks.
Authors: Anders Aamand, Justin Y. Chen, Siddharth Gollapudi, Sandeep Silwal, Hao Wu
Abstract: We design improved approximation algorithms for NP-hard graph problems by incorporating predictions (e.g., learned from past data). Our prediction model builds upon and extends the $\varepsilon$-prediction framework by Cohen-Addad, d'Orsi, Gupta, Lee, and Panigrahi (NeurIPS 2024). We consider an edge-based version of this model, where each edge provides two bits of information, corresponding to predictions about whether each of its endpoints belong to an optimal solution. Even with weak predictions where each bit is only $\varepsilon$-correlated with the true solution, this information allows us to break approximation barriers in the standard setting. We develop algorithms with improved approximation ratios for MaxCut, Vertex Cover, Set Cover, and Maximum Independent Set problems (among others). Across these problems, our algorithms share a unifying theme, where we separately satisfy constraints related to high degree vertices (using predictions) and low-degree vertices (without using predictions) and carefully combine the answers.
Authors: William Merrill, Shane Arora, Dirk Groeneveld, Hannaneh Hajishirzi
Abstract: The right batch size is important when training language models at scale: a large batch size is necessary for fast training, but a batch size that is too large will harm token efficiency. To navigate this tradeoff, McCandlish et al. (2018) suggest that a critical batch size (CBS), below which training will not substantially degrade loss, can be estimated based on the gradient noise scale during training. While their method has been adopted in practice, e.g., when training GPT-3, strong assumptions are required to justify gradient noise as a proxy for the CBS, which makes it unclear whether their approach should be trusted in practice, limiting its applicability. In this paper, we introduce a simple, empirical approach to directly measure the CBS and show how the CBS evolves over training. Applying our approach to the OLMo models, we find that CBS is near 0 at initialization, increases rapidly at first, and then plateaus as training progresses. Furthermore, we find that this trend holds across different model sizes (1B and 7B), suggesting CBS from small training runs can inform larger-scale training runs. Our findings about how the CBS changes over training motivate batch size warmup as a natural way to reliably train language models at large batch size: start the batch size small and increase it as the CBS grows. To validate this claim, we use batch size warmup to train OLMo 1B to slightly better loss than the original training run with 43% fewer gradient steps. This shows how our framework can be applied to reliably train language models at larger batch sizes, increasing data parallelism without compromising performance.
Authors: Asaf Goren, Natalie Lang, Nir Shlezinger, Alejandro Cohen
Abstract: Federated learning (FL) enables collaborative model training across distributed edge devices while preserving data privacy, and typically operates in a round-based synchronous manner. However, synchronous FL suffers from latency bottlenecks due to device heterogeneity, where slower clients (stragglers) delay or degrade global updates. Prior solutions, such as fixed deadlines, client selection, and layer-wise partial aggregation, alleviate the effect of stragglers, but treat round timing and local workload as static parameters, limiting their effectiveness under strict time constraints. We propose ADEL-FL, a novel framework that jointly optimizes per-round deadlines and user-specific batch sizes for layer-wise aggregation. Our approach formulates a constrained optimization problem minimizing the expected L2 distance to the global optimum under total training time and global rounds. We provide a convergence analysis under exponential compute models and prove that ADEL-FL yields unbiased updates with bounded variance. Extensive experiments demonstrate that ADEL-FL outperforms alternative methods in both convergence rate and final accuracy under heterogeneous conditions.
Authors: Vishal Dey, Xiao Hu, Xia Ning
Abstract: In real-world drug design, molecule optimization requires selectively improving multiple molecular properties up to pharmaceutically relevant levels, while maintaining others that already meet such criteria. However, existing computational approaches and instruction-tuned LLMs fail to capture such nuanced property-specific objectives, limiting their practical applicability. To address this, we introduce C-MuMOInstruct, the first instruction-tuning dataset focused on multi-property optimization with explicit, property-specific objectives. Leveraging C-MuMOInstruct, we develop GeLLMO-Cs, a series of instruction-tuned LLMs that can perform targeted property-specific optimization. Our experiments across 5 in-distribution and 5 out-of-distribution tasks show that GeLLMO-Cs consistently outperform strong baselines, achieving up to 126% higher success rate. Notably, GeLLMO-Cs exhibit impressive 0-shot generalization to novel optimization tasks and unseen instructions. This offers a step toward a foundational LLM to support realistic, diverse optimizations with property-specific objectives. C-MuMOInstruct and code are accessible through https://github.com/ninglab/GeLLMO-C.
Authors: ChengAo Shen, Wenchao Yu, Ziming Zhao, Dongjin Song, Wei Cheng, Haifeng Chen, Jingchao Ni
Abstract: Time series, typically represented as numerical sequences, can also be transformed into images and texts, offering multi-modal views (MMVs) of the same underlying signal. These MMVs can reveal complementary patterns and enable the use of powerful pre-trained large models, such as large vision models (LVMs), for long-term time series forecasting (LTSF). However, as we identified in this work, applying LVMs to LTSF poses an inductive bias towards "forecasting periods". To harness this bias, we propose DMMV, a novel decomposition-based multi-modal view framework that leverages trend-seasonal decomposition and a novel backcast residual based adaptive decomposition to integrate MMVs for LTSF. Comparative evaluations against 14 state-of-the-art (SOTA) models across diverse datasets show that DMMV outperforms single-view and existing multi-modal baselines, achieving the best mean squared error (MSE) on 6 out of 8 benchmark datasets.
Authors: Priya Kasimbeg, Vincent Roulet, Naman Agarwal, Sourabh Medapati, Fabian Pedregosa, Atish Agarwala, George E. Dahl
Abstract: Despite major advances in methodology, hyperparameter tuning remains a crucial (and expensive) part of the development of machine learning systems. Even ignoring architectural choices, deep neural networks have a large number of optimization and regularization hyperparameters that need to be tuned carefully per workload in order to obtain the best results. In a perfect world, training algorithms would not require workload-specific hyperparameter tuning, but would instead have default settings that performed well across many workloads. Recently, there has been a growing literature on optimization methods which attempt to reduce the number of hyperparameters -- particularly the learning rate and its accompanying schedule. Given these developments, how far away is the dream of neural network training algorithms that completely obviate the need for painful tuning? In this paper, we evaluate the potential of learning-rate-free methods as components of hyperparameter-free methods. We freeze their (non-learning rate) hyperparameters to default values, and score their performance using the recently-proposed AlgoPerf: Training Algorithms benchmark. We found that literature-supplied default settings performed poorly on the benchmark, so we performed a search for hyperparameter configurations that performed well across all workloads simultaneously. The best AlgoPerf-calibrated learning-rate-free methods had much improved performance but still lagged slightly behind a similarly calibrated NadamW baseline in overall benchmark score. Our results suggest that there is still much room for improvement for learning-rate-free methods, and that testing against a strong, workload-agnostic baseline is important to improve hyperparameter reduction techniques.
Authors: Bhavya Vasudeva, Jung Whan Lee, Vatsal Sharan, Mahdi Soltanolkotabi
Abstract: Adam is the de facto optimization algorithm for several deep learning applications, but an understanding of its implicit bias and how it differs from other algorithms, particularly standard first-order methods such as (stochastic) gradient descent (GD), remains limited. In practice, neural networks trained with SGD are known to exhibit simplicity bias -- a tendency to find simple solutions. In contrast, we show that Adam is more resistant to such simplicity bias. To demystify this phenomenon, in this paper, we investigate the differences in the implicit biases of Adam and GD when training two-layer ReLU neural networks on a binary classification task involving synthetic data with Gaussian clusters. We find that GD exhibits a simplicity bias, resulting in a linear decision boundary with a suboptimal margin, whereas Adam leads to much richer and more diverse features, producing a nonlinear boundary that is closer to the Bayes' optimal predictor. This richer decision boundary also allows Adam to achieve higher test accuracy both in-distribution and under certain distribution shifts. We theoretically prove these results by analyzing the population gradients. To corroborate our theoretical findings, we present empirical results showing that this property of Adam leads to superior generalization across datasets with spurious correlations where neural networks trained with SGD are known to show simplicity bias and don't generalize well under certain distributional shifts.
Authors: Ziming Zhao, ChengAo Shen, Hanghang Tong, Dongjin Song, Zhigang Deng, Qingsong Wen, Jingchao Ni
Abstract: Transformer-based models have gained increasing attention in time series research, driving interest in Large Language Models (LLMs) and foundation models for time series analysis. As the field moves toward multi-modality, Large Vision Models (LVMs) are emerging as a promising direction. In the past, the effectiveness of Transformer and LLMs in time series has been debated. When it comes to LVMs, a similar question arises: are LVMs truely useful for time series analysis? To address it, we design and conduct the first principled study involving 4 LVMs, 8 imaging methods, 18 datasets and 26 baselines across both high-level (classification) and low-level (forecasting) tasks, with extensive ablation analysis. Our findings indicate LVMs are indeed useful for time series classification but face challenges in forecasting. Although effective, the contemporary best LVM forecasters are limited to specific types of LVMs and imaging methods, exhibit a bias toward forecasting periods, and have limited ability to utilize long look-back windows. We hope our findings could serve as a cornerstone for future research on LVM- and multimodal-based solutions to different time series tasks.
Authors: Bo Wu, Sid Wang, Yunhao Tang, Jia Ding, Eryk Helenowski, Liang Tan, Tengyu Xu, Tushar Gowda, Zhengxing Chen, Chen Zhu, Xiaocheng Tang, Yundi Qian, Beibei Zhu, Rui Hou
Abstract: Reinforcement Learning (RL) has become the most effective post-training approach for improving the capabilities of Large Language Models (LLMs). In practice, because of the high demands on latency and memory, it is particularly challenging to develop an efficient RL framework that reliably manages policy models with hundreds to thousands of billions of parameters. In this paper, we present LlamaRL, a fully distributed, asynchronous RL framework optimized for efficient training of large-scale LLMs with various model sizes (8B, 70B, and 405B parameters) on GPU clusters ranging from a handful to thousands of devices. LlamaRL introduces a streamlined, single-controller architecture built entirely on native PyTorch, enabling modularity, ease of use, and seamless scalability to thousands of GPUs. We also provide a theoretical analysis of LlamaRL's efficiency, including a formal proof that its asynchronous design leads to strict RL speed-up. Empirically, by leveraging best practices such as colocated model offloading, asynchronous off-policy training, and distributed direct memory access for weight synchronization, LlamaRL achieves significant efficiency gains -- up to 10.7x speed-up compared to DeepSpeed-Chat-like systems on a 405B-parameter policy model. Furthermore, the efficiency advantage continues to grow with increasing model scale, demonstrating the framework's suitability for future large-scale RL training.
Authors: Guangtao Zheng, Wenqian Ye, Aidong Zhang
Abstract: Deep neural networks often develop spurious bias, reliance on correlations between non-essential features and classes for predictions. For example, a model may identify objects based on frequently co-occurring backgrounds rather than intrinsic features, resulting in degraded performance on data lacking these correlations. Existing mitigation approaches typically depend on external annotations of spurious correlations, which may be difficult to obtain and are not relevant to the spurious bias in a model. In this paper, we take a step towards self-guided mitigation of spurious bias by proposing NeuronTune, a post hoc method that directly intervenes in a model's internal decision process. Our method probes in a model's latent embedding space to identify and regulate neurons that lead to spurious prediction behaviors. We theoretically justify our approach and show that it brings the model closer to an unbiased one. Unlike previous methods, NeuronTune operates without requiring spurious correlation annotations, making it a practical and effective tool for improving model robustness. Experiments across different architectures and data modalities demonstrate that our method significantly mitigates spurious bias in a self-guided way.
Authors: Elpiniki Maria Lygizou, M\'onika Farsang, Radu Grosu
Abstract: Transformers excel across a large variety of tasks but remain susceptible to corrupted inputs, since standard self-attention treats all query-key interactions uniformly. Inspired by lateral inhibition in biological neural circuits and building on the recent use by the Differential Transformer's use of two parallel softmax subtraction for noise cancellation, we propose Multihead Differential Gated Self-Attention (M-DGSA) that learns per-head input-dependent gating to dynamically suppress attention noise. Each head splits into excitatory and inhibitory branches whose dual softmax maps are fused by a sigmoid gate predicted from the token embedding, yielding a context-aware contrast enhancement. M-DGSA integrates seamlessly into existing Transformer stacks with minimal computational overhead. We evaluate on both vision and language benchmarks, demonstrating consistent robustness gains over vanilla Transformer, Vision Transformer, and Differential Transformer baselines. Our contributions are (i) a novel input-dependent gating mechanism for self-attention grounded in lateral inhibition, (ii) a principled synthesis of biological contrast-enhancement and self-attention theory, and (iii) comprehensive experiments demonstrating noise resilience and cross-domain applicability.
Authors: Yilong Wang, Tianxiang Zhao, Zongyu Wu, Suhang Wang
Abstract: Graph neural networks (GNNs) have shown great ability for node classification on graphs. However, the success of GNNs relies on abundant labeled data, while obtaining high-quality labels is costly and challenging, especially for newly emerging domains. Hence, unsupervised domain adaptation (UDA), which trains a classifier on the labeled source graph and adapts it to the unlabeled target graph, is attracting increasing attention. Various approaches have been proposed to alleviate the distribution shift between the source and target graphs to facilitate the classifier adaptation. However, most of them simply adopt existing UDA techniques developed for independent and identically distributed data to gain domain-invariant node embeddings for graphs, which do not fully consider the graph structure and message-passing mechanism of GNNs during the adaptation and will fail when label distribution shift exists among domains. In this paper, we proposed a novel framework that adopts link prediction to connect nodes between source and target graphs, which can facilitate message-passing between the source and target graphs and augment the target nodes to have ``in-distribution'' neighborhoods with the source domain. This strategy modified the target graph on the input level to reduce its deviation from the source domain in the embedding space and is insensitive to disproportional label distributions across domains. To prevent the loss of discriminative information in the target graph, we further design a novel identity-preserving learning objective, which guides the learning of the edge insertion module together with reconstruction and adaptation losses. Experimental results on real-world datasets demonstrate the effectiveness of our framework.
Authors: Sean Foley, Hong Nguyen, Jihwan Lee, Sudarsana Reddy Kadiri, Dani Byrd, Louis Goldstein, Shrikanth Narayanan
Abstract: Although many previous studies have carried out multimodal learning with real-time MRI data that captures the audio-visual kinematics of the vocal tract during speech, these studies have been limited by their reliance on multi-speaker corpora. This prevents such models from learning a detailed relationship between acoustics and articulation due to considerable cross-speaker variability. In this study, we develop unimodal audio and video models as well as multimodal models for phoneme recognition using a long-form single-speaker MRI corpus, with the goal of disentangling and interpreting the contributions of each modality. Audio and multimodal models show similar performance on different phonetic manner classes but diverge on places of articulation. Interpretation of the models' latent space shows similar encoding of the phonetic space across audio and multimodal models, while the models' attention weights highlight differences in acoustic and articulatory timing for certain phonemes.
Authors: Chris Mingard, Lukas Seier, Niclas G\"oring, Andrei-Vlad Badelita, Charles London, Ard Louis
Abstract: Deep neural networks are renowned for their ability to generalise well across diverse tasks, even when heavily overparameterized. Existing works offer only partial explanations (for example, the NTK-based task-model alignment explanation neglects feature learning). Here, we provide an end-to-end, analytically tractable case study that links a network's inductive prior, its training dynamics including feature learning, and its eventual generalisation. Specifically, we exploit the one-to-one correspondence between depth-2 discrete fully connected networks and disjunctive normal form (DNF) formulas by training on Boolean functions. Under a Monte Carlo learning algorithm, our model exhibits predictable training dynamics and the emergence of interpretable features. This framework allows us to trace, in detail, how inductive bias and feature formation drive generalisation.
Authors: Jiashun Liu, Zihao Wu, Johan Obando-Ceron, Pablo Samuel Castro, Aaron Courville, Ling Pan
Abstract: Deep reinforcement learning (RL) agents frequently suffer from neuronal activity loss, which impairs their ability to adapt to new data and learn continually. A common method to quantify and address this issue is the tau-dormant neuron ratio, which uses activation statistics to measure the expressive ability of neurons. While effective for simple MLP-based agents, this approach loses statistical power in more complex architectures. To address this, we argue that in advanced RL agents, maintaining a neuron's learning capacity, its ability to adapt via gradient updates, is more critical than preserving its expressive ability. Based on this insight, we shift the statistical objective from activations to gradients, and introduce GraMa (Gradient Magnitude Neural Activity Metric), a lightweight, architecture-agnostic metric for quantifying neuron-level learning capacity. We show that GraMa effectively reveals persistent neuron inactivity across diverse architectures, including residual networks, diffusion models, and agents with varied activation functions. Moreover, resetting neurons guided by GraMa (ReGraMa) consistently improves learning performance across multiple deep RL algorithms and benchmarks, such as MuJoCo and the DeepMind Control Suite.
Authors: Yu He, Ellen Vitercik
Abstract: Neural Algorithmic Reasoning (NAR) trains neural networks to simulate classical algorithms, enabling structured and interpretable reasoning over complex data. While prior research has predominantly focused on learning exact algorithms for polynomial-time-solvable problems, extending NAR to harder problems remains an open challenge. In this work, we introduce a general NAR framework grounded in the primal-dual paradigm, a classical method for designing efficient approximation algorithms. By leveraging a bipartite representation between primal and dual variables, we establish an alignment between primal-dual algorithms and Graph Neural Networks. Furthermore, we incorporate optimal solutions from small instances to greatly enhance the model's reasoning capabilities. Our empirical results demonstrate that our model not only simulates but also outperforms approximation algorithms for multiple tasks, exhibiting robust generalization to larger and out-of-distribution graphs. Moreover, we highlight the framework's practical utility by integrating it with commercial solvers and applying it to real-world datasets.
Authors: Yu He, Yingxi Li, Colin White, Ellen Vitercik
Abstract: Large language models (LLMs) are increasingly deployed for real-world tasks that fundamentally involve data manipulation. A core requirement across these tasks is the ability to perform structural reasoning--that is, to understand and reason about data relationships. For example, customer requests require a temporal ordering, which can be represented by data structures such as queues. However, existing benchmarks primarily focus on high-level, application-driven evaluations without isolating this fundamental capability. To address this gap, we introduce DSR-Bench, a novel benchmark evaluating LLMs' structural reasoning capabilities through data structures, which provide interpretable representations of data relationships. DSR-Bench includes 20 data structures, 35 operations, and 4,140 problem instances, organized hierarchically for fine-grained analysis of reasoning limitations. Our evaluation pipeline is fully automated and deterministic, eliminating subjective human or model-based judgments. Its synthetic nature also ensures scalability and minimizes data contamination risks. We benchmark nine state-of-the-art LLMs. Our analysis shows that instruction-tuned models struggle with basic multi-attribute and multi-hop reasoning. Furthermore, while reasoning-oriented models perform better, they remain fragile on complex and hybrid structures, with the best model achieving an average score of only 47% on the challenge subset. Crucially, models often perform poorly on multi-dimensional data and natural language task descriptions, highlighting a critical gap for real-world deployment.
Authors: Alireza Jafari, Fereshteh Yousefirizi, Vahid Seydi
Abstract: Atrial fibrillation (AF) is a prevalent cardiac arrhythmia associated with elevated health risks, where timely detection is pivotal for mitigating stroke-related morbidity. This study introduces an innovative hybrid methodology integrating unsupervised deep learning and gradient boosting models to improve AF detection. A 19-layer deep convolutional autoencoder (DCAE) is coupled with three boosting classifiers-AdaBoost, XGBoost, and LightGBM (LGBM)-to harness their complementary advantages while addressing individual limitations. The proposed framework uniquely combines DCAE with gradient boosting, enabling end-to-end AF identification devoid of manual feature extraction. The DCAE-LGBM model attains an F1-score of 95.20%, sensitivity of 99.99%, and inference latency of four seconds, outperforming existing methods and aligning with clinical deployment requirements. The DCAE integration significantly enhances boosting models, positioning this hybrid system as a reliable tool for automated AF detection in clinical settings.
Authors: Chen Huang, Skyler Seto, Hadi Pouransari, Mehrdad Farajtabar, Raviteja Vemulapalli, Fartash Faghri, Oncel Tuzel, Barry-John Theobald, Josh Susskind
Abstract: Vision foundation models pre-trained on massive data encode rich representations of real-world concepts, which can be adapted to downstream tasks by fine-tuning. However, fine-tuning foundation models on one task often leads to the issue of concept forgetting on other tasks. Recent methods of robust fine-tuning aim to mitigate forgetting of prior knowledge without affecting the fine-tuning performance. Knowledge is often preserved by matching the original and fine-tuned model weights or feature pairs. However, such point-wise matching can be too strong, without explicit awareness of the feature neighborhood structures that encode rich knowledge as well. We propose a novel regularization method Proxy-FDA that explicitly preserves the structural knowledge in feature space. Proxy-FDA performs Feature Distribution Alignment (using nearest neighbor graphs) between the pre-trained and fine-tuned feature spaces, and the alignment is further improved by informative proxies that are generated dynamically to increase data diversity. Experiments show that Proxy-FDA significantly reduces concept forgetting during fine-tuning, and we find a strong correlation between forgetting and a distributional distance metric (in comparison to L2 distance). We further demonstrate Proxy-FDA's benefits in various fine-tuning settings (end-to-end, few-shot and continual tuning) and across different tasks like image classification, captioning and VQA.
Authors: Marcus Lassila, Johan \"Ostman, Khac-Hoang Ngo, Alexandre Graell i Amat
Abstract: We develop practical and theoretically grounded membership inference attacks (MIAs) against both independent and identically distributed (i.i.d.) data and graph-structured data. Building on the Bayesian decision-theoretic framework of Sablayrolles et al., we derive the Bayes-optimal membership inference rule for node-level MIAs against graph neural networks, addressing key open questions about optimal query strategies in the graph setting. We introduce BASE and G-BASE, computationally efficient approximations of the Bayes-optimal attack. G-BASE achieves superior performance compared to previously proposed classifier-based node-level MIA attacks. BASE, which is also applicable to non-graph data, matches or exceeds the performance of prior state-of-the-art MIAs, such as LiRA and RMIA, at a significantly lower computational cost. Finally, we show that BASE and RMIA are equivalent under a specific hyperparameter setting, providing a principled, Bayes-optimal justification for the RMIA attack.
Authors: Zhenran Xu
Abstract: Length of stay (LOS) prediction in acute stroke is critical for improving care planning. Existing machine learning models have shown suboptimal predictive performance, limited generalisability, and have overlooked system-level factors. We aimed to enhance model efficiency, performance, and interpretability by refining predictors and developing an interpretable multi-level stacking ensemble model. Data were accessed from the biennial Stroke Foundation Acute Audit (2015, 2017, 2019, 2021) in Australia. Models were developed for ischaemic and haemorrhagic stroke separately. The outcome was prolonged LOS (the LOS above the 75th percentile). Candidate predictors (ischaemic: n=89; haemorrhagic: n=83) were categorised into patient, clinical, and system domains. Feature selection with correlation-based approaches was used to refine key predictors. The evaluation of models included discrimination (AUC), calibration curves, and interpretability (SHAP plots). In ischaemic stroke (N=12,575), prolonged LOS was >=9 days, compared to >=11 days in haemorrhagic stroke (N=1,970). The ensemble model achieved superior performance [AUC: 0.824 (95% CI: 0.801-0.846)] and statistically outperformed logistic regression [AUC: 0.805 (95% CI: 0.782-0.829); P=0.0004] for ischaemic. However, the model [AUC: 0.843 (95% CI: 0.790-0.895)] did not statistically outperform logistic regression [AUC: 0.828 (95% CI: 0.774-0.882); P=0.136] for haemorrhagic. SHAP analysis identified shared predictors for both types of stroke: rehabilitation assessment, urinary incontinence, stroke unit care, inability to walk independently, physiotherapy, and stroke care coordinators involvement. An explainable ensemble model effectively predicted the prolonged LOS in ischaemic stroke. Further validation in larger cohorts is needed for haemorrhagic stroke.
Authors: Sahil Rajesh Dhayalkar
Abstract: We present a formal and constructive framework establishing the equivalence between nondeterministic finite automata (NFAs) and standard feedforward ReLU neural networks. By encoding automaton states as binary vectors and transitions as sparse linear layers, we show that ReLU activations simulate nondeterministic branching, subset construction, and $\epsilon$-closures in a mathematically precise manner. Our core theoretical results prove that a three-layer ReLU network of width $\mathcal{O}(n)$ can exactly recognize any regular language accepted by an $n$-state NFA-without recurrence, memory, or approximation. Furthermore, we show that gradient descent over structure-preserving networks preserves symbolic semantics and acceptance behavior. Extensive experiments across multiple validation tasks-including parallel path tracking, symbolic subset construction, $\epsilon$-closure convergence, acceptance classification, structural training invariants, and functional equivalence-achieve perfect or near-perfect empirical alignment with ground-truth automata. This work provides the first provably complete symbolic simulation of NFAs within standard deep learning architectures, uniting automata theory with neural computation through ReLU dynamics.
Authors: Yichen Shi, Ze Zhang, Hongyang Wang, Zhuofu Tao, Zhongyi Li, Bingyu Chen, Yaxin Wang, Zhiping Yu, Ting-Jung Lin, Lei He
Abstract: Analog/Mixed-Signal (AMS) circuits play a critical role in the integrated circuit (IC) industry. However, automating Analog/Mixed-Signal (AMS) circuit design has remained a longstanding challenge due to its difficulty and complexity. Recent advances in Multi-modal Large Language Models (MLLMs) offer promising potential for supporting AMS circuit analysis and design. However, current research typically evaluates MLLMs on isolated tasks within the domain, lacking a comprehensive benchmark that systematically assesses model capabilities across diverse AMS-related challenges. To address this gap, we introduce AMSbench, a benchmark suite designed to evaluate MLLM performance across critical tasks including circuit schematic perception, circuit analysis, and circuit design. AMSbench comprises approximately 8000 test questions spanning multiple difficulty levels and assesses eight prominent models, encompassing both open-source and proprietary solutions such as Qwen 2.5-VL and Gemini 2.5 Pro. Our evaluation highlights significant limitations in current MLLMs, particularly in complex multi-modal reasoning and sophisticated circuit design tasks. These results underscore the necessity of advancing MLLMs' understanding and effective application of circuit-specific knowledge, thereby narrowing the existing performance gap relative to human expertise and moving toward fully automated AMS circuit design workflows. Our data is released at https://huggingface.co/datasets/wwhhyy/AMSBench
Authors: Wilfried Genuist, \'Eric Savin, Filippo Gatti, Didier Clouteau
Abstract: Building on recent advances in scientific machine learning and generative modeling for computational fluid dynamics, we propose a conditional score-based diffusion model designed for multi-scenarios fluid flow prediction. Our model integrates an energy constraint rooted in the statistical properties of turbulent flows, improving prediction quality with minimal training, while enabling efficient sampling at low cost. The method features a simple and general architecture that requires no problem-specific design, supports plug-and-play enhancements, and enables fast and flexible solution generation. It also demonstrates an efficient conditioning mechanism that simplifies training across different scenarios without demanding a redesign of existing models. We further explore various stochastic differential equation formulations to demonstrate how thoughtful design choices enhance performance. We validate the proposed methodology through extensive experiments on complex fluid dynamics datasets encompassing a variety of flow regimes and configurations. Results demonstrate that our model consistently achieves stable, robust, and physically faithful predictions, even under challenging turbulent conditions. With properly tuned parameters, it achieves accurate results across multiple scenarios while preserving key physical and statistical properties. We present a comprehensive analysis of stochastic differential equation impact and discuss our approach across diverse fluid mechanics tasks.
Authors: Adam Piaseczny, Md Kamran Chowdhury Shisher, Shiqiang Wang, Christopher G. Brinton
Abstract: Machine learning (ML) algorithms deployed in real-world environments are often faced with the challenge of adapting models to concept drift, where the task data distributions are shifting over time. The problem becomes even more difficult when model performance must be maintained under adherence to strict resource constraints. Existing solutions often depend on drift-detection methods that produce high computational overhead for resource-constrained environments, and fail to provide strict guarantees on resource usage or theoretical performance assurances. To address these shortcomings, we propose RCCDA: a dynamic model update policy that optimizes ML training dynamics while ensuring strict compliance to predefined resource constraints, utilizing only past loss information and a tunable drift threshold. In developing our policy, we analytically characterize the evolution of model loss under concept drift with arbitrary training update decisions. Integrating these results into a Lyapunov drift-plus-penalty framework produces a lightweight policy based on a measurable accumulated loss threshold that provably limits update frequency and cost. Experimental results on three domain generalization datasets demonstrate that our policy outperforms baseline methods in inference accuracy while adhering to strict resource constraints under several schedules of concept drift, making our solution uniquely suited for real-time ML deployments.
Authors: Ehtesamul Azim, Dongjie Wang, Tae Hyun Hwang, Yanjie Fu, Wei Zhang
Abstract: Gene selection in high-dimensional genomic data is essential for understanding disease mechanisms and improving therapeutic outcomes. Traditional feature selection methods effectively identify predictive genes but often ignore complex biological pathways and regulatory networks, leading to unstable and biologically irrelevant signatures. Prior approaches, such as Lasso-based methods and statistical filtering, either focus solely on individual gene-outcome associations or fail to capture pathway-level interactions, presenting a key challenge: how to integrate biological pathway knowledge while maintaining statistical rigor in gene selection? To address this gap, we propose a novel two-stage framework that integrates statistical selection with biological pathway knowledge using multi-agent reinforcement learning (MARL). First, we introduce a pathway-guided pre-filtering strategy that leverages multiple statistical methods alongside KEGG pathway information for initial dimensionality reduction. Next, for refined selection, we model genes as collaborative agents in a MARL framework, where each agent optimizes both predictive power and biological relevance. Our framework incorporates pathway knowledge through Graph Neural Network-based state representations, a reward mechanism combining prediction performance with gene centrality and pathway coverage, and collaborative learning strategies using shared memory and a centralized critic component. Extensive experiments on multiple gene expression datasets demonstrate that our approach significantly improves both prediction accuracy and biological interpretability compared to traditional methods.
Authors: Seungjoon Lee, Suhwan Kim, Minhyeon Oh, Youngsik Yoon, Jungseul Ok
Abstract: Developing autonomous agents capable of mastering complex, multi-step tasks in unpredictable, interactive environments presents a significant challenge. While Large Language Models (LLMs) offer promise for planning, existing approaches often rely on problematic internal knowledge or make unrealistic environmental assumptions. Although recent work explores learning planning knowledge, they still retain limitations due to partial reliance on external knowledge or impractical setups. Indeed, prior research has largely overlooked developing agents capable of acquiring planning knowledge from scratch, directly in realistic settings. While realizing this capability is necessary, it presents significant challenges, primarily achieving robustness given the substantial risk of incorporating LLMs' inaccurate knowledge. Moreover, efficiency is crucial for practicality as learning can demand prohibitive exploration. In response, we introduce Robust and Efficient Planning for Open-world Agents (REPOA), a novel framework designed to tackle these issues. REPOA features three key components: adaptive dependency learning and fine-grained failure-aware operation memory to enhance robustness to knowledge inaccuracies, and difficulty-based exploration to improve learning efficiency. Our evaluation in two established open-world testbeds demonstrates REPOA's robust and efficient planning, showcasing its capability to successfully obtain challenging late-game items that were beyond the reach of prior approaches.
Authors: Katherine Tieu, Dongqi Fu, Jun Wu, Jingrui He
Abstract: In the era of foundation models, Out-of- Distribution (OOD) problems, i.e., the data discrepancy between the training environments and testing environments, hinder AI generalization. Further, relational data like graphs disobeying the Independent and Identically Distributed (IID) condition makes the problem more challenging, especially much harder when it is associated with time. Motivated by this, to realize the robust invariant learning over temporal graphs, we want to investigate what components in temporal graphs are most invariant and representative with respect to labels. With the Information Bottleneck (IB) method, we propose an error-bounded Invariant Link Selector that can distinguish invariant components and variant components during the training process to make the deep learning model generalizable for different testing scenarios. Besides deriving a series of rigorous generalizable optimization functions, we also equip the training with task-specific loss functions, e.g., temporal link prediction, to make pretrained models solve real-world application tasks like citation recommendation and merchandise recommendation, as demonstrated in our experiments with state-of-the-art (SOTA) methods. Our code is available at https://github.com/kthrn22/OOD-Linker.
Authors: Xiaodong Ji, Hailin Zhang, Fangcheng Fu, Bin Cui
Abstract: Many advanced Large Language Model (LLM) applications require long-context processing, but the self-attention module becomes a bottleneck during the prefilling stage of inference due to its quadratic time complexity with respect to sequence length. Existing sparse attention methods accelerate attention computation by skipping less significant regions of the attention map. However, these approaches typically perform coarse-grained inspection of the attention map, rendering considerable loss in model accuracy. In this paper, we propose SALE, a fine-grained sparse attention method that accelerates the long-context prefilling stage of LLM with negligible loss in model accuracy. SALE achieves fast and accurate fine-grained attention weight estimation through 4-bit quantized query-key products, followed by block-sparse attention to accelerate prefilling computations. For importance evaluation for query-key pairs, we adopt our Relative Attention Score metric, which offers significantly higher efficiency within our framework. We implement a custom CUDA kernel optimized for our approach for hardware efficiency, reducing the additional overhead to approximately 11% of the full attention latency. Notably, SALE requires no parameter training and can be seamlessly integrated into existing systems with trivial code modifications. Experiments on long-context benchmarks demonstrate that our method outperforms existing approaches in accuracy-efficiency trade-offs, achieving at least 3.36x speedups on Llama-3.1-8B for sequences longer than 64K while maintaining model quality.
Authors: Yaoyu Zhu, Di Huang, Hanqi Lyu, Xiaoyun Zhang, Chongxiao Li, Wenxuan Shi, Yutong Wu, Jianan Mu, Jinghua Wang, Yang Zhao, Pengwei Jin, Shuyao Cheng, Shengwen Liang, Xishan Zhang, Rui Zhang, Zidong Du, Qi Guo, Xing Hu, Yunji Chen
Abstract: Large language models (LLMs) trained via reinforcement learning with verifiable reward (RLVR) have achieved breakthroughs on tasks with explicit, automatable verification, such as software programming and mathematical problems. Extending RLVR to electronic design automation (EDA), especially automatically generating hardware description languages (HDLs) like Verilog from natural-language (NL) specifications, however, poses three key challenges: the lack of automated and accurate verification environments, the scarcity of high-quality NL-code pairs, and the prohibitive computation cost of RLVR. To this end, we introduce CodeV-R1, an RLVR framework for training Verilog generation LLMs. First, we develop a rule-based testbench generator that performs robust equivalence checking against golden references. Second, we propose a round-trip data synthesis method that pairs open-source Verilog snippets with LLM-generated NL descriptions, verifies code-NL-code consistency via the generated testbench, and filters out inequivalent examples to yield a high-quality dataset. Third, we employ a two-stage "distill-then-RL" training pipeline: distillation for the cold start of reasoning abilities, followed by adaptive DAPO, our novel RLVR algorithm that can reduce training cost by adaptively adjusting sampling rate. The resulting model, CodeV-R1-7B, achieves 68.6% and 72.9% pass@1 on VerilogEval v2 and RTLLM v1.1, respectively, surpassing prior state-of-the-art by 12~20%, while matching or even exceeding the performance of 671B DeepSeek-R1. We will release our model, training pipeline, and dataset to facilitate research in EDA and LLM communities.
Authors: Yipan Wei, Yuchen Zou, Yapeng Li, Bo Du
Abstract: Federated Multi-Task Learning (FMTL) enables multiple clients performing heterogeneous tasks without exchanging their local data, offering broad potential for privacy preserving multi-task collaboration. However, most existing methods focus on building personalized models for each client and unable to support the aggregation of multiple heterogeneous tasks into a unified model. As a result, in real-world scenarios where task objectives, label spaces, and optimization paths vary significantly, conventional FMTL methods struggle to achieve effective joint training. To address this challenge, we propose FedDEA (Federated Decoupled Aggregation), an update-structure-aware aggregation method specifically designed for multi-task model integration. Our method dynamically identifies task-relevant dimensions based on the response strength of local updates and enhances their optimization effectiveness through rescaling. This mechanism effectively suppresses cross-task interference and enables task-level decoupled aggregation within a unified global model. FedDEA does not rely on task labels or architectural modifications, making it broadly applicable and deployment-friendly. Experimental results demonstrate that it can be easily integrated into various mainstream federated optimization algorithms and consistently delivers significant overall performance improvements on widely used NYUD-V2 and PASCAL-Context. These results validate the robustness and generalization capabilities of FedDEA under highly heterogeneous task settings.
Authors: Orlando Marquez Ayala, Patrice Bechard, Emily Chen, Maggie Baird, Jingfei Chen
Abstract: Large Language Models (LLMs) such as GPT-4o can handle a wide range of complex tasks with the right prompt. As per token costs are reduced, the advantages of fine-tuning Small Language Models (SLMs) for real-world applications -- faster inference, lower costs -- may no longer be clear. In this work, we present evidence that, for domain-specific tasks that require structured outputs, SLMs still have a quality advantage. We compare fine-tuning an SLM against prompting LLMs on the task of generating low-code workflows in JSON form. We observe that while a good prompt can yield reasonable results, fine-tuning improves quality by 10% on average. We also perform systematic error analysis to reveal model limitations.
Authors: Lan-Cuong Nguyen, Quan Nguyen-Tri, Bang Tran Khanh, Dung D. Le, Long Tran-Thanh, Khoat Than
Abstract: Few-shot image classification remains challenging due to the scarcity of labeled training examples. Augmenting them with synthetic data has emerged as a promising way to alleviate this issue, but models trained on synthetic samples often face performance degradation due to the inherent gap between real and synthetic distributions. To address this limitation, we develop a theoretical framework that quantifies the impact of such distribution discrepancies on supervised learning, specifically in the context of image classification. More importantly, our framework suggests practical ways to generate good synthetic samples and to train a predictor with high generalization ability. Building upon this framework, we propose a novel theoretical-based algorithm that integrates prototype learning to optimize both data partitioning and model training, effectively bridging the gap between real few-shot data and synthetic data. Extensive experiments results show that our approach demonstrates superior performance compared to state-of-the-art methods, outperforming them across multiple datasets.
Authors: Ofir Schlisselberg, Tal Lancewicki, Peter Auer, Yishay Mansour
Abstract: We study the multi-armed bandit problem with adversarially chosen delays in the Best-of-Both-Worlds (BoBW) framework, which aims to achieve near-optimal performance in both stochastic and adversarial environments. While prior work has made progress toward this goal, existing algorithms suffer from significant gaps to the known lower bounds, especially in the stochastic settings. Our main contribution is a new algorithm that, up to logarithmic factors, matches the known lower bounds in each setting individually. In the adversarial case, our algorithm achieves regret of $\widetilde{O}(\sqrt{KT} + \sqrt{D})$, which is optimal up to logarithmic terms, where $T$ is the number of rounds, $K$ is the number of arms, and $D$ is the cumulative delay. In the stochastic case, we provide a regret bound which scale as $\sum_{i:\Delta_i>0}\left(\log T/\Delta_i\right) + \frac{1}{K}\sum \Delta_i \sigma_{max}$, where $\Delta_i$ is the sub-optimality gap of arm $i$ and $\sigma_{\max}$ is the maximum number of missing observations. To the best of our knowledge, this is the first BoBW algorithm to simultaneously match the lower bounds in both stochastic and adversarial regimes in delayed environment. Moreover, even beyond the BoBW setting, our stochastic regret bound is the first to match the known lower bound under adversarial delays, improving the second term over the best known result by a factor of $K$.
Authors: Mingze Wang, Weinan E
Abstract: Mixture-of-experts networks (MoEs) have demonstrated remarkable efficiency in modern deep learning. Despite their empirical success, the theoretical foundations underlying their ability to model complex tasks remain poorly understood. In this work, we conduct a systematic study of the expressive power of MoEs in modeling complex tasks with two common structural priors: low-dimensionality and sparsity. For shallow MoEs, we prove that they can efficiently approximate functions supported on low-dimensional manifolds, overcoming the curse of dimensionality. For deep MoEs, we show that $\cO(L)$-layer MoEs with $E$ experts per layer can approximate piecewise functions comprising $E^L$ pieces with compositional sparsity, i.e., they can exhibit an exponential number of structured tasks. Our analysis reveals the roles of critical architectural components and hyperparameters in MoEs, including the gating mechanism, expert networks, the number of experts, and the number of layers, and offers natural suggestions for MoE variants.
Authors: Md Shahnawaz, Bishwajit Prasad Gond, Durga Prasad Mohapatra
Abstract: Malware detection and classification remains a topic of concern for cybersecurity, since it is becoming common for attackers to use advanced obfuscation on their malware to stay undetected. Conventional static analysis is not effective against polymorphic and metamorphic malware as these change their appearance without modifying their behavior, thus defying the analysis by code structure alone. This makes it important to use dynamic detection that monitors malware behavior at runtime. In this paper, we present a dynamic malware categorization framework that extracts API argument calls at the runtime execution of Windows Portable Executable (PE) files. Extracting and encoding the dynamic features of API names, argument return values, and other relative features, we convert raw behavioral data to temporal patterns. To enhance feature portrayal, the generated patterns are subsequently converted into grayscale pictures using a magma colormap. These improved photos are used to teach a Convolutional Neural Network (CNN) model discriminative features, which allows for reliable and accurate malware classification. Results from experiments indicate that our method, with an average accuracy of 98.36% is effective in classifying different classes of malware and benign by integrating dynamic analysis and deep learning. It not only achieves high classification accuracy but also demonstrates significant resilience against typical evasion strategies.
Authors: Joohwan Ko, Justin Domke
Abstract: Variational inference often struggles with the posterior geometry exhibited by complex hierarchical Bayesian models. Recent advances in flow-based variational families and Variationally Inferred Parameters (VIP) each address aspects of this challenge, but their formal relationship is unexplored. Here, we prove that the combination of VIP and a full-rank Gaussian can be represented exactly as a forward autoregressive flow augmented with a translation term and input from the model's prior. Guided by this theoretical insight, we introduce the Model-Informed Flow (MIF) architecture, which adds the necessary translation mechanism, prior information, and hierarchical ordering. Empirically, MIF delivers tighter posterior approximations and matches or exceeds state-of-the-art performance across a suite of hierarchical and non-hierarchical benchmarks.
Authors: Zheng Wang, Wanhao Yu, Li Yang, Sen Lin
Abstract: Continual Learning (CL) seeks to build an agent that can continuously learn a sequence of tasks, where a key challenge, namely Catastrophic Forgetting, persists due to the potential knowledge interference among different tasks. On the other hand, deep neural networks (DNNs) are shown to converge to a terminal state termed Neural Collapse during training, where all class prototypes geometrically form a static simplex equiangular tight frame (ETF). These maximally and equally separated class prototypes make the ETF an ideal target for model learning in CL to mitigate knowledge interference. Thus inspired, several studies have emerged very recently to leverage a fixed global ETF in CL, which however suffers from key drawbacks, such as impracticability and limited performance.To address these challenges and fully unlock the potential of ETF in CL, we propose Progressive Neural Collapse (ProNC), a novel framework that completely removes the need of a fixed global ETF in CL. Specifically, ProNC progressively expands the ETF target in a principled way by adding new class prototypes as vertices for new tasks, ensuring maximal separability across all encountered classes with minimal shifts from the previous ETF. We next develop a new CL framework by plugging ProNC into commonly used CL algorithm designs, where distillation is further leveraged to balance between target shifting for old classes and target aligning for new classes. Extensive experiments show that our approach significantly outperforms related baselines while maintaining superior flexibility, simplicity, and efficiency.
Authors: Weiyi Wang, Junwei Deng, Yuzheng Hu, Shiyuan Zhang, Xirui Jiang, Runting Zhang, Han Zhao, Jiaqi W. Ma
Abstract: Data attribution methods, which quantify the influence of individual training data points on a machine learning model, have gained increasing popularity in data-centric applications in modern AI. Despite a recent surge of new methods developed in this space, the impact of hyperparameter tuning in these methods remains under-explored. In this work, we present the first large-scale empirical study to understand the hyperparameter sensitivity of common data attribution methods. Our results show that most methods are indeed sensitive to certain key hyperparameters. However, unlike typical machine learning algorithms -- whose hyperparameters can be tuned using computationally-cheap validation metrics -- evaluating data attribution performance often requires retraining models on subsets of training data, making such metrics prohibitively costly for hyperparameter tuning. This poses a critical open challenge for the practical application of data attribution methods. To address this challenge, we advocate for better theoretical understandings of hyperparameter behavior to inform efficient tuning strategies. As a case study, we provide a theoretical analysis of the regularization term that is critical in many variants of influence function methods. Building on this analysis, we propose a lightweight procedure for selecting the regularization value without model retraining, and validate its effectiveness across a range of standard data attribution benchmarks. Overall, our study identifies a fundamental yet overlooked challenge in the practical application of data attribution, and highlights the importance of careful discussion on hyperparameter selection in future method development.
Authors: Hiroki Naganuma, Kotaro Yoshida, Laura Gomezjurado Gonzalez, Takafumi Horie, Yuji Naraki, Ryotaro Shimizu
Abstract: Model editing techniques, particularly task arithmetic using task vectors, have shown promise in efficiently modifying pre-trained models through arithmetic operations like task addition and negation. Despite computational advantages, these methods may inadvertently affect model fairness, creating risks in sensitive applications like hate speech detection. However, the fairness implications of task arithmetic remain largely unexplored, presenting a critical gap in the existing literature. We systematically examine how manipulating task vectors affects fairness metrics, including Demographic Parity and Equalized Odds. To rigorously assess these effects, we benchmark task arithmetic against full fine-tuning, a costly but widely used baseline, and Low-Rank Adaptation (LoRA), a prevalent parameter-efficient fine-tuning method. Additionally, we explore merging task vectors from models fine-tuned on demographic subgroups vulnerable to hate speech, investigating whether fairness outcomes can be controlled by adjusting task vector coefficients, potentially enabling tailored model behavior. Our results offer novel insights into the fairness implications of model editing and establish a foundation for fairness-aware and responsible model editing practices.
Authors: Mingze Wang, Jinbo Wang, Jiaqi Zhang, Wei Wang, Peng Pei, Xunliang Cai, Weinan E, Lei Wu
Abstract: We propose GradPower, a lightweight gradient-transformation technique for accelerating language model pre-training. Given a gradient vector $g=(g_i)_i$, GradPower first applies the elementwise sign-power transformation: $\varphi_p(g)=({\rm sign}(g_i)|g_i|^p)_{i}$ for a fixed $p>0$, and then feeds the transformed gradient into a base optimizer. Notably, GradPower requires only a single-line code change and no modifications to the base optimizer's internal logic, including the hyperparameters. When applied to Adam (termed AdamPower), GradPower consistently achieves lower terminal loss across diverse architectures (LLaMA, Qwen2MoE), parameter scales (66M to 2B), datasets (C4, OpenWebText), and learning-rate schedules (cosine, warmup-stable-decay). The most pronounced gains are observed when training modern mixture-of-experts models with warmup-stable-decay schedules. GradPower also integrates seamlessly with other state-of-the-art optimizers, such as Muon, yielding further improvements. Finally, we provide theoretical analyses that reveal the underlying mechanism of GradPower and highlights the influence of gradient noise.
Authors: James R. Golden
Abstract: We demonstrate that the inference operations of several open-weight large language models (LLMs) can be mapped to an exactly equivalent linear system for an input sequence without modifying the model weights or altering output predictions. Extending techniques from image diffusion models that exhibit local or piecewise linearity, we strategically alter the gradient computation with respect to a given input sequence for a next-token prediction such that the Jacobian of the model nearly exactly reproduces the forward prediction with a linear system. We demonstrate this approach across models (Llama 3, Gemma 3, Qwen 3, Phi 4, Mistral Ministral and OLMo 2, up to Llama 3.3 70B Q4) and show through the singular value decomposition of the detached Jacobian that these LLMs operate in extremely low-dimensional subspaces where many of the largest singular vectors decode to concepts related to the most-likely output token. This approach also allows us to examine the operation of each successive layer (and its attention and MLP components) as nearly-exact linear systems and observe the emergence of semantic concepts. Despite their expressive power and global nonlinearity, modern LLMs can be interpreted through nearly-exact locally linear decompositions that provide insights into their internal representations and reveal interpretable semantic structures in the next-token prediction process.
Authors: Wei Fu, Jiaxuan Gao, Xujie Shen, Chen Zhu, Zhiyu Mei, Chuyi He, Shusheng Xu, Guo Wei, Jun Mei, Jiashu Wang, Tongkai Yang, Binhang Yuan, Yi Wu
Abstract: Reinforcement learning (RL) has become a trending paradigm for training large language models (LLMs), particularly for reasoning tasks. Effective RL for LLMs requires massive parallelization and poses an urgent need for efficient training systems. Most existing large-scale RL systems for LLMs are synchronous by alternating generation and training in a batch setting, where the rollouts in each training batch are generated by the same (or latest) model. This stabilizes RL training but suffers from severe system-level inefficiency. Generation must wait until the longest output in the batch is completed before model update, resulting in GPU underutilization. We present AReaL, a \emph{fully asynchronous} RL system that completely decouples generation from training. Rollout workers in AReaL continuously generate new outputs without waiting, while training workers update the model whenever a batch of data is collected. AReaL also incorporates a collection of system-level optimizations, leading to substantially higher GPU utilization. To stabilize RL training, AReaL balances the workload of rollout and training workers to control data staleness, and adopts a staleness-enhanced PPO variant to better handle outdated training samples. Extensive experiments on math and code reasoning benchmarks show that AReaL achieves \textbf{up to 2.57$\times$ training speedup} compared to the best synchronous systems with the same number of GPUs and matched or even improved final performance. The code of AReaL is available at https://github.com/inclusionAI/AReaL/.
Authors: Gengze Xu, Wei Yao, Ziqiao Wang, Yong Liu
Abstract: Weak-to-strong generalization (W2SG) refers to the phenomenon where a strong student model, trained on a dataset labeled by a weak teacher, ultimately outperforms the teacher on the target task. Recent studies attribute this performance gain to the prediction misfit between the student and teacher models. In this work, we theoretically investigate the emergence of W2SG through a generalized bias-variance decomposition of Bregman divergence. Specifically, we show that the expected population risk gap between the student and teacher is quantified by the expected misfit between the two models. While this aligns with previous results, our analysis removes several restrictive assumptions, most notably, the convexity of the student's hypothesis class, required in earlier works. Moreover, we show that W2SG is more likely to emerge when the student model approximates its posterior mean teacher, rather than mimicking an individual teacher. Using a concrete example, we demonstrate that if the student model has significantly larger capacity than the teacher, it can indeed converge to this posterior mean. Our analysis also suggests that avoiding overfitting to the teacher's supervision and reducing the entropy of student's prediction further facilitate W2SG. In addition, we show that the reverse cross-entropy loss, unlike the standard forward cross-entropy, is less sensitive to the predictive uncertainty of the teacher. Finally, we empirically verify our theoretical insights and demonstrate that incorporating the reverse cross-entropy loss consistently improves student performance.
Authors: Yongming Chen, Miner Chen, Liewen Liao, Mingyang Jiang, Xiang Zuo, Hengrui Zhang, Yuchen Xi, Songan Zhang
Abstract: Reinforcement learning (RL) in autonomous driving employs a trial-and-error mechanism, enhancing robustness in unpredictable environments. However, crafting effective reward functions remains challenging, as conventional approaches rely heavily on manual design and demonstrate limited efficacy in complex scenarios. To address this issue, this study introduces a responsibility-oriented reward function that explicitly incorporates traffic regulations into the RL framework. Specifically, we introduced a Traffic Regulation Knowledge Graph and leveraged Vision-Language Models alongside Retrieval-Augmented Generation techniques to automate reward assignment. This integration guides agents to adhere strictly to traffic laws, thus minimizing rule violations and optimizing decision-making performance in diverse driving conditions. Experimental validations demonstrate that the proposed methodology significantly improves the accuracy of assigning accident responsibilities and effectively reduces the agent's liability in traffic incidents.
Authors: Ivan Petrukha, Yana Kurliak, Nataliia Stulova
Abstract: In recent years, large language models (LLMs) have showcased significant advancements in code generation. However, most evaluation benchmarks are primarily oriented towards Python, making it difficult to evaluate other programming languages, such as Swift, with high quality. By examining widely established multilingual benchmarks like HumanEval-XL and MultiPL-E, we identified critical issues specific to their Swift components, making them insufficient or even irrelevant for assessing LLM coding capabilities on Swift. Unlike these existing approaches, which prioritize rapid scaling and generalization by automatically translating Python-centric benchmarks with LLMs, we adopt a quality-over-quantity methodology. We present SwiftEval, the first Swift-oriented benchmark consisting of 28 carefully hand-crafted problems, and evaluate 44 popular Code LLMs on it. Our results show significant LLM scores drop for problems requiring language-specific features, most noticeable in the models of smaller sizes.
Authors: Federico Milanesio, Matteo Santoro, Pietro G. Fr\'e, Guido Sanguinetti
Abstract: Hyperbolic deep learning leverages the metric properties of hyperbolic spaces to develop efficient and informative embeddings of hierarchical data. Here, we focus on the solvable group structure of hyperbolic spaces, which follows naturally from their construction as symmetric spaces. This dual nature of Lie group and Riemannian manifold allows us to propose a new class of hyperbolic deep learning algorithms where group homomorphisms are interleaved with metric-preserving diffeomorphisms. The resulting algorithms, which we call Cartan networks, show promising results on various benchmark data sets and open the way to a novel class of hyperbolic deep learning architectures.
Authors: Xianglong Yan, Zhiteng Li, Tianao Zhang, Linghe Kong, Yulun Zhang, Xiaokang Yang
Abstract: Large language models (LLMs) have achieved remarkable performance, yet their capability on long-context reasoning is often constrained by the excessive memory required to store the Key-Value (KV) cache. This makes KV cache compression an essential step toward enabling efficient long-context reasoning. Recent methods have explored reducing the hidden dimensions of the KV cache, but many introduce additional computation through projection layers or suffer from significant performance degradation under high compression ratios. To address these challenges, we propose ReCalKV, a post-training KV cache compression method that reduces the hidden dimensions of the KV cache. We develop distinct compression strategies for Keys and Values based on their different roles and varying importance in the attention mechanism. For Keys, we propose Head-wise Similarity-aware Reordering (HSR), which clusters similar heads and applies grouped SVD to the key projection matrix, reducing additional computation while preserving accuracy. For Values, we propose Offline Calibration and Matrix Fusion (OCMF) to preserve accuracy without extra computational overhead. Experiments show that ReCalKV outperforms existing low-rank compression methods, achieving high compression ratios with minimal performance loss. Code is available at: https://github.com/XIANGLONGYAN/ReCalKV.
Authors: Stepan Shabalin, Ayush Panda, Dmitrii Kharlapenko, Abdur Raheem Ali, Yixiong Hao, Arthur Conmy
Abstract: Sparse autoencoders are a promising new approach for decomposing language model activations for interpretation and control. They have been applied successfully to vision transformer image encoders and to small-scale diffusion models. Inference-Time Decomposition of Activations (ITDA) is a recently proposed variant of dictionary learning that takes the dictionary to be a set of data points from the activation distribution and reconstructs them with gradient pursuit. We apply Sparse Autoencoders (SAEs) and ITDA to a large text-to-image diffusion model, Flux 1, and consider the interpretability of embeddings of both by introducing a visual automated interpretation pipeline. We find that SAEs accurately reconstruct residual stream embeddings and beat MLP neurons on interpretability. We are able to use SAE features to steer image generation through activation addition. We find that ITDA has comparable interpretability to SAEs.
Authors: Vardhan Shorewala, Shivam Shorewala
Abstract: This paper introduces a unified approach to cluster refinement and anomaly detection in datasets. We propose a novel algorithm that iteratively reduces the intra-cluster variance of N clusters until a global minimum is reached, yielding tighter clusters than the standard k-means algorithm. We evaluate the method using intrinsic measures for unsupervised learning, including the silhouette coefficient, Calinski-Harabasz index, and Davies-Bouldin index, and extend it to anomaly detection by identifying points whose assignment causes a significant variance increase. External validation on synthetic data and the UCI Breast Cancer and UCI Wine Quality datasets employs the Jaccard similarity score, V-measure, and F1 score. Results show variance reductions of 18.7% and 88.1% on the synthetic and Wine Quality datasets, respectively, along with accuracy and F1 score improvements of 22.5% and 20.8% on the Wine Quality dataset.
Authors: Yuanfu Wang, Pengyu Wang, Chenyang Xi, Bo Tang, Junyi Zhu, Wenqiang Wei, Chen Chen, Chao Yang, Jingfeng Zhang, Chaochao Lu, Yijun Niu, Keming Mao, Zhiyu Li, Feiyu Xiong, Jie Hu, Mingchuan Yang
Abstract: Modern language models often rely on Reinforcement Learning from Human Feedback (RLHF) to encourage safe behaviors. However, they remain vulnerable to adversarial attacks due to three key limitations: (1) the inefficiency and high cost of human annotation, (2) the vast diversity of potential adversarial attacks, and (3) the risk of feedback bias and reward hacking. To address these challenges, we introduce Adversarial Preference Learning (APL), an iterative adversarial training method incorporating three key innovations. First, a direct harmfulness metric based on the model's intrinsic preference probabilities, eliminating reliance on external assessment. Second, a conditional generative attacker that synthesizes input-specific adversarial variations. Third, an iterative framework with automated closed-loop feedback, enabling continuous adaptation through vulnerability discovery and mitigation. Experiments on Mistral-7B-Instruct-v0.3 demonstrate that APL significantly enhances robustness, achieving 83.33% harmlessness win rate over the base model (evaluated by GPT-4o), reducing harmful outputs from 5.88% to 0.43% (measured by LLaMA-Guard), and lowering attack success rate by up to 65% according to HarmBench. Notably, APL maintains competitive utility, with an MT-Bench score of 6.59 (comparable to the baseline 6.78) and an LC-WinRate of 46.52% against the base model.
Authors: Yilun Kong, Guozheng Ma, Qi Zhao, Haoyu Wang, Li Shen, Xueqian Wang, Dacheng Tao
Abstract: Despite recent advancements in offline multi-task reinforcement learning (MTRL) have harnessed the powerful capabilities of the Transformer architecture, most approaches focus on a limited number of tasks, with scaling to extremely massive tasks remaining a formidable challenge. In this paper, we first revisit the key impact of task numbers on current MTRL method, and further reveal that naively expanding the parameters proves insufficient to counteract the performance degradation as the number of tasks escalates. Building upon these insights, we propose M3DT, a novel mixture-of-experts (MoE) framework that tackles task scalability by further unlocking the model's parameter scalability. Specifically, we enhance both the architecture and the optimization of the agent, where we strengthen the Decision Transformer (DT) backbone with MoE to reduce task load on parameter subsets, and introduce a three-stage training mechanism to facilitate efficient training with optimal performance. Experimental results show that, by increasing the number of experts, M3DT not only consistently enhances its performance as model expansion on the fixed task numbers, but also exhibits remarkable task scalability, successfully extending to 160 tasks with superior performance.
Authors: Xiaoyu Wu, Yifei Pang, Terrance Liu, Zhiwei Steven Wu
Abstract: Large language models are typically trained on datasets collected from the web, which may inadvertently contain harmful or sensitive personal information. To address growing privacy concerns, unlearning methods have been proposed to remove the influence of specific data from trained models. Of these, exact unlearning -- which retrains the model from scratch without the target data -- is widely regarded the gold standard, believed to be robust against privacy-related attacks. In this paper, we challenge this assumption by introducing a novel data extraction attack that compromises even exact unlearning. Our method leverages both the pre- and post-unlearning models: by guiding the post-unlearning model using signals from the pre-unlearning model, we uncover patterns that reflect the removed data distribution. Combining model guidance with a token filtering strategy, our attack significantly improves extraction success rates -- doubling performance in some cases -- across common benchmarks such as MUSE, TOFU, and WMDP. Furthermore, we demonstrate our attack's effectiveness on a simulated medical diagnosis dataset to highlight real-world privacy risks associated with exact unlearning. In light of our findings, which suggest that unlearning may, in a contradictory way, increase the risk of privacy leakage, we advocate for evaluation of unlearning methods to consider broader threat models that account not only for post-unlearning models but also for adversarial access to prior checkpoints.
Authors: Yifei Cheng, Li Shen, Hao Sun, Nan Yin, Xiaochun Cao, Enhong Chen
Abstract: Sharpness-Aware Minimization (SAM) optimizer enhances the generalization ability of the machine learning model by exploring the flat minima landscape through weight perturbations. Despite its empirical success, SAM introduces an additional hyper-parameter, the perturbation radius, which causes the sensitivity of SAM to it. Moreover, it has been proved that the perturbation radius and learning rate of SAM are constrained by problem-dependent parameters to guarantee convergence. These limitations indicate the requirement of parameter-tuning in practical applications. In this paper, we propose the algorithm LightSAM which sets the perturbation radius and learning rate of SAM adaptively, thus extending the application scope of SAM. LightSAM employs three popular adaptive optimizers, including AdaGrad-Norm, AdaGrad and Adam, to replace the SGD optimizer for weight perturbation and model updating, reducing sensitivity to parameters. Theoretical results show that under weak assumptions, LightSAM could converge ideally with any choices of perturbation radius and learning rate, thus achieving parameter-agnostic. We conduct preliminary experiments on several deep learning tasks, which together with the theoretical findings validate the the effectiveness of LightSAM.
Authors: Giannis Nikolentzos, Konstantinos Skianis
Abstract: The Lipschitz constant of a neural network is connected to several important properties of the network such as its robustness and generalization. It is thus useful in many settings to estimate the Lipschitz constant of a model. Prior work has focused mainly on estimating the Lipschitz constant of multi-layer perceptrons and convolutional neural networks. Here we focus on data modeled as sets or multisets of vectors and on neural networks that can handle such data. These models typically apply some permutation invariant aggregation function, such as the sum, mean or max operator, to the input multisets to produce a single vector for each input sample. In this paper, we investigate whether these aggregation functions are Lipschitz continuous with respect to three distance functions for unordered multisets, and we compute their Lipschitz constants. In the general case, we find that each aggregation function is Lipschitz continuous with respect to only one of the three distance functions. Then, we build on these results to derive upper bounds on the Lipschitz constant of neural networks that can process multisets of vectors, while we also study their stability to perturbations and generalization under distribution shifts. To empirically verify our theoretical analysis, we conduct a series of experiments on datasets from different domains.
Authors: Yang Sui, Qi Xu, Yang Bai, Annie Qu
Abstract: Multi-task learning (MTL) has emerged as an imperative machine learning tool to solve multiple learning tasks simultaneously and has been successfully applied to healthcare, marketing, and biomedical fields. However, in order to borrow information across different tasks effectively, it is essential to utilize both homogeneous and heterogeneous information. Among the extensive literature on MTL, various forms of heterogeneity are presented in MTL problems, such as block-wise, distribution, and posterior heterogeneity. Existing methods, however, struggle to tackle these forms of heterogeneity simultaneously in a unified framework. In this paper, we propose a two-step learning strategy for MTL which addresses the aforementioned heterogeneity. First, we impute the missing blocks using shared representations extracted from homogeneous source across different tasks. Next, we disentangle the mappings between input features and responses into a shared component and a task-specific component, respectively, thereby enabling information borrowing through the shared component. Our numerical experiments and real-data analysis from the ADNI database demonstrate the superior MTL performance of the proposed method compared to other competing methods.
Authors: Andreas Spilz, Heiko Oppel, Michael Munz
Abstract: Automated evaluation of movement quality holds significant potential for enhancing physiotherapeutic treatments and sports training by providing objective, real-time feedback. However, the effectiveness of deep learning models in assessing movements captured by inertial measurement units (IMUs) is often hampered by limited data availability, class imbalance, and label ambiguity. In this work, we present a novel data augmentation method that generates realistic IMU data using musculoskeletal simulations integrated with systematic modifications of movement trajectories. Crucially, our approach ensures biomechanical plausibility and allows for automatic, reliable labeling by combining inverse kinematic parameters with a knowledge-based evaluation strategy. Extensive evaluations demonstrate that augmented variants closely resembles real-world data, significantly improving the classification accuracy and generalization capability of neural network models. Additionally, we highlight the benefits of augmented data for patient-specific fine-tuning scenarios, particularly when only limited subject-specific training examples are available. Our findings underline the practicality and efficacy of this augmentation method in overcoming common challenges faced by deep learning applications in physiotherapeutic exercise evaluation.
Authors: Amit Peleg, Naman Deep Singh, Matthias Hein
Abstract: Vision-language models like CLIP have demonstrated remarkable zero-shot capabilities in classification and retrieval. However, these models often struggle with compositional reasoning - the ability to understand the relationships between concepts. A recent benchmark, SugarCrepe++, reveals that previous works on improving compositionality have mainly improved lexical sensitivity but neglected semantic understanding. In addition, downstream retrieval performance often deteriorates, although one would expect that improving compositionality should enhance retrieval. In this work, we introduce CLIC (Compositionally-aware Learning in CLIP), a fine-tuning method based on a novel training technique combining multiple images and their associated captions. CLIC improves compositionality across architectures as well as differently pre-trained CLIP models, both in terms of lexical and semantic understanding, and achieves consistent gains in retrieval performance. This even applies to the recent CLIPS, which achieves SOTA retrieval performance. Nevertheless, the short fine-tuning with CLIC leads to an improvement in retrieval and to the best compositional CLIP model on SugarCrepe++. All our models and code are available at https://clic-compositional-clip.github.io
Authors: Md Shahriar Rahim Siddiqui, Moshe Eliasof, Eldad Haber
Abstract: Flow matching casts sample generation as learning a continuous-time velocity field that transports noise to data. Existing flow matching networks typically predict each point's velocity independently, considering only its location and time along its flow trajectory, and ignoring neighboring points. However, this pointwise approach may overlook correlations between points along the generation trajectory that could enhance velocity predictions, thereby improving downstream generation quality. To address this, we propose Graph Flow Matching (GFM), a lightweight enhancement that decomposes the learned velocity into a reaction term -- any standard flow matching network -- and a diffusion term that aggregates neighbor information via a graph neural module. This reaction-diffusion formulation retains the scalability of deep flow models while enriching velocity predictions with local context, all at minimal additional computational cost. Operating in the latent space of a pretrained variational autoencoder, GFM consistently improves Fr\'echet Inception Distance (FID) and recall across five image generation benchmarks (LSUN Church, LSUN Bedroom, FFHQ, AFHQ-Cat, and CelebA-HQ at $256\times256$), demonstrating its effectiveness as a modular enhancement to existing flow matching architectures.
Authors: Franziska Heeg, Jonas Sauer, Petra Mutzel, Ingo Scholtes
Abstract: An important characteristic of temporal graphs is how the directed arrow of time influences their causal topology, i.e., which nodes can possibly influence each other causally via time-respecting paths. The resulting patterns are often neglected by temporal graph neural networks (TGNNs). To formally analyze the expressive power of TGNNs, we lack a generalization of graph isomorphism to temporal graphs that fully captures their causal topology. Addressing this gap, we introduce the notion of consistent event graph isomorphism, which utilizes a time-unfolded representation of time-respecting paths in temporal graphs. We compare this definition with existing notions of temporal graph isomorphisms. We illustrate and highlight the advantages of our approach and develop a temporal generalization of the Weisfeiler-Leman algorithm to heuristically distinguish non-isomorphic temporal graphs. Building on this theoretical foundation, we derive a novel message passing scheme for temporal graph neural networks that operates on the event graph representation of temporal graphs. An experimental evaluation shows that our approach performs well in a temporal graph classification experiment.
Authors: Xin Chen, Yarden As, Andreas Krause
Abstract: Large language models (LLMs) have emerged as powerful tools but pose significant safety risks through harmful outputs and vulnerability to adversarial attacks. We propose SaP, short for Safety Polytope, a geometric approach to LLM safety that learns and enforces multiple safety constraints directly in the model's representation space. We develop a framework that identifies safe and unsafe regions via the polytope's facets, enabling both detection and correction of unsafe outputs through geometric steering. Unlike existing approaches that modify model weights, SaP operates post-hoc in the representation space, preserving model capabilities while enforcing safety constraints. Experiments across multiple LLMs demonstrate that our method can effectively detect unethical inputs, reduce adversarial attack success rates while maintaining performance on standard tasks, thus highlighting the importance of having an explicit geometric model for safety. Analysis of the learned polytope facets reveals emergence of specialization in detecting different semantic notions of safety, providing interpretable insights into how safety is captured in LLMs' representation space.
Authors: Anda Tang, Yiming Dong, Yutao Zeng, zhou Xun, Zhouchen Lin
Abstract: The expanding computational costs and limited resources underscore the critical need for budgeted-iteration training, which aims to achieve optimal learning within predetermined iteration budgets.While learning rate schedules fundamentally govern the performance of different networks and tasks, particularly in budgeted-iteration scenarios, their design remains largely heuristic, lacking theoretical foundations.In addition, the optimal learning rate schedule requires extensive trial-and-error selection, making the training process inefficient.In this work, we propose the Unified Budget-Aware (UBA) schedule, a theoretically grounded learning rate schedule that consistently outperforms commonly-used schedules among diverse architectures and tasks under different constrained training budgets.First, we bridge the gap by constructing a novel training budget-aware optimization framework, which explicitly accounts for the robustness to landscape curvature variations.From this framework, we derive the UBA schedule, controlled by a single hyper-parameter $\varphi$ that provides a trade-off between flexibility and simplicity, eliminating the need for per-network numerical optimization. Moreover, we establish a theoretical connection between $\varphi$ and the condition number, adding interpretation and justification to our approach. Besides, we prove the convergence for different values of $\varphi$.We offer practical guidelines for its selection via theoretical analysis and empirical results.xtensive experimental results show that UBA \textit{consistently surpasses} the commonly-used schedules across diverse vision and language tasks, spanning network architectures (e.g., ResNet, OLMo) and scales, under different training-iteration budgets.
Authors: Jingyao Li, Senqiao Yang, Sitong Wu, Han Shi, Chuanyang Zheng, Hong Xu, Jiaya Jia
Abstract: The core of out-of-distribution (OOD) detection is to learn the in-distribution (ID) representation, which is distinguishable from OOD samples. Previous work applied recognition-based methods to learn the ID features, which tend to learn shortcuts instead of comprehensive representations. In this work, we find surprisingly that simply using reconstruction-based methods could boost the performance of OOD detection significantly. We deeply explore the main contributors of OOD detection and find that reconstruction-based pretext tasks have the potential to provide a generally applicable and efficacious prior, which benefits the model in learning intrinsic data distributions of the ID dataset. Specifically, we take Masked Image Modeling as a pretext task for our OOD detection framework (MOOD). Without bells and whistles, MOOD outperforms previous SOTA of one-class OOD detection by 5.7%, multi-class OOD detection by 3.0%, and near-distribution OOD detection by 2.1%. It even defeats the 10-shot-per-class outlier exposure OOD detection, although we do not include any OOD samples for our detection. Codes are available at https://github.com/JulietLJY/MOOD.
Authors: Christina Runkel, Natacha Kuete Meli, Jovita Lukasik, Ander Biguri, Carola-Bibiane Sch\"onlieb, Michael Moeller
Abstract: Compressing and pruning large machine learning models has become a critical step towards their deployment in real-world applications. Standard pruning and compression techniques are typically designed without taking the structure of the network's weights into account, limiting their effectiveness. We explore the impact of smooth regularization on neural network training and model compression. By applying nuclear norm, first- and second-order derivative penalties of the weights during training, we encourage structured smoothness while preserving predictive performance on par with non-smooth models. We find that standard pruning methods often perform better when applied to these smooth models. Building on this observation, we apply a Singular-Value-Decomposition-based compression method that exploits the underlying smooth structure and approximates the model's weight tensors by smaller low-rank tensors. Our approach enables state-of-the-art compression without any fine-tuning - reaching up to $91\%$ accuracy on a smooth ResNet-18 on CIFAR-10 with $70\%$ fewer parameters.
Authors: Nikita Balagansky, Yaroslav Aksenov, Daniil Laptev, Vadim Kurochkin, Gleb Gerasimov, Nikita Koryagin, Daniil Gavrilov
Abstract: Sparse Autoencoders (SAEs) have proven to be powerful tools for interpreting neural networks by decomposing hidden representations into disentangled, interpretable features via sparsity constraints. However, conventional SAEs are constrained by the fixed sparsity level chosen during training; meeting different sparsity requirements therefore demands separate models and increases the computational footprint during both training and evaluation. We introduce a novel training objective, \emph{HierarchicalTopK}, which trains a single SAE to optimise reconstructions across multiple sparsity levels simultaneously. Experiments with Gemma-2 2B demonstrate that our approach achieves Pareto-optimal trade-offs between sparsity and explained variance, outperforming traditional SAEs trained at individual sparsity levels. Further analysis shows that HierarchicalTopK preserves high interpretability scores even at higher sparsity. The proposed objective thus closes an important gap between flexibility and interpretability in SAE design.
Authors: David Steinmann, Wolfgang Stammer, Antonia W\"ust, Kristian Kersting
Abstract: Developing high-performing, yet interpretable models remains a critical challenge in modern AI. Concept-based models (CBMs) attempt to address this by extracting human-understandable concepts from a global encoding (e.g., image encoding) and then applying a linear classifier on the resulting concept activations, enabling transparent decision-making. However, their reliance on holistic image encodings limits their expressiveness in object-centric real-world settings and thus hinders their ability to solve complex vision tasks beyond single-label classification. To tackle these challenges, we introduce Object-Centric Concept Bottlenecks (OCB), a framework that combines the strengths of CBMs and pre-trained object-centric foundation models, boosting performance and interpretability. We evaluate OCB on complex image datasets and conduct a comprehensive ablation study to analyze key components of the framework, such as strategies for aggregating object-concept encodings. The results show that OCB outperforms traditional CBMs and allows one to make interpretable decisions for complex visual tasks.
Authors: Andres Fernandez, Juan Azcarreta, Cagdas Bilen, Jesus Monge Alvarez
Abstract: Recent work in online speech spectrogram inversion effectively combines Deep Learning with the Gradient Theorem to predict phase derivatives directly from magnitudes. Then, phases are estimated from their derivatives via least squares, resulting in a high quality reconstruction. In this work, we introduce three innovations that drastically reduce computational cost, while maintaining high quality: Firstly, we introduce a novel neural network architecture with just 8k parameters, 30 times smaller than previous state of the art. Secondly, increasing latency by 1 hop size allows us to further halve the cost of the neural inference step. Thirdly, we we observe that the least squares problem features a tridiagonal matrix and propose a linear-complexity solver for the least squares step that leverages tridiagonality and positive-semidefiniteness, achieving a speedup of several orders of magnitude. We release samples online.
Authors: Ignacio Boero, Santiago Diaz, Tom\'as V\'azquez, Enzo Coppes, Pablo Belzarena, Federico Larroca
Abstract: The Optimal Reactive Power Dispatch (ORPD) problem plays a crucial role in power system operations, ensuring voltage stability and minimizing power losses. Recent advances in machine learning, particularly within the ``learning to optimize'' framework, have enabled fast and efficient approximations of ORPD solutions, typically by training models on precomputed optimization results. While these approaches have demonstrated promising performance on synthetic datasets, their effectiveness under real-world grid conditions remains largely unexplored. This paper makes two key contributions. First, we introduce a publicly available power system dataset that includes both the structural characteristics of Uruguay's electrical grid and nearly two years of real-world operational data, encompassing actual demand and generation profiles. Given Uruguay's high penetration of renewable energy, the ORPD problem has become the primary optimization challenge in its power network. Second, we assess the impact of real-world data on learning-based ORPD solutions, revealing a significant increase in prediction errors when transitioning from synthetic to actual demand and generation inputs. Our results highlight the limitations of existing models in learning under the complex statistical properties of real grid conditions and emphasize the need for more expressive architectures. By providing this dataset, we aim to facilitate further research into robust learning-based optimization techniques for power system management.
Authors: Jiahao Wang, Mingyue Cheng, Qi Liu
Abstract: Time series forecasting (TSF) is a fundamental and widely studied task, spanning methods from classical statistical approaches to modern deep learning and multimodal language modeling. Despite their effectiveness, these methods often follow a fast thinking paradigm emphasizing pattern extraction and direct value mapping, while overlooking explicit reasoning over temporal dynamics and contextual dependencies. Meanwhile, emerging slow-thinking LLMs (e.g., ChatGPT-o1, DeepSeek-R1) have demonstrated impressive multi-step reasoning capabilities across diverse domains, suggesting a new opportunity for reframing TSF as a structured reasoning task. This motivates a key question: can slow-thinking LLMs effectively reason over temporal patterns to support time series forecasting, even in zero-shot manner? To investigate this, in this paper, we propose TimeReasoner, an extensive empirical study that formulates TSF as a conditional reasoning task. We design a series of prompting strategies to elicit inference-time reasoning from pretrained slow-thinking LLMs and evaluate their performance across diverse TSF benchmarks. Our findings reveal that slow-thinking LLMs exhibit non-trivial zero-shot forecasting capabilities, especially in capturing high-level trends and contextual shifts. While preliminary, our study surfaces important insights into the reasoning behaviors of LLMs in temporal domains highlighting both their potential and limitations. We hope this work catalyzes further research into reasoning-based forecasting paradigms and paves the way toward more interpretable and generalizable TSF frameworks.
Authors: Paritosh Ranjan, Surajit Majumder, Prodip Roy
Abstract: Deep Learning, driven by neural networks, has led to groundbreaking advancements in Artificial Intelligence by enabling systems to learn and adapt like the human brain. These models have achieved remarkable results, particularly in data-intensive domains, supported by massive computational infrastructure. However, deploying such systems in Aerospace, where real time data processing and ultra low latency are critical, remains a challenge due to infrastructure limitations. This paper proposes a novel concept: the Airborne Neural Network a distributed architecture where multiple airborne devices each host a subset of neural network neurons. These devices compute collaboratively, guided by an airborne network controller and layer specific controllers, enabling real-time learning and inference during flight. This approach has the potential to revolutionize Aerospace applications, including airborne air traffic control, real-time weather and geographical predictions, and dynamic geospatial data processing. By enabling large-scale neural network operations in airborne environments, this work lays the foundation for the next generation of AI powered Aerospace systems.
Authors: Sagar Ghosh, Kushal Bose, Swagatam Das
Abstract: Despite their central role in the success of foundational models and large-scale language modeling, the theoretical foundations governing the operation of Transformers remain only partially understood. Contemporary research has largely focused on their representational capacity for language comprehension and their prowess in in-context learning, frequently under idealized assumptions such as linearized attention mechanisms. Initially conceived to model sequence-to-sequence transformations, a fundamental and unresolved question is whether Transformers can robustly perform functional regression over sequences of input tokens. This question assumes heightened importance given the inherently non-Euclidean geometry underlying real-world data distributions. In this work, we establish that Transformers equipped with softmax-based nonlinear attention are uniformly consistent when tasked with executing Ordinary Least Squares (OLS) regression, provided both the inputs and outputs are embedded in hyperbolic space. We derive deterministic upper bounds on the empirical error which, in the asymptotic regime, decay at a provable rate of $\mathcal{O}(t^{-1/2d})$, where $t$ denotes the number of input tokens and $d$ the embedding dimensionality. Notably, our analysis subsumes the Euclidean setting as a special case, recovering analogous convergence guarantees parameterized by the intrinsic dimensionality of the data manifold. These theoretical insights are corroborated through empirical evaluations on real-world datasets involving both continuous and categorical response variables.
Authors: Mahesh Godavarti
Abstract: We introduce a novel framework consisting of a class of algebraic structures that generalize one-dimensional monoidal systems into higher dimensions by defining per-axis composition operators subject to non-commutativity and a global interchange law. These structures, defined recursively from a base case of vector-matrix pairs, model directional composition in multiple dimensions while preserving structural coherence through commutative linear operators. We show that the framework that unifies several well-known linear transforms in signal processing and data analysis. In this framework, data indices are embedded into a composite structure that decomposes into simpler components. We show that classic transforms such as the Discrete Fourier Transform (DFT), the Walsh transform, and the Hadamard transform are special cases of our algebraic structure. The framework provides a systematic way to derive these transforms by appropriately choosing vector and matrix pairs. By subsuming classical transforms within a common structure, the framework also enables the development of learnable transformations tailored to specific data modalities and tasks.
Authors: Florian Frantzen, Michael T. Schaub
Abstract: In this paper, we propose HLSAD, a novel method for detecting anomalies in time-evolving simplicial complexes. While traditional graph anomaly detection techniques have been extensively studied, they often fail to capture changes in higher-order interactions that are crucial for identifying complex structural anomalies. These higher-order interactions can arise either directly from the underlying data itself or through graph lifting techniques. Our approach leverages the spectral properties of Hodge Laplacians of simplicial complexes to effectively model multi-way interactions among data points. By incorporating higher-dimensional simplicial structures into our method, our method enhances both detection accuracy and computational efficiency. Through comprehensive experiments on both synthetic and real-world datasets, we demonstrate that our approach outperforms existing graph methods in detecting both events and change points.
Authors: Narmeen Oozeer, Luke Marks, Fazl Barez, Amirali Abdullah
Abstract: Controlling multiple behavioral attributes in large language models (LLMs) at inference time is a challenging problem due to interference between attributes and the limitations of linear steering methods, which assume additive behavior in activation space and require per-attribute tuning. We introduce K-Steering, a unified and flexible approach that trains a single non-linear multi-label classifier on hidden activations and computes intervention directions via gradients at inference time. This avoids linearity assumptions, removes the need for storing and tuning separate attribute vectors, and allows dynamic composition of behaviors without retraining. To evaluate our method, we propose two new benchmarks, ToneBank and DebateMix, targeting compositional behavioral control. Empirical results across 3 model families, validated by both activation-based classifiers and LLM-based judges, demonstrate that K-Steering outperforms strong baselines in accurately steering multiple behaviors.
Authors: Abhishek Chandra, Taniya Kapoor, Mitrofan Curti, Koen Tiels, Elena A. Lomonova
Abstract: Complex piezoelectric systems are foundational in industrial applications. Their performance, however, is challenged by the nonlinear voltage-displacement hysteretic relationships. Efficient characterization methods are, therefore, essential for reliable design, monitoring, and maintenance. Recently proposed neural operator methods serve as surrogates for system characterization but face two pressing issues: interpretability and generalizability. State-of-the-art (SOTA) neural operators are black-boxes, providing little insight into the learned operator. Additionally, generalizing them to novel voltages and predicting displacement profiles beyond the training domain is challenging, limiting their practical use. To address these limitations, this paper proposes a neuro-symbolic operator (NSO) framework that derives the analytical operators governing hysteretic relationships. NSO first learns a Fourier neural operator mapping voltage fields to displacement profiles, followed by a library-based sparse model discovery method, generating white-box parsimonious models governing the underlying hysteresis. These models enable accurate and interpretable prediction of displacement profiles across varying and out-of-distribution voltage fields, facilitating generalizability. The potential of NSO is demonstrated by accurately predicting voltage-displacement hysteresis, including butterfly-shaped relationships. Moreover, NSO predicts displacement profiles even for noisy and low-fidelity voltage data, emphasizing its robustness. The results highlight the advantages of NSO compared to SOTA neural operators and model discovery methods on several evaluation metrics. Consequently, NSO contributes to characterizing complex piezoelectric systems while improving the interpretability and generalizability of neural operators, essential for design, monitoring, maintenance, and other real-world scenarios.
Authors: Chaoyu Liu, Yangming Li, Zhongying Deng, Chris Budd, Carola-Bibiane Sch\"onlieb
Abstract: Fourier Neural Operators (FNOs) have recently emerged as a promising and efficient approach for learning the numerical solutions to partial differential equations (PDEs) from data. However, standard FNO often fails to preserve key conservation laws, such as mass conservation, momentum conservation, norm conservation, etc., which are crucial for accurately modeling physical systems. Existing methods for incorporating these conservation laws into Fourier neural operators are achieved by designing related loss function or incorporating post-processing method at the training time. None of them can both exactly and adaptively correct the outputs to satisfy conservation laws, and our experiments show that these methods can lead to inferior performance while preserving conservation laws. In this work, we propose a novel adaptive correction approach to ensure the conservation of fundamental quantities. Our method introduces a learnable matrix to adaptively adjust the solution to satisfy the conservation law during training. It ensures that the outputs exactly satisfy the goal conservation law and allow for more flexibility and adaptivity for the model to correct the outputs. We theoretically show that applying our adaptive correction to an unconstrained FNO yields a solution with data loss no worse than that of the best conservation-satisfying FNO. We compare our approach with existing methods on a range of representative PDEs. Experiment results show that our method consistently outperform other methods.
Authors: Sakhinana Sagar Srinivas, Shivam Gupta, Venkataramana Runkana
Abstract: Recent advancements in generative AI have accelerated the discovery of novel chemicals and materials; however, transitioning these discoveries to industrial-scale production remains a critical bottleneck, as it requires the development of entirely new chemical manufacturing processes. Current AI methods cannot auto-generate PFDs or PIDs, despite their critical role in scaling chemical processes, while adhering to engineering constraints. We present a closed loop, physics aware framework for the automated generation of industrially viable PFDs and PIDs. The framework integrates domain specialized small scale language models (SLMs) (trained for chemical process QA tasks) with first principles simulation, leveraging three key components: (1) a hierarchical knowledge graph of process flow and instrumentation descriptions for 1,020+ chemicals, (2) a multi-stage training pipeline that fine tunes domain specialized SLMs on synthetic datasets via Supervised Fine-Tuning (SFT), Direct Preference Optimization (DPO), and Retrieval-Augmented Instruction Tuning (RAIT), and (3) DWSIM based simulator in the loop validation to ensure feasibility. To improve both runtime efficiency and model compactness, the framework incorporates advanced inference time optimizations including FlashAttention, Lookahead Decoding, PagedAttention with KV-cache quantization, and Test Time Inference Scaling and independently applies structural pruning techniques (width and depth) guided by importance heuristics to reduce model size with minimal accuracy loss. Experiments demonstrate that the framework generates simulator-validated process descriptions with high fidelity, outperforms baseline methods in correctness, and generalizes to unseen chemicals. By bridging AI-driven design with industrial-scale feasibility, this work significantly reduces R&D timelines from lab discovery to plant deployment.
Authors: Weebum Yoo, Sung Whan Yoon
Abstract: Model robustness indicates a model's capability to generalize well on unforeseen distributional shifts, including data corruption, adversarial attacks, and domain shifts. Data augmentation is one of the prevalent and effective ways to enhance robustness. Despite the great success of augmentations in different fields, a general theoretical understanding of their efficacy in improving model robustness is lacking. We offer a unified theoretical framework to clarify how augmentations can enhance model robustness through the lens of loss surface flatness and PAC generalization bound. Our work diverges from prior studies in that our analysis i) broadly encompasses much of the existing augmentation methods, and ii) is not limited to specific types of distribution shifts like adversarial attacks. We confirm our theories through simulations on the existing common corruption and adversarial robustness benchmarks based on the CIFAR and ImageNet datasets, as well as domain generalization benchmarks including PACS and OfficeHome.
Authors: Andrei Chernov, Vitaliy Pozdnyakov, Ilya Makarov
Abstract: Recent studies in time series forecasting have explored formulating regression via classification task. By discretizing the continuous target space into bins and predicting over a fixed set of classes, these approaches benefit from stable training, robust uncertainty modeling, and compatibility with modern deep learning architectures. However, most existing methods rely on one-hot encoding that ignores the inherent ordinal structure of the underlying values. As a result, they fail to provide information about the relative distance between predicted and true values during training. In this paper, we propose to address this limitation by introducing binary cumulative encoding (BCE), that represents scalar targets into monotonic binary vectors. This encoding implicitly preserves order and magnitude information, allowing the model to learn distance-aware representations while still operating within a classification framework. We propose a convolutional neural network architecture specifically designed for BCE, incorporating residual and dilated convolutions to enable fast and expressive temporal modeling. Through extensive experiments on benchmark forecasting datasets, we show that our approach outperforms widely used methods in both point and probabilistic forecasting, while requiring fewer parameters and enabling faster training.
Authors: Omri Lev, Vishwak Srinivasan, Moshe Shenfeld, Katrina Ligett, Ayush Sekhari, Ashia C. Wilson
Abstract: Gaussian sketching, which consists of pre-multiplying the data with a random Gaussian matrix, is a widely used technique for multiple problems in data science and machine learning, with applications spanning computationally efficient optimization, coded computing, and federated learning. This operation also provides differential privacy guarantees due to its inherent randomness. In this work, we revisit this operation through the lens of Renyi Differential Privacy (RDP), providing a refined privacy analysis that yields significantly tighter bounds than prior results. We then demonstrate how this improved analysis leads to performance improvement in different linear regression settings, establishing theoretical utility guarantees. Empirically, our methods improve performance across multiple datasets and, in several cases, reduce runtime.
Authors: Sujoy Chatterjee, Everton Romanzini Colombo, Marcos Medeiros Raimundo
Abstract: Explainability is crucial for improving the transparency of black-box machine learning models. With the advancement of explanation methods such as LIME and SHAP, various XAI performance metrics have been developed to evaluate the quality of explanations. However, different explainers can provide contrasting explanations for the same prediction, introducing trade-offs across conflicting quality metrics. Although available aggregation approaches improve robustness, reducing explanations' variability, very limited research employed a multi-criteria decision-making approach. To address this gap, this paper introduces a multi-criteria rank-based weighted aggregation method that balances multiple quality metrics simultaneously to produce an ensemble of explanation models. Furthermore, we propose rank-based versions of existing XAI metrics (complexity, faithfulness and stability) to better evaluate ranked feature importance explanations. Extensive experiments on publicly available datasets demonstrate the robustness of the proposed model across these metrics. Comparative analyses of various multi-criteria decision-making and rank aggregation algorithms showed that TOPSIS and WSUM are the best candidates for this use case.
Authors: Wenyuan Li, Guang Li, Keisuke Maeda, Takahiro Ogawa, Miki Haseyama
Abstract: To address the computational and storage challenges posed by large-scale datasets in deep learning, dataset distillation has been proposed to synthesize a compact dataset that replaces the original while maintaining comparable model performance. Unlike optimization-based approaches that require costly bi-level optimization, distribution matching (DM) methods improve efficiency by aligning the distributions of synthetic and original data, thereby eliminating nested optimization. DM achieves high computational efficiency and has emerged as a promising solution. However, existing DM methods, constrained to Euclidean space, treat data as independent and identically distributed points, overlooking complex geometric and hierarchical relationships. To overcome this limitation, we propose a novel hyperbolic dataset distillation method, termed HDD. Hyperbolic space, characterized by negative curvature and exponential volume growth with distance, naturally models hierarchical and tree-like structures. HDD embeds features extracted by a shallow network into the Lorentz hyperbolic space, where the discrepancy between synthetic and original data is measured by the hyperbolic (geodesic) distance between their centroids. By optimizing this distance, the hierarchical structure is explicitly integrated into the distillation process, guiding synthetic samples to gravitate towards the root-centric regions of the original data distribution while preserving their underlying geometric characteristics. Furthermore, we find that pruning in hyperbolic space requires only 20% of the distilled core set to retain model performance, while significantly improving training stability. Notably, HDD is seamlessly compatible with most existing DM methods, and extensive experiments on different datasets validate its effectiveness.
Authors: Fu Luo, Yaoxin Wu, Zhi Zheng, Zhenkun Wang
Abstract: Recent neural combinatorial optimization (NCO) methods have shown promising problem-solving ability without requiring domain-specific expertise. Most existing NCO methods use training and testing data with a fixed constraint value and lack research on the effect of constraint tightness on the performance of NCO methods. This paper takes the capacity-constrained vehicle routing problem (CVRP) as an example to empirically analyze the NCO performance under different tightness degrees of the capacity constraint. Our analysis reveals that existing NCO methods overfit the capacity constraint, and they can only perform satisfactorily on a small range of the constraint values but poorly on other values. To tackle this drawback of existing NCO methods, we develop an efficient training scheme that explicitly considers varying degrees of constraint tightness and proposes a multi-expert module to learn a generally adaptable solving strategy. Experimental results show that the proposed method can effectively overcome the overfitting issue, demonstrating superior performances on the CVRP and CVRP with time windows (CVRPTW) with various constraint tightness degrees.
Authors: Lotte Bransen, Tim Janssen, Jesse Davis
Abstract: Penalties are fraught and game-changing moments in soccer games that teams explicitly prepare for. Consequently, there has been substantial interest in analyzing them in order to provide advice to practitioners. From a data science perspective, such analyses suffer from a significant limitation: they make the unrealistic simplifying assumption that goalkeepers and takers select their action -- where to dive and where to the place the kick -- independently of each other. In reality, the choices that some goalkeepers make depend on the taker's movements and vice-versa. This adds substantial complexity to the problem because not all players have the same action capacities, that is, only some players are capable of basing their decisions on their opponent's movements. However, the small sample sizes on the player level mean that one may have limited insights into a specific opponent's capacities. We address these challenges by developing a player-agnostic simulation framework that can evaluate the efficacy of different goalkeeper strategies. It considers a rich set of choices and incorporates information about a goalkeeper's skills. Our work is grounded in a large dataset of penalties that were annotated by penalty experts and include aspects of both kicker and goalkeeper strategies. We show how our framework can be used to optimize goalkeeper policies in real-world situations.
Authors: Masahiro Negishi, Thomas G\"artner, Pascal Welke
Abstract: We investigate the distance function learned by message passing neural networks (MPNNs) in specific tasks, aiming to capture the functional distance between prediction targets that MPNNs implicitly learn. This contrasts with previous work, which links MPNN distances on arbitrary tasks to structural distances on graphs that ignore task-specific information. To address this gap, we distill the distance between MPNN embeddings into an interpretable graph distance. Our method uses optimal transport on the Weisfeiler Leman Labeling Tree (WILT), where the edge weights reveal subgraphs that strongly influence the distance between embeddings. This approach generalizes two well-known graph kernels and can be computed in linear time. Through extensive experiments, we demonstrate that MPNNs define the relative position of embeddings by focusing on a small set of subgraphs that are known to be functionally important in the domain.
Authors: Daniel Severo, Brian Karrer, Niklas Nolte
Abstract: Learning distributions over permutations is a fundamental problem in machine learning, with applications in ranking, combinatorial optimization, structured prediction, and data association. Existing methods rely on mixtures of parametric families or neural networks with expensive variational inference procedures. In this work, we propose a novel approach that leverages alternative representations for permutations, including Lehmer codes, Fisher-Yates draws, and Insertion-Vectors. These representations form a bijection with the symmetric group, allowing for unconstrained learning using conventional deep learning techniques, and can represent any probability distribution over permutations. Our approach enables a trade-off between expressivity of the model family and computational requirements. In the least expressive and most computationally efficient case, our method subsumes previous families of well established probabilistic models over permutations, including Mallow's and the Repeated Insertion Model. Experiments indicate our method significantly outperforms current approaches on the jigsaw puzzle benchmark, a common task for permutation learning. However, we argue this benchmark is limited in its ability to assess learning probability distributions, as the target is a delta distribution (i.e., a single correct solution exists). We therefore propose two additional benchmarks: learning cyclic permutations and re-ranking movies based on user preference. We show that our method learns non-trivial distributions even in the least expressive mode, while traditional models fail to even generate valid permutations in this setting.
Authors: Hanlin Yu, S{\o}ren Hauberg, Marcelo Hartmann, Arto Klami, Georgios Arvanitidis
Abstract: Real world data often lie on low-dimensional Riemannian manifolds embedded in high-dimensional spaces. This motivates learning degenerate normalizing flows that map between the ambient space and a low-dimensional latent space. However, if the manifold has a non-trivial topology, it can never be correctly learned using a single flow. Instead multiple flows must be `glued together'. In this paper, we first propose the general training scheme for learning such a collection of flows, and secondly we develop the first numerical algorithms for computing geodesics on such manifolds. Empirically, we demonstrate that this leads to highly significant improvements in topology estimation.
Authors: Mihir Bhaskar, Jun Tao Luo, Zihan Geng, Asmita Hajra, Junia Howell, Matthew R. Gormley
Abstract: Despite well-documented consequences of the U.S. government's 1930s housing policies on racial wealth disparities, scholars have struggled to quantify its precise financial effects due to the inaccessibility of historical property appraisal records. Many counties still store these records in physical formats, making large-scale quantitative analysis difficult. We present an approach scholars can use to digitize historical housing assessment data, applying it to build and release a dataset for one county. Starting from publicly available scanned documents, we manually annotated property cards for over 12,000 properties to train and validate our methods. We use OCR to label data for an additional 50,000 properties, based on our two-stage approach combining classical computer vision techniques with deep learning-based OCR. For cases where OCR cannot be applied, such as when scanned documents are not available, we show how a regression model based on building feature data can estimate the historical values, and test the generalizability of this model to other counties. With these cost-effective tools, scholars, community activists, and policy makers can better analyze and understand the historical impacts of redlining.
Authors: Zihao Chen, Yu Xiang, Wenyong Wang
Abstract: Despite the success in learning semantically meaningful, unsupervised disentangled representations, variational autoencoders (VAEs) and their variants face a fundamental theoretical challenge: substantial evidence indicates that unsupervised disentanglement is unattainable without implicit inductive bias, yet such bias remains elusive. In this work, we focus on exploring the implicit inductive bias that drive disentanglement in VAEs with factorization priors. By analyzing the total correlation in \b{eta}-TCVAE, we uncover a crucial implicit inductive bias called disentangling granularity, which leads to the discovery of an interesting "V"-shaped optimal Evidence Lower Bound (ELBO) trajectory within the parameter space. This finding is validated through over 100K experiments using factorized VAEs and our newly proposed model, \b{eta}-STCVAE. Notably, experimental results reveal that conventional factorized VAEs, constrained by fixed disentangling granularity, inherently tend to disentangle low-complexity feature. Whereas, appropriately tuning disentangling granularity, as enabled by \b{eta}-STCVAE, broadens the range of disentangled representations, allowing for the disentanglement of high-complexity features. Our findings unveil that disentangling granularity as an implicit inductive bias in factorized VAEs influence both disentanglement performance and the inference of the ELBO, offering fresh insights into the interpretability and inherent biases of VAEs.
Authors: Derek Everett, Fred Lu, Edward Raff, Fernando Camacho, James Holt
Abstract: Canonical algorithms for multi-armed bandits typically assume a stationary reward environment where the size of the action space (number of arms) is small. More recently developed methods typically relax only one of these assumptions: existing non-stationary bandit policies are designed for a small number of arms, while Lipschitz, linear, and Gaussian process bandit policies are designed to handle a large (or infinite) number of arms in stationary reward environments under constraints on the reward function. In this manuscript, we propose a novel policy to learn reward environments over a continuous space using Gaussian interpolation. We show that our method efficiently learns continuous Lipschitz reward functions with $\mathcal{O}^*(\sqrt{T})$ cumulative regret. Furthermore, our method naturally extends to non-stationary problems with a simple modification. We finally demonstrate that our method is computationally favorable (100-10000x faster) and experimentally outperforms sliding Gaussian process policies on datasets with non-stationarity and an extremely large number of arms.
Authors: Soichiro Nishimori, Yu-Jie Zhang, Thanawat Lodkaew, Masashi Sugiyama
Abstract: Optimizing policies based on human preferences is key to aligning language models with human intent. This work focuses on reward modeling, a core component in reinforcement learning from human feedback (RLHF), and offline preference optimization, such as direct preference optimization. Conventional approaches typically assume accurate annotations. However, real-world preference data often contains noise due to human errors or biases. We propose a principled framework for robust policy optimization under noisy preferences, viewing reward modeling as a classification problem. This allows us to leverage symmetric losses, known for their robustness to label noise in classification, leading to our Symmetric Preference Optimization (SymPO) method. We prove that symmetric losses enable successful policy optimization even under noisy labels, as the resulting reward remains rank-preserving -- a property sufficient for policy improvement. Experiments on synthetic and real-world tasks demonstrate the effectiveness of SymPO.
Authors: Wei Chen, Jiahao Zhang, Haipeng Zhu, Boyan Xu, Zhifeng Hao, Keli Zhang, Junjian Ye, Ruichu Cai
Abstract: Large language models (LLMs) have shown great potential in decision-making due to the vast amount of knowledge stored within the models. However, these pre-trained models are prone to lack reasoning abilities and are difficult to adapt to new environments, further hindering their application to complex real-world tasks. To address these challenges, inspired by the human cognitive process, we propose Causal-aware LLMs, which integrate the structural causal model (SCM) into the decision-making process to model, update, and utilize structured knowledge of the environment in a ``learning-adapting-acting" paradigm. Specifically, in the learning stage, we first utilize an LLM to extract the environment-specific causal entities and their causal relations to initialize a structured causal model of the environment. Subsequently,in the adapting stage, we update the structured causal model through external feedback about the environment, via an idea of causal intervention. Finally, in the acting stage, Causal-aware LLMs exploit structured causal knowledge for more efficient policy-making through the reinforcement learning agent. The above processes are performed iteratively to learn causal knowledge, ultimately enabling the causal-aware LLMs to achieve a more accurate understanding of the environment and make more efficient decisions. Experimental results across 22 diverse tasks within the open-world game ``Crafter" validate the effectiveness of our proposed method.
Authors: Fabio Fehr, Prabhu Teja Sivaprasad, Luca Franceschi, Giovanni Zappella
Abstract: In this paper, we introduce CoRet, a dense retrieval model designed for code-editing tasks that integrates code semantics, repository structure, and call graph dependencies. The model focuses on retrieving relevant portions of a code repository based on natural language queries such as requests to implement new features or fix bugs. These retrieved code chunks can then be presented to a user or to a second code-editing model or agent. To train CoRet, we propose a loss function explicitly designed for repository-level retrieval. On SWE-bench and Long Code Arena's bug localisation datasets, we show that our model substantially improves retrieval recall by at least 15 percentage points over existing models, and ablate the design choices to show their importance in achieving these results.
Authors: Benjamin Holzschuh, Qiang Liu, Georg Kohl, Nils Thuerey
Abstract: We introduce PDE-Transformer, an improved transformer-based architecture for surrogate modeling of physics simulations on regular grids. We combine recent architectural improvements of diffusion transformers with adjustments specific for large-scale simulations to yield a more scalable and versatile general-purpose transformer architecture, which can be used as the backbone for building large-scale foundation models in physical sciences. We demonstrate that our proposed architecture outperforms state-of-the-art transformer architectures for computer vision on a large dataset of 16 different types of PDEs. We propose to embed different physical channels individually as spatio-temporal tokens, which interact via channel-wise self-attention. This helps to maintain a consistent information density of tokens when learning multiple types of PDEs simultaneously. We demonstrate that our pre-trained models achieve improved performance on several challenging downstream tasks compared to training from scratch and also beat other foundation model architectures for physics simulations.
Authors: Nick Rossenbach, Benedikt Hilmes, Leon Brackmann, Moritz Gunz, Ralf Schl\"uter
Abstract: Memristor-based hardware offers new possibilities for energy-efficient machine learning (ML) by providing analog in-memory matrix multiplication. Current hardware prototypes cannot fit large neural networks, and related literature covers only small ML models for tasks like MNIST or single word recognition. Simulation can be used to explore how hardware properties affect larger models, but existing software assumes simplified hardware. We propose a PyTorch-based library based on "Synaptogen" to simulate neural network execution with accurately captured memristor hardware properties. For the first time, we show how an ML system with millions of parameters would behave on memristor hardware, using a Conformer trained on the speech recognition task TED-LIUMv2 as example. With adjusted quantization-aware training, we limit the relative degradation in word error rate to 25% when using a 3-bit weight precision to execute linear operations via simulated analog computation.
Authors: Neil He, Rishabh Anand, Hiren Madhu, Ali Maatouk, Smita Krishnaswamy, Leandros Tassiulas, Menglin Yang, Rex Ying
Abstract: Large language models (LLMs) have shown great success in text modeling tasks across domains. However, natural language exhibits inherent semantic hierarchies and nuanced geometric structure, which current LLMs do not capture completely owing to their reliance on Euclidean operations. Recent studies have also shown that not respecting the geometry of token embeddings leads to training instabilities and degradation of generative capabilities. These findings suggest that shifting to non-Euclidean geometries can better align language models with the underlying geometry of text. We thus propose to operate fully in Hyperbolic space, known for its expansive, scale-free, and low-distortion properties. We thus introduce HELM, a family of HypErbolic Large Language Models, offering a geometric rethinking of the Transformer-based LLM that addresses the representational inflexibility, missing set of necessary operations, and poor scalability of existing hyperbolic LMs. We additionally introduce a Mixture-of-Curvature Experts model, HELM-MICE, where each expert operates in a distinct curvature space to encode more fine-grained geometric structure from text, as well as a dense model, HELM-D. For HELM-MICE, we further develop hyperbolic Multi-Head Latent Attention (HMLA) for efficient, reduced-KV-cache training and inference. For both models, we develop essential hyperbolic equivalents of rotary positional encodings and RMS normalization. We are the first to train fully hyperbolic LLMs at billion-parameter scale, and evaluate them on well-known benchmarks such as MMLU and ARC, spanning STEM problem-solving, general knowledge, and commonsense reasoning. Our results show consistent gains from our HELM architectures -- up to 4% -- over popular Euclidean architectures used in LLaMA and DeepSeek, highlighting the efficacy and enhanced reasoning afforded by hyperbolic geometry in large-scale LM pretraining.
Authors: Dongzi Jin, Yong Xiao, Yingyu Li
Abstract: Federated Learning (FL) is a promising paradigm for realizing edge intelligence, allowing collaborative learning among distributed edge devices by sharing models instead of raw data. However, the shared models are often assumed to be ideal, which would be inevitably violated in practice due to various perturbations, leading to significant performance degradation. To overcome this challenge, we propose a novel method, termed Sharpness-Aware Minimization-based Robust Federated Learning (SMRFL), which aims to improve model robustness against perturbations by exploring the geometrical property of the model landscape. Specifically, SMRFL solves a min-max optimization problem that promotes model convergence towards a flat minimum by minimizing the maximum loss within a neighborhood of the model parameters. In this way, model sensitivity to perturbations is reduced, and robustness is enhanced since models in the neighborhood of the flat minimum also enjoy low loss values. The theoretical result proves that SMRFL can converge at the same rate as FL without perturbations. Extensive experimental results show that SMRFL significantly enhances robustness against perturbations compared to three baseline methods on two real-world datasets under three perturbation scenarios.
Authors: Magamed Taimeskhanov, Damien Garreau
Abstract: Feature attribution methods are a popular approach to explain the behavior of machine learning models. They assign importance scores to each input feature, quantifying their influence on the model's prediction. However, evaluating these methods empirically remains a significant challenge. To bypass this shortcoming, several prior works have proposed axiomatic frameworks that any feature attribution method should satisfy. In this work, we argue that such axioms are often too restrictive, and propose in response a new feature attribution framework, built from the ground up. Rather than imposing axioms, we start by defining attributions for the simplest possible models, i.e., indicator functions, and use these as building blocks for more complex models. We then show that one recovers several existing attribution methods, depending on the choice of atomic attribution. Subsequently, we derive closed-form expressions for attribution of deep ReLU networks, and take a step toward the optimization of evaluation metrics with respect to feature attributions.
Authors: Erchi Wang, Yuqing Zhu, Yu-Xiang Wang
Abstract: This paper studies the problem of differentially private empirical risk minimization (DP-ERM) for binary linear classification. We obtain an efficient $(\varepsilon,\delta)$-DP algorithm with an empirical zero-one risk bound of $\tilde{O}\left(\frac{1}{\gamma^2\varepsilon n} + \frac{|S_{\mathrm{out}}|}{\gamma n}\right)$ where $n$ is the number of data points, $S_{\mathrm{out}}$ is an arbitrary subset of data one can remove and $\gamma$ is the margin of linear separation of the remaining data points (after $S_{\mathrm{out}}$ is removed). Here, $\tilde{O}(\cdot)$ hides only logarithmic terms. In the agnostic case, we improve the existing results when the number of outliers is small. Our algorithm is highly adaptive because it does not require knowing the margin parameter $\gamma$ or outlier subset $S_{\mathrm{out}}$. We also derive a utility bound for the advanced private hyperparameter tuning algorithm.
Authors: Yehonathan Refael, Guy Smorodinsky, Tom Tirer, Ofir Lindenbaum
Abstract: Low-rank gradient-based optimization methods have significantly improved memory efficiency during the training of large language models (LLMs), enabling operations within constrained hardware without sacrificing performance. However, these methods primarily emphasize memory savings, often overlooking potential acceleration in convergence due to their reliance on standard isotropic steepest descent techniques, which can perform suboptimally in the highly anisotropic landscapes typical of deep networks, particularly LLMs. In this paper, we propose SUMO (Subspace-Aware Moment-Orthogonalization), an optimizer that employs exact singular value decomposition (SVD) for moment orthogonalization within a dynamically adapted low-dimensional subspace, enabling norm-inducing steepest descent optimization steps. By explicitly aligning optimization steps with the spectral characteristics of the loss landscape, SUMO effectively mitigates approximation errors associated with commonly used methods like Newton-Schulz orthogonalization approximation. We theoretically establish an upper bound on these approximation errors, proving their dependence on the condition numbers of moments, conditions we analytically demonstrate are encountered during LLM training. Furthermore, we both theoretically and empirically illustrate that exact orthogonalization via SVD substantially improves convergence rates while reducing overall complexity. Empirical evaluations confirm that SUMO accelerates convergence, enhances stability, improves performance, and reduces memory requirements by up to 20% compared to state-of-the-art methods.
Authors: Zafir Stojanovski, Oliver Stanley, Joe Sharratt, Richard Jones, Abdulhakeem Adefioye, Jean Kaddour, Andreas K\"opf
Abstract: We introduce Reasoning Gym (RG), a library of reasoning environments for reinforcement learning with verifiable rewards. It provides over 100 data generators and verifiers spanning multiple domains including algebra, arithmetic, computation, cognition, geometry, graph theory, logic, and various common games. Its key innovation is the ability to generate virtually infinite training data with adjustable complexity, unlike most previous reasoning datasets, which are typically fixed. This procedural generation approach allows for continuous evaluation across varying difficulty levels. Our experimental results demonstrate the efficacy of RG in both evaluating and reinforcement learning of reasoning models.
Authors: Yajie Zhou, Xiaoyi Pang, Zhibo Wang
Abstract: Federated fine-tuning has emerged as a promising approach to adapt foundation models to downstream tasks using decentralized data. However, real-world deployment remains challenging due to the high computational and communication demands of fine-tuning Large Language Models (LLMs) on clients with data and system resources that are heterogeneous and constrained. In such settings, the global model's performance is often bottlenecked by the weakest clients and further degraded by the non-IID nature of local data. Although existing methods leverage parameter-efficient techniques such as Low-Rank Adaptation (LoRA) to reduce communication and computation overhead, they often fail to simultaneously ensure accurate aggregation of low-rank updates and maintain low system costs, thereby hindering overall performance. To address these challenges, we propose AFLoRA, an adaptive and lightweight federated fine-tuning framework for LLMs. AFLoRA decouples shared and client-specific updates to reduce overhead and improve aggregation accuracy, incorporates diagonal matrix-based rank pruning to better utilize local resources, and employs rank-aware aggregation with public data refinement to strengthen generalization under data heterogeneity. Extensive experiments demonstrate that AFLoRA outperforms state-of-the-art methods in both accuracy and efficiency, providing a practical solution for efficient LLM adaptation in heterogeneous environments in the real world.
Authors: Zachary Bastiani, Robert M. Kirby, Jacob Hochhalter, Shandian Zhe
Abstract: Diffusion has emerged as a powerful framework for generative modeling, achieving remarkable success in applications such as image and audio synthesis. Enlightened by this progress, we propose a novel diffusion-based approach for symbolic regression. We construct a random mask-based diffusion and denoising process to generate diverse and high-quality equations. We integrate this generative processes with a token-wise Group Relative Policy Optimization (GRPO) method to conduct efficient reinforcement learning on the given measurement dataset. In addition, we introduce a long short-term risk-seeking policy to expand the pool of top-performing candidates, further enhancing performance. Extensive experiments and ablation studies have demonstrated the effectiveness of our approach.
Authors: Yidong Luo, Chenguang Wang, Jiahao Yang, Fanzeng Xia, Tianshu Yu
Abstract: Mixed-Integer Linear Programming (MILP) is fundamental to solving complex decision-making problems. The proliferation of MILP instance generation methods, driven by machine learning's demand for diverse optimization datasets and the limitations of static benchmarks, has significantly outpaced standardized evaluation techniques. Consequently, assessing the fidelity and utility of synthetic MILP instances remains a critical, multifaceted challenge. This paper introduces a comprehensive benchmark framework designed for the systematic and objective evaluation of MILP instance generation methods. Our framework provides a unified and extensible methodology, assessing instance quality across crucial dimensions: mathematical validity, structural similarity, computational hardness, and utility in downstream machine learning tasks. A key innovation is its in-depth analysis of solver-internal features -- particularly by comparing distributions of key solver outputs including root node gap, heuristic success rates, and cut plane usage -- leveraging the solver's dynamic solution behavior as an `expert assessment' to reveal nuanced computational resemblances. By offering a structured approach with clearly defined solver-independent and solver-dependent metrics, our benchmark aims to facilitate robust comparisons among diverse generation techniques, spur the development of higher-quality instance generators, and ultimately enhance the reliability of research reliant on synthetic MILP data. The framework's effectiveness in systematically comparing the fidelity of instance sets is demonstrated using contemporary generative models.
Authors: Run-Ze He, Jun-Jian Su, Su-Juan Qin, Zheng-Ping Jin, Fei Gao
Abstract: Quantum neural networks converge faster and achieve higher accuracy than classical models. However, data augmentation in quantum machine learning remains underexplored. To tackle data scarcity, we integrate quantum generative adversarial networks (QGANs) with hybrid quantum-classical neural networks (HQCNNs) to develop an augmentation framework. We propose two strategies: a general approach to enhance data processing and classification across HQCNNs, and a customized strategy that dynamically generates samples tailored to the HQCNN's performance on specific data categories, improving its ability to learn from complex datasets. Simulation experiments on the MNIST dataset demonstrate that QGAN outperforms traditional data augmentation methods and classical GANs. Compared to baseline DCGAN, QGAN achieves comparable performance with half the parameters, balancing efficiency and effectiveness. This suggests that QGANs can simplify models and generate high-quality data, enhancing HQCNN accuracy and performance. These findings pave the way for applying quantum data augmentation techniques in machine learning.
Authors: Jiaru Zhang, Juanwu Lu, Ziran Wang, Ruqi Zhang
Abstract: Normalizing flows are promising generative models with advantages such as theoretical rigor, 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. However, 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 patches in sequential modeling can also be approximated without strictly conditioning on all preceding patches. Moreover, the models tend to exhibit low dependency redundancy in the initial layer and higher redundancy in subsequent layers. Leveraging these observations, we propose a selective Jacobi decoding (SeJD) strategy that accelerates 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. Experiments demonstrate substantial speed improvements up to 4.7 times faster inference while keeping the generation quality and fidelity.
Authors: Marc Gonz\'alez, Rachid Guerraoui, Rafael Pinot, Geovani Rizk, John Stephan, Fran\c{c}ois Ta\"iani
Abstract: We present ByzFL, an open-source Python library for developing and benchmarking robust federated learning (FL) algorithms. ByzFL provides a unified and extensible framework that includes implementations of state-of-the-art robust aggregators, a suite of configurable attacks, and tools for simulating a variety of FL scenarios, including heterogeneous data distributions, multiple training algorithms, and adversarial threat models. The library enables systematic experimentation via a single JSON-based configuration file and includes built-in utilities for result visualization. Compatible with PyTorch tensors and NumPy arrays, ByzFL is designed to facilitate reproducible research and rapid prototyping of robust FL solutions. ByzFL is available at https://byzfl.epfl.ch/, with source code hosted on GitHub: https://github.com/LPD-EPFL/byzfl.
URLs: https://byzfl.epfl.ch/,, https://github.com/LPD-EPFL/byzfl.
Authors: Yinggan Xu, Yue Liu, Zhiqiang Gao, Changnan Peng, Di Luo
Abstract: Large language models (LLMs) have rapidly advanced and are increasingly capable of tackling complex scientific problems, including those in physics. Despite this progress, current LLMs often fail to emulate the concise, principle-based reasoning characteristic of human experts, instead generating lengthy and opaque solutions. This discrepancy highlights a crucial gap in their ability to apply core physical principles for efficient and interpretable problem solving. To systematically investigate this limitation, we introduce PhySense, a novel principle-based physics reasoning benchmark designed to be easily solvable by experts using guiding principles, yet deceptively difficult for LLMs without principle-first reasoning. Our evaluation across multiple state-of-the-art LLMs and prompt types reveals a consistent failure to align with expert-like reasoning paths, providing insights for developing AI systems with efficient, robust and interpretable principle-based scientific reasoning.
Authors: Fuyuan Lyu, Linfeng Du, Yunpeng Weng, Qiufang Ying, Zhiyan Xu, Wen Zou, Haolun Wu, Xiuqiang He, Xing Tang
Abstract: Fund allocation has been an increasingly important problem in the financial domain. In reality, we aim to allocate the funds to buy certain assets within a certain future period. Naive solutions such as prediction-only or Predict-then-Optimize approaches suffer from goal mismatch. Additionally, the introduction of the SOTA time series forecasting model inevitably introduces additional uncertainty in the predicted result. To solve both problems mentioned above, we introduce a Risk-aware Time-Series Predict-and-Allocate (RTS-PnO) framework, which holds no prior assumption on the forecasting models. Such a framework contains three features: (i) end-to-end training with objective alignment measurement, (ii) adaptive forecasting uncertainty calibration, and (iii) agnostic towards forecasting models. The evaluation of RTS-PnO is conducted over both online and offline experiments. For offline experiments, eight datasets from three categories of financial applications are used: Currency, Stock, and Cryptos. RTS-PnO consistently outperforms other competitive baselines. The online experiment is conducted on the Cross-Border Payment business at FiT, Tencent, and an 8.4\% decrease in regret is witnessed when compared with the product-line approach. The code for the offline experiment is available at https://github.com/fuyuanlyu/RTS-PnO.
Authors: Harsh Chaudhari, Jamie Hayes, Matthew Jagielski, Ilia Shumailov, Milad Nasr, Alina Oprea
Abstract: Model distillation has become essential for creating smaller, deployable language models that retain larger system capabilities. However, widespread deployment raises concerns about resilience to adversarial manipulation. This paper investigates vulnerability of distilled models to adversarial injection of biased content during training. We demonstrate that adversaries can inject subtle biases into teacher models through minimal data poisoning, which propagates to student models and becomes significantly amplified. We propose two propagation modes: Untargeted Propagation, where bias affects multiple tasks, and Targeted Propagation, focusing on specific tasks while maintaining normal behavior elsewhere. With only 25 poisoned samples (0.25% poisoning rate), student models generate biased responses 76.9% of the time in targeted scenarios - higher than 69.4% in teacher models. For untargeted propagation, adversarial bias appears 6x-29x more frequently in student models on unseen tasks. We validate findings across six bias types (targeted advertisements, phishing links, narrative manipulations, insecure coding practices), various distillation methods, and different modalities spanning text and code generation. Our evaluation reveals shortcomings in current defenses - perplexity filtering, bias detection systems, and LLM-based autorater frameworks - against these attacks. Results expose significant security vulnerabilities in distilled models, highlighting need for specialized safeguards. We propose practical design principles for building effective adversarial bias mitigation strategies.
Authors: Ruqi Bai, Yao Ji, Zeyu Zhou, David I. Inouye
Abstract: Spurious correlations can cause model performance to degrade in new environments. Prior causality-inspired works aim to learn invariant representations (e.g., IRM) but typically underperform empirical risk minimization (ERM). Recent alternatives improve robustness by leveraging test-time data, but such data may be unavailable in practice. To address these issues, we take a data-centric approach by leveraging invariant data pairs, pairs of samples that would have the same prediction with the optimally robust classifier. We prove that certain counterfactual pairs will naturally satisfy this invariance property and introduce noisy counterfactual matching (NCM), a simple constraint-based method for leveraging invariant pairs for enhanced robustness, even with a small set of noisy pairs-in the ideal case, each pair can eliminate one spurious feature. For linear causal models, we prove that the test domain error can be upper bounded by the in-domain error and a term that depends on the counterfactuals' diversity and quality. We validate on a synthetic dataset and demonstrate on real-world benchmarks that linear probing on a pretrained backbone improves robustness.
Authors: Wanyun Xie, Francesco Tonin, Volkan Cevher
Abstract: Training data mixtures greatly impact the generalization performance of large language models. Existing domain reweighting methods often rely on costly weight computations and require retraining when new data is introduced. To this end, we introduce a flexible and efficient data mixing framework, Chameleon, that employs leverage scores to quantify domain importance within a learned embedding space. We first construct a domain affinity matrix over domain embeddings. The induced leverage scores determine a mixture that upweights domains sharing common representations in embedding space. This formulation allows direct transfer to new data by computing the new domain embeddings. In experiments, we demonstrate improvements over three key scenarios: (i) our computed weights improve performance on pretraining domains with a fraction of the compute of existing methods; (ii) Chameleon can adapt to data changes without proxy retraining, boosting few-shot reasoning accuracies when transferred to new data; (iii) our method enables efficient domain reweighting in finetuning, consistently improving test perplexity on all finetuning domains over uniform mixture. Our code is available at https://github.com/LIONS-EPFL/Chameleon.
Authors: Shuyao Xu, Cheng Peng, Jiangxuan Long, Weidi Xu, Wei Chu, Yuan Qi
Abstract: Recent advances in model distillation demonstrate that data from advanced reasoning models (e.g., DeepSeek-R1, OpenAI's o1) can effectively transfer complex reasoning abilities to smaller, efficient student models. However, standard practices employ rejection sampling, discarding incorrect reasoning examples -- valuable, yet often underutilized data. This paper addresses the critical question: How can both positive and negative distilled reasoning traces be effectively leveraged to maximize LLM reasoning performance in an offline setting? To this end, We propose Reinforcement Distillation (REDI), a two-stage framework. Stage 1 learns from positive traces via Supervised Fine-Tuning (SFT). Stage 2 further refines the model using both positive and negative traces through our proposed REDI objective. This novel objective is a simple, reference-free loss function that outperforms established methods like DPO and SimPO in this distillation context. Our empirical evaluations demonstrate REDI's superiority over baseline Rejection Sampling SFT or SFT combined with DPO/SimPO on mathematical reasoning tasks. Notably, the Qwen-REDI-1.5B model, post-trained on just 131k positive and negative examples from the open Open-R1 dataset, achieves an 83.1% score on MATH-500 (pass@1). Its performance matches or surpasses that of DeepSeek-R1-Distill-Qwen-1.5B (a model post-trained on 800k proprietary data) across various mathematical reasoning benchmarks, establishing a new state-of-the-art for 1.5B models post-trained offline with openly available data.
Authors: Heli Ben-Hamu, Itai Gat, Daniel Severo, Niklas Nolte, Brian Karrer
Abstract: Recent masked diffusion models (MDMs) have shown competitive performance compared to autoregressive models (ARMs) for language modeling. While most literature has focused on performance enhancing sampling procedures, efficient sampling from MDMs has been scarcely explored. We make the observation that often a given sequence of partially masked tokens determines the values of multiple unknown tokens deterministically, meaning that a single prediction of a masked model holds additional information unused by standard sampling procedures. Based on this observation, we introduce EB-Sampler, a simple drop-in replacement for existing samplers, utilizing an Entropy Bounded unmasking procedure that dynamically unmasks multiple tokens in one function evaluation with predefined approximate error tolerance. We formulate the EB-Sampler as part of a broad family of adaptive samplers for which we provide an error analysis that motivates our algorithmic choices. EB-Sampler accelerates sampling from current state of the art MDMs by roughly 2-3x on standard coding and math reasoning benchmarks without loss in performance. We also validate the same procedure works well on smaller reasoning tasks including maze navigation and Sudoku, tasks ARMs often struggle with.
Authors: Joschka Braun, Carsten Eickhoff, Seyed Ali Bahrainian
Abstract: Steering vectors are a lightweight method for controlling text properties by adding a learned bias to language model activations at inference time. So far, steering vectors have predominantly been evaluated in multiple-choice settings, while their effectiveness in free-form generation tasks remains understudied. Moving "Beyond Multiple Choice," we thoroughly evaluate the effectiveness of steering vectors in adaptively controlling topical focus, sentiment, toxicity, and readability in abstractive summaries of the NEWTS dataset. We find that steering effectively controls the targeted summary properties, but high steering strengths consistently degrade both intrinsic and extrinsic text quality. Compared to steering, prompting offers weaker control, while preserving text quality. Combining steering and prompting yields the strongest control over text properties and offers the most favorable efficacy-quality trade-off at moderate steering strengths. Our results underscore the practical trade-off between control strength and text quality preservation when applying steering vectors to free-form generation tasks.
Authors: Adam Stein, Aaditya Naik, Neelay Velingker, Mayur Naik, Eric Wong
Abstract: Neuro-symbolic learning was proposed to address challenges with training neural networks for complex reasoning tasks with the added benefits of interpretability, reliability, and efficiency. Neuro-symbolic learning methods traditionally train neural models in conjunction with symbolic programs, but they face significant challenges that limit them to simplistic problems. On the other hand, purely-neural foundation models now reach state-of-the-art performance through prompting rather than training, but they are often unreliable and lack interpretability. Supplementing foundation models with symbolic programs, which we call neuro-symbolic prompting, provides a way to use these models for complex reasoning tasks. Doing so raises the question: What role does specialized model training as part of neuro-symbolic learning have in the age of foundation models? To explore this question, we highlight three pitfalls of traditional neuro-symbolic learning with respect to the compute, data, and programs leading to generalization problems. This position paper argues that foundation models enable generalizable neuro-symbolic solutions, offering a path towards achieving the original goals of neuro-symbolic learning without the downsides of training from scratch.
Authors: Shivam Saini, J\"urgen Peissig
Abstract: This contribution introduces a dataset of 7th-order Ambisonic Room Impulse Responses (HOA-RIRs), created using the Image Source Method. By employing higher-order Ambisonics, our dataset enables precise spatial audio reproduction, a critical requirement for realistic immersive audio applications. Leveraging the virtual simulation, we present a unique microphone configuration, based on the superposition principle, designed to optimize sound field coverage while addressing the limitations of traditional microphone arrays. The presented 64-microphone configuration allows us to capture RIRs directly in the Spherical Harmonics domain. The dataset features a wide range of room configurations, encompassing variations in room geometry, acoustic absorption materials, and source-receiver distances. A detailed description of the simulation setup is provided alongside for an accurate reproduction. The dataset serves as a vital resource for researchers working on spatial audio, particularly in applications involving machine learning to improve room acoustics modeling and sound field synthesis. It further provides a very high level of spatial resolution and realism crucial for tasks such as source localization, reverberation prediction, and immersive sound reproduction.
Authors: Bettina Fazzinga, Sergio Flesca, Filippo Furfaro, Luigi Pontieri, Francesco Scala
Abstract: Monitoring and analyzing process traces is a critical task for modern companies and organizations. In scenarios where there is a gap between trace events and reference business activities, this entails an interpretation problem, amounting to translating each event of any ongoing trace into the corresponding step of the activity instance. Building on a recent approach that frames the interpretation problem as an acceptance problem within an Abstract Argumentation Framework (AAF), one can elegantly analyze plausible event interpretations (possibly in an aggregated form), as well as offer explanations for those that conflict with prior process knowledge. Since, in settings where event-to-activity mapping is highly uncertain (or simply under-specified) this reasoning-based approach may yield lowly-informative results and heavy computation, one can think of discovering a sequencetagging model, trained to suggest highly-probable candidate event interpretations in a context-aware way. However, training such a model optimally may require using a large amount of manually-annotated example traces. Considering the urgent need of developing Green AI solutions enabling environmental and societal sustainability (with reduced labor/computational costs and carbon footprint), we propose a data/computation-efficient neuro-symbolic approach to the problem, where the candidate interpretations returned by the example-driven sequence tagger is refined by the AAF-based reasoner. This allows us to also leverage prior knowledge to compensate for the scarcity of example data, as confirmed by experimental results; clearly, this property is particularly useful in settings where data annotation and model optimization costs are subject to stringent constraints.
Authors: Elsen Ronando, Sozo Inoue
Abstract: In this paper, we propose a novel few-shot optimization with HED-LM (Hybrid Euclidean Distance with Large Language Models) to improve example selection for sensor-based classification tasks. While few-shot prompting enables efficient inference with limited labeled data, its performance largely depends on the quality of selected examples. HED-LM addresses this challenge through a hybrid selection pipeline that filters candidate examples based on Euclidean distance and re-ranks them using contextual relevance scored by large language models (LLMs). To validate its effectiveness, we apply HED-LM to a fatigue detection task using accelerometer data characterized by overlapping patterns and high inter-subject variability. Unlike simpler tasks such as activity recognition, fatigue detection demands more nuanced example selection due to subtle differences in physiological signals. Our experiments show that HED-LM achieves a mean macro F1-score of 69.13$\pm$10.71%, outperforming both random selection (59.30$\pm$10.13%) and distance-only filtering (67.61$\pm$11.39%). These represent relative improvements of 16.6% and 2.3%, respectively. The results confirm that combining numerical similarity with contextual relevance improves the robustness of few-shot prompting. Overall, HED-LM offers a practical solution to improve performance in real-world sensor-based learning tasks and shows potential for broader applications in healthcare monitoring, human activity recognition, and industrial safety scenarios.
Authors: Zeki Doruk Erden, Boi Faltings
Abstract: This article critically examines the foundational principles of contemporary AI methods, exploring the limitations that hinder its potential. We draw parallels between the modern AI landscape and the 20th-century Modern Synthesis in evolutionary biology, and highlight how advancements in evolutionary theory that augmented the Modern Synthesis, particularly those of Evolutionary Developmental Biology, offer insights that can inform a new design paradigm for AI. By synthesizing findings across AI and evolutionary theory, we propose a pathway to overcome existing limitations, enabling AI to achieve its aspirational goals.
Authors: Hamideh Khaleghpour, Brett McKinney
Abstract: This paper presents a unified AI framework for high-accuracy audio anomaly detection by integrating advanced noise reduction, feature extraction, and machine learning modeling techniques. The approach combines spectral subtraction and adaptive filtering to enhance audio quality, followed by feature extraction using traditional methods like MFCCs and deep embeddings from pre-trained models such as OpenL3. The modeling pipeline incorporates classical models (SVM, Random Forest), deep learning architectures (CNNs), and ensemble methods to boost robustness and accuracy. Evaluated on benchmark datasets including TORGO and LibriSpeech, the proposed framework demonstrates superior performance in precision, recall, and classification of slurred vs. normal speech. This work addresses challenges in noisy environments and real-time applications and provides a scalable solution for audio-based anomaly detection.
Authors: Korel Gundem, Juncheng Dong, Dennis Zhang, Vahid Tarokh, Zhengling Qi
Abstract: In-Context Learning (ICL) allows Large Language Models (LLMs) to adapt to new tasks with just a few examples, but their predictions often suffer from systematic biases, leading to unstable performances in classification. While calibration techniques are proposed to mitigate these biases, we show that, in the logit space, many of these methods are equivalent to merely shifting the LLM's decision boundary without having the ability to alter its orientation. This proves inadequate when biases cause the LLM to be severely misdirected. To address these limitations and provide a unifying framework, we propose Supervised Calibration (SC), a loss-minimization based framework which learns an optimal, per-class affine transformation of the LLM's predictive probabilities in the logit space without requiring external data beyond the context. By using a more expressive functional class, SC not only subsumes many existing calibration methods in ICL as special cases, but also enables the ability to alter and even completely reverse the orientation of the LLM's decision boundary. Furthermore, SC's loss-based nature facilitates the seamless integration of two purpose-built regularization techniques: context-invariance and directional trust-region. The former is designed to tackle the instability issue in ICL, while the latter controls the degree of calibration. Finally, SC delivers state-of-the-art performance over calibration baselines in the 4-shot, 8-shot, and 16-shot settings across all nine datasets for Mistral-7B-Instruct-v0.3, LLaMA-2-7B-chat, and Qwen2-7B-Instruct.
Authors: Shayan Dadman, Bernt Arild Bremdal, B{\o}rre Bang, Rune Dalmo
Abstract: This paper introduces an unsupervised framework for detecting audio patterns in musical samples (loops) through anomaly detection techniques, addressing challenges in music information retrieval (MIR). Existing methods are often constrained by reliance on handcrafted features, domain-specific limitations, or dependence on iterative user interaction. We address these limitations through an architecture combining deep feature extraction with unsupervised anomaly detection. Our approach leverages a pre-trained Hierarchical Token-semantic Audio Transformer (HTS-AT), paired with a Feature Fusion Mechanism (FFM), to generate representations from variable-length audio loops. These embeddings are processed using one-class Deep Support Vector Data Description (Deep SVDD), which learns normative audio patterns by mapping them to a compact latent hypersphere. Evaluations on curated bass and guitar datasets compare standard and residual autoencoder variants against baselines like Isolation Forest (IF) and and principle component analysis (PCA) methods. Results show our Deep SVDD models, especially the residual autoencoder variant, deliver improved anomaly separation, particularly for larger variations. This research contributes a flexible, fully unsupervised solution for processing diverse audio samples, overcoming previous structural and input limitations while enabling effective pattern identification through distance-based latent space scoring.
Authors: Kazuki Egashira, Robin Staab, Mark Vero, Jingxuan He, Martin Vechev
Abstract: With the increasing size of frontier LLMs, post-training quantization has become the standard for memory-efficient deployment. Recent work has shown that basic rounding-based quantization schemes pose security risks, as they can be exploited to inject malicious behaviors into quantized models that remain hidden in full precision. However, existing attacks cannot be applied to more complex quantization methods, such as the GGUF family used in the popular ollama and llama.cpp frameworks. In this work, we address this gap by introducing the first attack on GGUF. Our key insight is that the quantization error -- the difference between the full-precision weights and their (de-)quantized version -- provides sufficient flexibility to construct malicious quantized models that appear benign in full precision. Leveraging this, we develop an attack that trains the target malicious LLM while constraining its weights based on quantization errors. We demonstrate the effectiveness of our attack on three popular LLMs across nine GGUF quantization data types on three diverse attack scenarios: insecure code generation ($\Delta$=$88.7\%$), targeted content injection ($\Delta$=$85.0\%$), and benign instruction refusal ($\Delta$=$30.1\%$). Our attack highlights that (1) the most widely used post-training quantization method is susceptible to adversarial interferences, and (2) the complexity of quantization schemes alone is insufficient as a defense.
Authors: Mingyu Huang, Shasha Zhou, Yuxuan Chen, Ke Li
Abstract: We are living in an era of "big literature", where the volume of digital scientific publications is growing exponentially. While offering new opportunities, this also poses challenges for understanding literature landscapes, as traditional manual reviewing is no longer feasible. Recent large language models (LLMs) have shown strong capabilities for literature comprehension, yet they are incapable of offering "comprehensive, objective, open and transparent" views desired by systematic reviews due to their limited context windows and trust issues like hallucinations. Here we present LitChat, an end-to-end, interactive and conversational literature agent that augments LLM agents with data-driven discovery tools to facilitate literature exploration. LitChat automatically interprets user queries, retrieves relevant sources, constructs knowledge graphs, and employs diverse data-mining techniques to generate evidence-based insights addressing user needs. We illustrate the effectiveness of LitChat via a case study on AI4Health, highlighting its capacity to quickly navigate the users through large-scale literature landscape with data-based evidence that is otherwise infeasible with traditional means.
Authors: Sayyed Farid Ahamed, Sandip Roy, Soumya Banerjee, Marc Vucovich, Kevin Choi, Abdul Rahman, Alison Hu, Edward Bowen, Sachin Shetty
Abstract: Federated Learning (FL) is a collaborative learning framework designed to protect client data, yet it remains highly vulnerable to Intellectual Property (IP) threats. Model extraction (ME) attacks pose a significant risk to Machine Learning as a Service (MLaaS) platforms, enabling attackers to replicate confidential models by querying black-box (without internal insight) APIs. Despite FL's privacy-preserving goals, its distributed nature makes it particularly susceptible to such attacks. This paper examines the vulnerability of FL-based victim models to two types of model extraction attacks. For various federated clients built under the NVFlare platform, we implemented ME attacks across two deep learning architectures and three image datasets. We evaluate the proposed ME attack performance using various metrics, including accuracy, fidelity, and KL divergence. The experiments show that for different FL clients, the accuracy and fidelity of the extracted model are closely related to the size of the attack query set. Additionally, we explore a transfer learning based approach where pretrained models serve as the starting point for the extraction process. The results indicate that the accuracy and fidelity of the fine-tuned pretrained extraction models are notably higher, particularly with smaller query sets, highlighting potential advantages for attackers.
Authors: Zaihan Yang, Ryan Leonard, Hien Tran, Rory Driscoll, Chadbourne Davis
Abstract: Suicidal thoughts and behaviors are increasingly recognized as a critical societal concern, highlighting the urgent need for effective tools to enable early detection of suicidal risk. In this work, we develop robust machine learning models that leverage Reddit posts to automatically classify them into four distinct levels of suicide risk severity. We frame this as a multi-class classification task and propose a RoBERTa-TF-IDF-PCA Hybrid model, integrating the deep contextual embeddings from Robustly Optimized BERT Approach (RoBERTa), a state-of-the-art deep learning transformer model, with the statistical term-weighting of TF-IDF, further compressed with PCA, to boost the accuracy and reliability of suicide risk assessment. To address data imbalance and overfitting, we explore various data resampling techniques and data augmentation strategies to enhance model generalization. Additionally, we compare our model's performance against that of using RoBERTa only, the BERT model and other traditional machine learning classifiers. Experimental results demonstrate that the hybrid model can achieve improved performance, giving a best weighted $F_{1}$ score of 0.7512.
Authors: Xiaoyuan Wu, Weiran Lin, Omer Akgul, Lujo Bauer
Abstract: Large language models (LLMs) are prone to hallucinations and sensitive to prompt perturbations, often resulting in inconsistent or unreliable generated text. Different methods have been proposed to mitigate such hallucinations and fragility -- one of them being measuring the consistency (the model's confidence in the response, or likelihood of generating a similar response when resampled) of LLM responses. In previous work, measuring consistency often relied on the probability of a response appearing within a pool of resampled responses, or internal states or logits of responses. However, it is not yet clear how well these approaches approximate how humans perceive the consistency of LLM responses. We performed a user study (n=2,976) and found current methods typically do not approximate users' perceptions of LLM consistency very well. We propose a logit-based ensemble method for estimating LLM consistency, and we show that this method matches the performance of the best-performing existing metric in estimating human ratings of LLM consistency. Our results suggest that methods of estimating LLM consistency without human evaluation are sufficiently imperfect that we suggest evaluation with human input be more broadly used.
Authors: Sajid Hussain, Muhammad Sohail, Nauman Ali Khan
Abstract: Background: Federated Learning (FL) has emerged as a promising paradigm for training machine learning models while preserving data privacy. However, applying FL to Natural Language Processing (NLP) tasks presents unique challenges due to semantic heterogeneity across clients, vocabulary mismatches, and varying resource constraints on edge devices. Objectives: This paper introduces SEMFED, a novel semantic-aware resource-efficient federated learning framework specifically designed for heterogeneous NLP tasks. Methods: SEMFED incorporates three key innovations: (1) a semantic-aware client selection mechanism that balances semantic diversity with resource constraints, (2) adaptive NLP-specific model architectures tailored to device capabilities while preserving semantic information, and (3) a communication-efficient semantic feature compression technique that significantly reduces bandwidth requirements. Results: Experimental results on various NLP classification tasks demonstrate that SEMFED achieves an 80.5% reduction in communication costs while maintaining model accuracy above 98%, outperforming state-of-the-art FL approaches. Conclusion: SEMFED effectively manages heterogeneous client environments with varying computational resources, network reliability, and semantic data distributions, making it particularly suitable for real-world federated NLP deployments.
Authors: Terrance Liu, Shuyi Wang, Daniel Preotiuc-Pietro, Yash Chandarana, Chirag Gupta
Abstract: While large language models (LLMs) achieve strong performance on text-to-SQL parsing, they sometimes exhibit unexpected failures in which they are confidently incorrect. Building trustworthy text-to-SQL systems thus requires eliciting reliable uncertainty measures from the LLM. In this paper, we study the problem of providing a calibrated confidence score that conveys the likelihood of an output query being correct. Our work is the first to establish a benchmark for post-hoc calibration of LLM-based text-to-SQL parsing. In particular, we show that Platt scaling, a canonical method for calibration, provides substantial improvements over directly using raw model output probabilities as confidence scores. Furthermore, we propose a method for text-to-SQL calibration that leverages the structured nature of SQL queries to provide more granular signals of correctness, named "sub-clause frequency" (SCF) scores. Using multivariate Platt scaling (MPS), our extension of the canonical Platt scaling technique, we combine individual SCF scores into an overall accurate and calibrated score. Empirical evaluation on two popular text-to-SQL datasets shows that our approach of combining MPS and SCF yields further improvements in calibration and the related task of error detection over traditional Platt scaling.
Authors: Hadi Askari, Shivanshu Gupta, Fei Wang, Anshuman Chhabra, Muhao Chen
Abstract: Pretrained Large Language Models (LLMs) achieve strong performance across a wide range of tasks, yet exhibit substantial variability in the various layers' training quality with respect to specific downstream applications, limiting their downstream performance.It is therefore critical to estimate layer-wise training quality in a manner that accounts for both model architecture and training data. However, existing approaches predominantly rely on model-centric heuristics (such as spectral statistics, outlier detection, or uniform allocation) while overlooking the influence of data. To address these limitations, we propose LayerIF, a data-driven framework that leverages Influence Functions to quantify the training quality of individual layers in a principled and task-sensitive manner. By isolating each layer's gradients and measuring the sensitivity of the validation loss to training examples by computing layer-wise influences, we derive data-driven estimates of layer importance. Notably, our method produces task-specific layer importance estimates for the same LLM, revealing how layers specialize for different test-time evaluation tasks. We demonstrate the utility of our scores by leveraging them for two downstream applications: (a) expert allocation in LoRA-MoE architectures and (b) layer-wise sparsity distribution for LLM pruning. Experiments across multiple LLM architectures demonstrate that our model-agnostic, influence-guided allocation leads to consistent gains in task performance.
Authors: Lata Pangtey, Mohammad Zia Ur Rehman, Prasad Chaudhari, Shubhi Bansal, Nagendra Kumar
Abstract: The rapid evolution of social media has generated an overwhelming volume of user-generated content, conveying implicit opinions and contributing to the spread of misinformation. The method aims to enhance the detection of stance where misinformation can polarize user opinions. Stance detection has emerged as a crucial approach to effectively analyze underlying biases in shared information and combating misinformation. This paper proposes a novel method for \textbf{S}tance \textbf{P}rediction through a \textbf{L}abel-fused dual cross-\textbf{A}ttentive \textbf{E}motion-aware neural \textbf{Net}work (SPLAENet) in misinformative social media user-generated content. The proposed method employs a dual cross-attention mechanism and a hierarchical attention network to capture inter and intra-relationships by focusing on the relevant parts of source text in the context of reply text and vice versa. We incorporate emotions to effectively distinguish between different stance categories by leveraging the emotional alignment or divergence between the texts. We also employ label fusion that uses distance-metric learning to align extracted features with stance labels, improving the method's ability to accurately distinguish between stances. Extensive experiments demonstrate the significant improvements achieved by SPLAENet over existing state-of-the-art methods. SPLAENet demonstrates an average gain of 8.92\% in accuracy and 17.36\% in F1-score on the RumourEval dataset. On the SemEval dataset, it achieves average gains of 7.02\% in accuracy and 10.92\% in F1-score. On the P-stance dataset, it demonstrates average gains of 10.03\% in accuracy and 11.18\% in F1-score. These results validate the effectiveness of the proposed method for stance detection in the context of misinformative social media content.
Authors: St\'ephane Aroca-Ouellette, Natalie Mackraz, Barry-John Theobald, Katherine Metcalf
Abstract: Accommodating human preferences is essential for creating aligned LLM agents that deliver personalized and effective interactions. Recent work has shown the potential for LLMs acting as writing agents to infer a description of user preferences. Agent alignment then comes from conditioning on the inferred preference description. However, existing methods often produce generic preference descriptions that fail to capture the unique and individualized nature of human preferences. This paper introduces PROSE, a method designed to enhance the precision of preference descriptions inferred from user writing samples. PROSE incorporates two key elements: (1) iterative refinement of inferred preferences, and (2) verification of inferred preferences across multiple user writing samples. We evaluate PROSE with several LLMs (i.e., Qwen2.5 7B and 72B Instruct, GPT-mini, and GPT-4o) on a summarization and an email writing task. We find that PROSE more accurately infers nuanced human preferences, improving the quality of the writing agent's generations over CIPHER (a state-of-the-art method for inferring preferences) by 33\%. Lastly, we demonstrate that ICL and PROSE are complementary methods, and combining them provides up to a 9\% improvement over ICL alone.
Authors: Trenton Chang, Tobias Schnabel, Adith Swaminathan, Jenna Wiens
Abstract: Despite advances in large language models (LLMs) on reasoning and instruction-following benchmarks, it remains unclear whether they can reliably produce outputs aligned with a broad variety of user goals, a concept we refer to as steerability. The abundance of methods proposed to modify LLM behavior makes it unclear whether current LLMs are already steerable, or require further intervention. In particular, LLMs may exhibit (i) poor coverage, where rare user goals are underrepresented; (ii) miscalibration, where models overshoot requests; and (iii) side effects, where changes to one dimension of text inadvertently affect others. To systematically evaluate these failures, we introduce a framework based on a multi-dimensional goal space that models user goals and LLM outputs as vectors with dimensions corresponding to text attributes (e.g., reading difficulty). Applied to a text-rewriting task, we find that current LLMs struggle with steerability, as side effects are persistent. Interventions to improve steerability, such as prompt engineering, best-of-$N$ sampling, and reinforcement learning fine-tuning, have varying effectiveness, yet side effects remain problematic. Our findings suggest that even strong LLMs struggle with steerability, and existing alignment strategies may be insufficient. We open-source our steerability evaluation framework at https://github.com/MLD3/steerability.
Authors: Seung Gyu Jeong, Seong Eun Kim
Abstract: Lung sound classification is vital for early diagnosis of respiratory diseases. However, biomedical signals often exhibit inter-patient variability even among patients with the same symptoms, requiring a learning approach that considers individual differences. We propose a Patient-Aware Feature Alignment (PAFA) framework with two novel losses, Patient Cohesion-Separation Loss (PCSL) and Global Patient Alignment Loss (GPAL). PCSL clusters features of the same patient while separating those from other patients to capture patient variability, whereas GPAL draws each patient's centroid toward a global center, preventing feature space fragmentation. Our method achieves outstanding results on the ICBHI dataset with a score of 64.84\% for four-class and 72.08\% for two-class classification. These findings highlight PAFA's ability to capture individualized patterns and demonstrate performance gains in distinct patient clusters, offering broader applications for patient-centered healthcare.
Authors: Wenhan Dong, Tianyi Hu, Jingyi Zheng, Zhen Sun, Yuemeng Zhao, Yule Liu, Xinlei He, Xinyi Huang
Abstract: Multi-round incomplete information tasks are crucial for evaluating the lateral thinking capabilities of large language models (LLMs). Currently, research primarily relies on multiple benchmarks and automated evaluation metrics to assess these abilities. However, our study reveals novel insights into the limitations of existing methods, as they often yield misleading results that fail to uncover key issues, such as shortcut-taking behaviors, rigid patterns, and premature task termination. These issues obscure the true reasoning capabilities of LLMs and undermine the reliability of evaluations. To address these limitations, we propose a refined set of evaluation standards, including inspection of reasoning paths, diversified assessment metrics, and comparative analyses with human performance.
Authors: Harvey Dam, Jonas Knochelmann, Vinu Joseph, Ganesh Gopalakrishnan
Abstract: We introduce a method to reduce refusal rates of large language models (LLMs) on sensitive content without modifying model weights or prompts. Motivated by the observation that refusals in certain models were often preceded by the specific token sequence of a token marking the beginning of the chain-of-thought (CoT) block (
Authors: Kaveen Hiniduma, Zilinghan Li, Aditya Sinha, Ravi Madduri, Suren Byna
Abstract: Privacy-Preserving Federated Learning (PPFL) is a decentralized machine learning approach where multiple clients train a model collaboratively. PPFL preserves privacy and security of the client's data by not exchanging it. However, ensuring that data at each client is of high quality and ready for federated learning (FL) is a challenge due to restricted data access. In this paper, we introduce CADRE (Customizable Assurance of Data REadiness) for FL, a novel framework that allows users to define custom data readiness (DR) standards, metrics, rules, and remedies tailored to specific FL tasks. Our framework generates comprehensive DR reports based on the user-defined metrics, rules, and remedies to ensure datasets are optimally prepared for FL while preserving privacy. We demonstrate the framework's practical application by integrating it into an existing PPFL framework. We conducted experiments across six diverse datasets, addressing seven different DR issues. The results illustrate the framework's versatility and effectiveness in ensuring DR across various dimensions, including data quality, privacy, and fairness. This approach enhances the performance and reliability of FL models as well as utilizes valuable resources by identifying and addressing data-related issues before the training phase.
Authors: Linwei Tao, Yi-Fan Yeh, Minjing Dong, Tao Huang, Philip Torr, Chang Xu
Abstract: As large language models (LLMs) are increasingly deployed in high-stakes applications, robust uncertainty estimation is essential for ensuring the safe and trustworthy deployment of LLMs. We present the most comprehensive study to date of uncertainty estimation in LLMs, evaluating 80 models spanning open- and closed-source families, dense and Mixture-of-Experts (MoE) architectures, reasoning and non-reasoning modes, quantization variants and parameter scales from 0.6B to 671B. Focusing on three representative black-box single-pass methods, including token probability-based uncertainty (TPU), numerical verbal uncertainty (NVU), and linguistic verbal uncertainty (LVU), we systematically evaluate uncertainty calibration and selective classification using the challenging MMLU-Pro benchmark, which covers both reasoning-intensive and knowledge-based tasks. Our results show that LVU consistently outperforms TPU and NVU, offering stronger calibration and discrimination while being more interpretable. We also find that high accuracy does not imply reliable uncertainty, and that model scale, post-training, reasoning ability and quantization all influence estimation performance. Notably, LLMs exhibit better uncertainty estimates on reasoning tasks than on knowledge-heavy ones, and good calibration does not necessarily translate to effective error ranking. These findings highlight the need for multi-perspective evaluation and position LVU as a practical tool for improving the reliability of LLMs in real-world settings.
Authors: Sahil Verma, Keegan Hines, Jeff Bilmes, Charlotte Siska, Luke Zettlemoyer, Hila Gonen, Chandan Singh
Abstract: The emerging capabilities of large language models (LLMs) have sparked concerns about their immediate potential for harmful misuse. The core approach to mitigate these concerns is the detection of harmful queries to the model. Current detection approaches are fallible, and are particularly susceptible to attacks that exploit mismatched generalization of model capabilities (e.g., prompts in low-resource languages or prompts provided in non-text modalities such as image and audio). To tackle this challenge, we propose OMNIGUARD, an approach for detecting harmful prompts across languages and modalities. Our approach (i) identifies internal representations of an LLM/MLLM that are aligned across languages or modalities and then (ii) uses them to build a language-agnostic or modality-agnostic classifier for detecting harmful prompts. OMNIGUARD improves harmful prompt classification accuracy by 11.57\% over the strongest baseline in a multilingual setting, by 20.44\% for image-based prompts, and sets a new SOTA for audio-based prompts. By repurposing embeddings computed during generation, OMNIGUARD is also very efficient ($\approx 120 \times$ faster than the next fastest baseline). Code and data are available at: https://github.com/vsahil/OmniGuard.
Authors: Aashwin Mishra, Matt Seaberg, Ryan Roussel, Fred Poitevin, Jana Thayer, Daniel Ratner, Auralee Edelen, Apurva Mehta
Abstract: With the increasing brightness of Light sources, including the Diffraction-Limited brightness upgrade of APS and the high-repetition-rate upgrade of LCLS, the proposed experiments therein are becoming increasingly complex. For instance, experiments at LCLS-II-HE will require the X-ray beam to be within a fraction of a micron in diameter, with pointing stability of a few nanoradians, at the end of a kilometer-long electron accelerator, a hundred-meter-long undulator section, and tens of meters long X-ray optics. This enhancement of brightness will increase the data production rate to rival the largest data generators in the world. Without real-time active feedback control and an optimized pipeline to transform measurements to scientific information and insights, researchers will drown in a deluge of mostly useless data, and fail to extract the highly sophisticated insights that the recent brightness upgrades promise. In this article, we outline the strategy we are developing at SLAC to implement Machine Learning driven optimization, automation and real-time knowledge extraction from the electron-injector at the start of the electron accelerator, to the multidimensional X-ray optical systems, and till the experimental endstations and the high readout rate, multi-megapixel detectors at LCLS to deliver the design performance to the users. This is illustrated via examples from Accelerator, Optics and End User applications.
Authors: Giovanni Acampora, Andris Ambainis, Natalia Ares, Leonardo Banchi, Pallavi Bhardwaj, Daniele Binosi, G. Andrew D. Briggs, Tommaso Calarco, Vedran Dunjko, Jens Eisert, Olivier Ezratty, Paul Erker, Federico Fedele, Elies Gil-Fuster, Martin G\"arttner, Mats Granath, Markus Heyl, Iordanis Kerenidis, Matthias Klusch, Anton Frisk Kockum, Richard Kueng, Mario Krenn, J\"org L\"assig, Antonio Macaluso, Sabrina Maniscalco, Florian Marquardt, Kristel Michielsen, Gorka Mu\~noz-Gil, Daniel M\"ussig, Hendrik Poulsen Nautrup, Evert van Nieuwenburg, Roman Orus, J\"org Schmiedmayer, Markus Schmitt, Philipp Slusallek, Filippo Vicentini, Christof Weitenberg, Frank K. Wilhelm
Abstract: This white paper discusses and explores the various points of intersection between quantum computing and artificial intelligence (AI). It describes how quantum computing could support the development of innovative AI solutions. It also examines use cases of classical AI that can empower research and development in quantum technologies, with a focus on quantum computing and quantum sensing. The purpose of this white paper is to provide a long-term research agenda aimed at addressing foundational questions about how AI and quantum computing interact and benefit one another. It concludes with a set of recommendations and challenges, including how to orchestrate the proposed theoretical work, align quantum AI developments with quantum hardware roadmaps, estimate both classical and quantum resources - especially with the goal of mitigating and optimizing energy consumption - advance this emerging hybrid software engineering discipline, and enhance European industrial competitiveness while considering societal implications.
Authors: Zheng Gong, Ziyi Jiang, Weihao Gao, Deng Zhuo, Lan Ma
Abstract: The mRNA optimization is critical for therapeutic and biotechnological applications, since sequence features directly govern protein expression levels and efficacy. However, current methods face significant challenges in simultaneously achieving three key objectives: (1) fidelity (preventing unintended amino acid changes), (2) computational efficiency (speed and scalability), and (3) the scope of optimization variables considered (multi-objective capability). Furthermore, existing methods often fall short of comprehensively incorporating the factors related to the mRNA lifecycle and translation process, including intrinsic mRNA sequence properties, secondary structure, translation elongation kinetics, and tRNA availability. To address these limitations, we introduce \textbf{RNop}, a novel deep learning-based method for mRNA optimization. We collect a large-scale dataset containing over 3 million sequences and design four specialized loss functions, the GPLoss, CAILoss, tAILoss, and MFELoss, which simultaneously enable explicit control over sequence fidelity while optimizing species-specific codon adaptation, tRNA availability, and desirable mRNA secondary structure features. Then, we demonstrate RNop's effectiveness through extensive in silico and in vivo experiments. RNop ensures high sequence fidelity, achieves significant computational throughput up to 47.32 sequences/s, and yields optimized mRNA sequences resulting in a significant increase in protein expression for functional proteins compared to controls. RNop surpasses current methodologies in both quantitative metrics and experimental validation, enlightening a new dawn for efficient and effective mRNA design. Code and models will be available at https://github.com/HudenJear/RPLoss.
Authors: M. S\"uzen
Abstract: A proposition that connects randomness and compression put forward via Gibbs entropy over set of measurement vectors associated with a compression process. The proposition states that a lossy compression process is equivalent to {\it directed randomness} that preserves information content. The proposition originated from the observed behaviour in newly proposed {\it Dual Tomographic Compression} (DTC) compress-train framework. This is akin to tomographic reconstruction of layer weight matrices via building compressed sensed projections, so called {\it weight rays}. This tomographic approach is applied to previous and next layers in a dual fashion, that triggers neuronal-level pruning. This novel model compress-train scheme appear in iterative fashion and act as smart neural architecture search, Experiments demonstrated utility of this dual-tomography producing state-of-the-art performance with efficient compression during training, accelerating and supporting lottery ticket hypothesis. However, random compress-train iterations having similar performance demonstrated the connection between randomness and compression from statistical physics perspective, we formulated so called {\it Gibbs randomness-compression proposition}, signifying randomness-compression relationship via Gibbs entropy. Practically, DTC framework provides a promising approach for massively energy and resource efficient deep learning training approach.
Authors: Jianyang Gu, Samuel Stevens, Elizabeth G Campolongo, Matthew J Thompson, Net Zhang, Jiaman Wu, Andrei Kopanev, Zheda Mai, Alexander E. White, James Balhoff, Wasila Dahdul, Daniel Rubenstein, Hilmar Lapp, Tanya Berger-Wolf, Wei-Lun Chao, Yu Su
Abstract: Foundation models trained at scale exhibit remarkable emergent behaviors, learning new capabilities beyond their initial training objectives. We find such emergent behaviors in biological vision models via large-scale contrastive vision-language training. To achieve this, we first curate TreeOfLife-200M, comprising 214 million images of living organisms, the largest and most diverse biological organism image dataset to date. We then train BioCLIP 2 on TreeOfLife-200M to distinguish different species. Despite the narrow training objective, BioCLIP 2 yields extraordinary accuracy when applied to various biological visual tasks such as habitat classification and trait prediction. We identify emergent properties in the learned embedding space of BioCLIP 2. At the inter-species level, the embedding distribution of different species aligns closely with functional and ecological meanings (e.g., beak sizes and habitats). At the intra-species level, instead of being diminished, the intra-species variations (e.g., life stages and sexes) are preserved and better separated in subspaces orthogonal to inter-species distinctions. We provide formal proof and analyses to explain why hierarchical supervision and contrastive objectives encourage these emergent properties. Crucially, our results reveal that these properties become increasingly significant with larger-scale training data, leading to a biologically meaningful embedding space.
Authors: Neehar Kondapaneni, Oisin Mac Aodha, Pietro Perona
Abstract: We propose a method for discovering and visualizing the differences between two learned representations, enabling more direct and interpretable model comparisons. We validate our method, which we call Representational Differences Explanations (RDX), by using it to compare models with known conceptual differences and demonstrate that it recovers meaningful distinctions where existing explainable AI (XAI) techniques fail. Applied to state-of-the-art models on challenging subsets of the ImageNet and iNaturalist datasets, RDX reveals both insightful representational differences and subtle patterns in the data. Although comparison is a cornerstone of scientific analysis, current tools in machine learning, namely post hoc XAI methods, struggle to support model comparison effectively. Our work addresses this gap by introducing an effective and explainable tool for contrasting model representations.
Authors: Yuanzhe Liu, Ryan Deng, Tim Kaler, Xuhao Chen, Charles E. Leiserson, Yao Ma, Jie Chen
Abstract: Recent studies show that LLMs possess different skills and specialize in different tasks. In fact, we observe that their varied performance occur in several levels of granularity. For example, in the code optimization task, code LLMs excel at different optimization categories and no one dominates others. This observation prompts the question of how one leverages multiple LLM agents to solve a coding problem without knowing their complementary strengths a priori. We argue that a team of agents can learn from each other's successes and failures so as to improve their own performance. Thus, a lesson is the knowledge produced by an agent and passed on to other agents in the collective solution process. We propose a lesson-based collaboration framework, design the lesson solicitation--banking--selection mechanism, and demonstrate that a team of small LLMs with lessons learned can outperform a much larger LLM and other multi-LLM collaboration methods.
Authors: Aurosweta Mahapatra, Ismail Rasim Ulgen, Abinay Reddy Naini, Carlos Busso, Berrak Sisman
Abstract: Traditional anti-spoofing focuses on models and datasets built on synthetic speech with mostly neutral state, neglecting diverse emotional variations. As a result, their robustness against high-quality, emotionally expressive synthetic speech is uncertain. We address this by introducing EmoSpoof-TTS, a corpus of emotional text-to-speech samples. Our analysis shows existing anti-spoofing models struggle with emotional synthetic speech, exposing risks of emotion-targeted attacks. Even trained on emotional data, the models underperform due to limited focus on emotional aspect and show performance disparities across emotions. This highlights the need for emotion-focused anti-spoofing paradigm in both dataset and methodology. We propose GEM, a gated ensemble of emotion-specialized models with a speech emotion recognition gating network. GEM performs effectively across all emotions and neutral state, improving defenses against spoofing attacks. We release the EmoSpoof-TTS Dataset: https://emospoof-tts.github.io/Dataset/
Authors: Jonas Elsborg, Tejs Vegge, Arghya Bhowmik
Abstract: Reliably monitoring and recognizing maritime vessels based on acoustic signatures is complicated by the variability of different recording scenarios. A robust classification framework must be able to generalize across diverse acoustic environments and variable source-sensor distances. To this end, we present a deep learning model with robust performance across different recording scenarios. Using a trainable spectral front-end and temporal feature encoder to learn a Gabor filterbank, the model can dynamically emphasize different frequency components. Trained on the VTUAD hydrophone recordings from the Strait of Georgia, our model, CATFISH, achieves a state-of-the-art 96.63 % percent test accuracy across varying source-sensor distances, surpassing the previous benchmark by over 12 percentage points. We present the model, justify our architectural choices, analyze the learned Gabor filters, and perform ablation studies on sensor data fusion and attention-based pooling.
Authors: Stephan Rabanser, Ali Shahin Shamsabadi, Olive Franzese, Xiao Wang, Adrian Weller, Nicolas Papernot
Abstract: Cautious predictions -- where a machine learning model abstains when uncertain -- are crucial for limiting harmful errors in safety-critical applications. In this work, we identify a novel threat: a dishonest institution can exploit these mechanisms to discriminate or unjustly deny services under the guise of uncertainty. We demonstrate the practicality of this threat by introducing an uncertainty-inducing attack called Mirage, which deliberately reduces confidence in targeted input regions, thereby covertly disadvantaging specific individuals. At the same time, Mirage maintains high predictive performance across all data points. To counter this threat, we propose Confidential Guardian, a framework that analyzes calibration metrics on a reference dataset to detect artificially suppressed confidence. Additionally, it employs zero-knowledge proofs of verified inference to ensure that reported confidence scores genuinely originate from the deployed model. This prevents the provider from fabricating arbitrary model confidence values while protecting the model's proprietary details. Our results confirm that Confidential Guardian effectively prevents the misuse of cautious predictions, providing verifiable assurances that abstention reflects genuine model uncertainty rather than malicious intent.
Authors: Yichen Feng, Zhangchen Xu, Fengqing Jiang, Yuetai Li, Bhaskar Ramasubramanian, Luyao Niu, Bill Yuchen Lin, Radha Poovendran
Abstract: Vision language models (VLMs) are expected to perform effective multimodal reasoning and make logically coherent decisions, which is critical to tasks such as diagram understanding and spatial problem solving. However, current VLM reasoning lacks large-scale and well-structured training datasets. To bridge this gap, we propose VisualSphinx, a first-of-its-kind large-scale synthetic visual logical reasoning training data. To tackle the challenge of image synthesis with grounding answers, we propose a rule-to-image synthesis pipeline, which extracts and expands puzzle rules from seed questions and generates the code of grounding synthesis image synthesis for puzzle sample assembly. Experiments demonstrate that VLM trained using GRPO on VisualSphinx benefit from logical coherence and readability of our dataset and exhibit improved performance on logical reasoning tasks. The enhanced reasoning capabilities developed from VisualSphinx also benefit other reasoning tasks such as algebraic reasoning, arithmetic reasoning and geometry reasoning.
Authors: Bayu Adhi Tama, Mansa Krishna, Homayra Alam, Mostafa Cham, Omar Faruque, Gong Cheng, Jianwu Wang, Mathieu Morlighem, Vandana Janeja
Abstract: Understanding Greenland's subglacial topography is critical for projecting the future mass loss of the ice sheet and its contribution to global sea-level rise. However, the complex and sparse nature of observational data, particularly information about the bed topography under the ice sheet, significantly increases the uncertainty in model projections. Bed topography is traditionally measured by airborne ice-penetrating radar that measures the ice thickness directly underneath the aircraft, leaving data gap of tens of kilometers in between flight lines. This study introduces a deep learning framework, which we call as DeepTopoNet, that integrates radar-derived ice thickness observations and BedMachine Greenland data through a novel dynamic loss-balancing mechanism. Among all efforts to reconstruct bed topography, BedMachine has emerged as one of the most widely used datasets, combining mass conservation principles and ice thickness measurements to generate high-resolution bed elevation estimates. The proposed loss function adaptively adjusts the weighting between radar and BedMachine data, ensuring robustness in areas with limited radar coverage while leveraging the high spatial resolution of BedMachine predictions i.e. bed estimates. Our approach incorporates gradient-based and trend surface features to enhance model performance and utilizes a CNN architecture designed for subgrid-scale predictions. By systematically testing on the Upernavik Isstr{\o}m) region, the model achieves high accuracy, outperforming baseline methods in reconstructing subglacial terrain. This work demonstrates the potential of deep learning in bridging observational gaps, providing a scalable and efficient solution to inferring subglacial topography.
Authors: Yinong Oliver Wang, Nivedha Sivakumar, Falaah Arif Khan, Rin Metcalf Susa, Adam Golinski, Natalie Mackraz, Barry-John Theobald, Luca Zappella, Nicholas Apostoloff
Abstract: The recent rapid adoption of large language models (LLMs) highlights the critical need for benchmarking their fairness. Conventional fairness metrics, which focus on discrete accuracy-based evaluations (i.e., prediction correctness), fail to capture the implicit impact of model uncertainty (e.g., higher model confidence about one group over another despite similar accuracy). To address this limitation, we propose an uncertainty-aware fairness metric, UCerF, to enable a fine-grained evaluation of model fairness that is more reflective of the internal bias in model decisions compared to conventional fairness measures. Furthermore, observing data size, diversity, and clarity issues in current datasets, we introduce a new gender-occupation fairness evaluation dataset with 31,756 samples for co-reference resolution, offering a more diverse and suitable dataset for evaluating modern LLMs. We establish a benchmark, using our metric and dataset, and apply it to evaluate the behavior of ten open-source LLMs. For example, Mistral-7B exhibits suboptimal fairness due to high confidence in incorrect predictions, a detail overlooked by Equalized Odds but captured by UCerF. Overall, our proposed LLM benchmark, which evaluates fairness with uncertainty awareness, paves the way for developing more transparent and accountable AI systems.
Authors: Agnideep Aich, Sameera Hewage, Md Monzur Murshed, Ashit Baran Aich, Amanda Mayeaux, Asim K. Dey, Kumer P. Das, Bruce Wade
Abstract: In this paper, we introduce the A2 Copula Spatial Bayesian Neural Network (A2-SBNN), a predictive spatial model designed to map coordinates to continuous fields while capturing both typical spatial patterns and extreme dependencies. By embedding the dual-tail novel Archimedean copula viz. A2 directly into the network's weight initialization, A2-SBNN naturally models complex spatial relationships, including rare co-movements in the data. The model is trained through a calibration-driven process combining Wasserstein loss, moment matching, and correlation penalties to refine predictions and manage uncertainty. Simulation results show that A2-SBNN consistently delivers high accuracy across a wide range of dependency strengths, offering a new, effective solution for spatial data modeling beyond traditional Gaussian-based approaches.
Authors: Hidetaka Kamigaito, Ying Zhang, Jingun Kwon, Katsuhiko Hayashi, Manabu Okumura, Taro Watanabe
Abstract: Transformers deliver outstanding performance across a wide range of tasks and are now a dominant backbone architecture for large language models (LLMs). Their task-solving performance is improved by increasing parameter size, as shown in the recent studies on parameter scaling laws. Although recent mechanistic-interpretability studies have deepened our understanding of the internal behavior of Transformers by analyzing their residual stream, the relationship between these internal mechanisms and the parameter scaling laws remains unclear. To bridge this gap, we focus on layers and their size, which mainly decide the parameter size of Transformers. For this purpose, we first theoretically investigate the layers within the residual stream through a bias-diversity decomposition. The decomposition separates (i) bias, the error of each layer's output from the ground truth, and (ii) diversity, which indicates how much the outputs of each layer differ from each other. Analyzing Transformers under this theory reveals that performance improves when individual layers make predictions close to the correct answer and remain mutually diverse. We show that diversity becomes especially critical when individual layers' outputs are far from the ground truth. Finally, we introduce an information-theoretic diversity and show our main findings that adding layers enhances performance only when those layers behave differently, i.e., are diverse. We also reveal the performance gains from increasing the number of layers exhibit submodularity: marginal improvements diminish as additional layers increase, mirroring the logarithmic convergence predicted by the parameter scaling laws. Experiments on multiple semantic-understanding tasks with various LLMs empirically confirm the theoretical properties derived in this study.
Authors: Matthew Raffel, Victor Agostinelli, Lizhong Chen
Abstract: This paper discusses the construction, fine-tuning, and deployment of BeaverTalk, a cascaded system for speech-to-text translation as part of the IWSLT 2025 simultaneous translation task. The system architecture employs a VAD segmenter for breaking a speech stream into segments, Whisper Large V2 for automatic speech recognition (ASR), and Gemma 3 12B for simultaneous translation. Regarding the simultaneous translation LLM, it is fine-tuned via low-rank adaptors (LoRAs) for a conversational prompting strategy that leverages a single prior-sentence memory bank from the source language as context. The cascaded system participated in the English$\rightarrow$German and English$\rightarrow$Chinese language directions for both the low and high latency regimes. In particular, on the English$\rightarrow$German task, the system achieves a BLEU of 24.64 and 27.83 at a StreamLAAL of 1837.86 and 3343.73, respectively. Then, on the English$\rightarrow$Chinese task, the system achieves a BLEU of 34.07 and 37.23 at a StreamLAAL of 2216.99 and 3521.35, respectively.
Authors: Sergei S. Kuzmin, Ivan V. Dyakonov, Stanislav S. Straupe
Abstract: We have developed an algorithm that constructs a model of a reconfigurable optical interferometer, independent of specific architectural constraints. The programming of unitary transformations on the interferometer's optical modes relies on either an analytical method for deriving the unitary matrix from a set of phase shifts or an optimization routine when such decomposition is not available. Our algorithm employs a supervised learning approach, aligning the interferometer model with a training set derived from the device being studied. A straightforward optimization procedure leverages this trained model to determine the phase shifts of the interferometer with a specific architecture, obtaining the required unitary transformation. This approach enables the effective tuning of interferometers without requiring a precise analytical solution, paving the way for the exploration of new interferometric circuit architectures.
Authors: Yasaman Jafari, Zixian Wang, Leon Bergen, Taylor Berg-Kirkpatrick
Abstract: We investigate whether hidden states from Structured State Space Models (SSMs) can be merged post-hoc to support downstream reasoning. Inspired by model souping, we propose a strategy where documents are encoded independently and their representations are pooled -- via simple operations like averaging -- into a single context state. This approach, which we call document souping, enables modular encoding and reuse without reprocessing the full input for each query. We finetune Mamba2 models to produce soupable representations and find that they support multi-hop QA, sparse retrieval, and long-document reasoning with strong accuracy. On HotpotQA, souping ten independently encoded documents nearly matches the performance of a cross-encoder trained on the same inputs.
Authors: L\'eo And\'eol, Luca Mossina, Adrien Mazoyer, S\'ebastien Gerchinovitz
Abstract: Recent advances in object detectors have led to their adoption for industrial uses. However, their deployment in critical applications is hindered by the inherent lack of reliability of neural networks and the complex structure of object detection models. To address these challenges, we turn to Conformal Prediction, a post-hoc procedure which offers statistical guarantees that are valid for any dataset size, without requiring prior knowledge on the model or data distribution. Our contribution is manifold: first, we formally define the problem of Conformal Object Detection (COD) and introduce a novel method, Sequential Conformal Risk Control (SeqCRC), that extends the statistical guarantees of Conformal Risk Control (CRC) to two sequential tasks with two parameters, as required in the COD setting. Then, we propose loss functions and prediction sets suited to applying CRC to different applications and certification requirements. Finally, we present a conformal toolkit, enabling replication and further exploration of our methods. Using this toolkit, we perform extensive experiments, yielding a benchmark that validates the investigated methods and emphasizes trade-offs and other practical consequences.
Authors: Kamyar Barakati, Yu Liu, Hiroshi Funakubo, Sergei V. Kalinin
Abstract: Domain-wall dynamics in ferroelectric materials are strongly position-dependent since each polar interface is locked into a unique local microstructure. This necessitates spatially resolved studies of the wall-pinning using scanning-probe microscopy techniques. The pinning centers and preexisting domain walls are usually sparse within image plane, precluding the use of dense hyperspectral imaging modes and requiring time-consuming human experimentation. Here, a large area epitaxial PbTiO$_3$ film on cubic KTaO$_3$ were investigated to quantify the electric field driven dynamics of the polar-strain domain structures using ML-controlled automated Piezoresponse Force Microscopy. Analysis of 1500 switching events reveals that domain wall displacement depends not only on field parameters but also on the local ferroelectric-ferroelastic configuration. For example, twin boundaries in polydomains regions like a$_1^-$/$c^+$ $\parallel$ a$_2^-$/$c^-$ stay pinned up to a certain level of bias magnitude and change only marginally as the bias increases from 20V to 30V, whereas single variant boundaries like a$_2^+$/$c^+$ $\parallel$ a$_2^-$/$c^-$ stack are already activated at 20V. These statistics on the possible ferroelectric and ferroelastic wall orientations, together with the automated, high-throughput AFM workflow, can be distilled into a predictive map that links domain configurations to pulse parameters. This microstructure-specific rule set forms the foundation for designing ferroelectric memories.
Authors: Isaiah A. Moses, Chen Chen, Joan M. Redwing, Wesley F. Reinhart
Abstract: The growth and characterization of materials using empirical optimization typically requires a significant amount of expert time, experience, and resources. Several complementary characterization methods are routinely performed to determine the quality and properties of a grown sample. Machine learning (ML) can support the conventional approaches by using historical data to guide and provide speed and efficiency to the growth and characterization of materials. Specifically, ML can provide quantitative information from characterization data that is typically obtained from a different modality. In this study, we have investigated the feasibility of projecting the quantitative metric from microscopy measurements, such as atomic force microscopy (AFM), using data obtained from spectroscopy measurements, like Raman spectroscopy. Generative models were also trained to generate the full and specific features of the Raman and photoluminescence spectra from each other and the AFM images of the thin film MoS$_2$. The results are promising and have provided a foundational guide for the use of ML for the cross-modal characterization of materials for their accelerated, efficient, and cost-effective discovery.
Authors: Victor Li, Baiting Chen, Yuzhen Mao, Qi Lei, Zhun Deng
Abstract: Calibrating blackbox machine learning models to achieve risk control is crucial to ensure reliable decision-making. A rich line of literature has been studying how to calibrate a model so that its predictions satisfy explicit finite-sample statistical guarantees under a fixed, static, and unknown data-generating distribution. However, prediction-supported decisions may influence the outcome they aim to predict, a phenomenon named performativity of predictions, which is commonly seen in social science and economics. In this paper, we introduce Performative Risk Control, a framework to calibrate models to achieve risk control under performativity with provable theoretical guarantees. Specifically, we provide an iteratively refined calibration process, where we ensure the predictions are improved and risk-controlled throughout the process. We also study different types of risk measures and choices of tail bounds. Lastly, we demonstrate the effectiveness of our framework by numerical experiments on the task of predicting credit default risk. To the best of our knowledge, this work is the first one to study statistically rigorous risk control under performativity, which will serve as an important safeguard against a wide range of strategic manipulation in decision-making processes.
Authors: Mohammad Shah Alam, William Ott, Ilya Timofeyev
Abstract: In this paper, we explore the predictive capabilities of echo state networks (ESNs) for the generalized Kuramoto-Sivashinsky (gKS) equation, an archetypal nonlinear PDE that exhibits spatiotemporal chaos. We introduce a novel methodology that integrates ESNs with transfer learning, aiming to enhance predictive performance across various parameter regimes of the gKS model. Our research focuses on predicting changes in long-term statistical patterns of the gKS model that result from varying the dispersion relation or the length of the spatial domain. We use transfer learning to adapt ESNs to different parameter settings and successfully capture changes in the underlying chaotic attractor.
Authors: Alina Devkota, Annahita Amireskandari, Joel Palko, Shyam Thakkar, Donald Adjeroh, Xiajun Jiang, Binod Bhattarai, Prashnna K. Gyawali
Abstract: Gastrointestinal (GI) endoscopy is essential in identifying GI tract abnormalities in order to detect diseases in their early stages and improve patient outcomes. Although deep learning has shown success in supporting GI diagnostics and decision-making, these models require curated datasets with labels that are expensive to acquire. Foundation models offer a promising solution by learning general-purpose representations, which can be finetuned for specific tasks, overcoming data scarcity. Developing foundation models for medical imaging holds significant potential, but the sensitive and protected nature of medical data presents unique challenges. Foundation model training typically requires extensive datasets, and while hospitals generate large volumes of data, privacy restrictions prevent direct data sharing, making foundation model training infeasible in most scenarios. In this work, we propose a FL framework for training foundation models for gastroendoscopy imaging, enabling data to remain within local hospital environments while contributing to a shared model. We explore several established FL algorithms, assessing their suitability for training foundation models without relying on task-specific labels, conducting experiments in both homogeneous and heterogeneous settings. We evaluate the trained foundation model on three critical downstream tasks--classification, detection, and segmentation--and demonstrate that it achieves improved performance across all tasks, highlighting the effectiveness of our approach in a federated, privacy-preserving setting.
Authors: Ananya Omanwar, Fady Alajaji, Tam\'as Linder
Abstract: Given finite-dimensional random vectors $Y$, $X$, and $Z$ that form a Markov chain in that order (i.e., $Y \to X \to Z$), we derive upper bounds on the excess minimum risk using generalized information divergence measures. Here, $Y$ is a target vector to be estimated from an observed feature vector $X$ or its stochastically degraded version $Z$. The excess minimum risk is defined as the difference between the minimum expected loss in estimating $Y$ from $X$ and from $Z$. We present a family of bounds that generalize the mutual information based bound of Gy\"orfi et al. (2023), using the R\'enyi and $\alpha$-Jensen-Shannon divergences, as well as Sibson's mutual information. Our bounds are similar to those developed by Modak et al. (2021) and Aminian et al. (2024) for the generalization error of learning algorithms. However, unlike these works, our bounds do not require the sub-Gaussian parameter to be constant and therefore apply to a broader class of joint distributions over $Y$, $X$, and $Z$. We also provide numerical examples under both constant and non-constant sub-Gaussianity assumptions, illustrating that our generalized divergence based bounds can be tighter than the one based on mutual information for certain regimes of the parameter $\alpha$.
Authors: Kai Fukami, Ryo Araki
Abstract: We perform an information-theoretic mode decomposition for separated wakes around a wing. The current data-driven approach based on a neural network referred to as deep sigmoidal flow enables the extraction of an informative component from a given flow field snapshot with respect to a target variable at a future time stamp, thereby capturing the causality as a time-varying modal structure. We consider three examples of separated flows around a NACA0012 airfoil, namely, 1. laminar periodic wake at post-stall angles of attack, 2. strong vortex-airfoil interactions, and 3. a turbulent wake in a spanwise-periodic domain. The present approach reveals informative vortical structures associated with a time-varying lift response. For the periodic shedding cases, the informative structures vary in time corresponding to the fluctuation level from their mean values. With the second example of vortex-airfoil interactions, how the effect of vortex gust on a wing emerges in the lift response over time is identified in an interpretable manner. Furthermore, for the case of turbulent wake, the present model highlights structures near the wing and vortex cores as informative components based solely on the information metric without any prior knowledge of aerodynamics and length scales. This study provides causality-based insights into a range of unsteady aerodynamic problems.
Authors: Ricardo Baptista, Andrew M. Stuart, Son Tran
Abstract: Multimodal contrastive learning is a methodology for linking different data modalities; the canonical example is linking image and text data. The methodology is typically framed as the identification of a set of encoders, one for each modality, that align representations within a common latent space. In this work, we focus on the bimodal setting and interpret contrastive learning as the optimization of (parameterized) encoders that define conditional probability distributions, for each modality conditioned on the other, consistent with the available data. This provides a framework for multimodal algorithms such as crossmodal retrieval, which identifies the mode of one of these conditional distributions, and crossmodal classification, which is similar to retrieval but includes a fine-tuning step to make it task specific. The framework we adopt also gives rise to crossmodal generative models. This probabilistic perspective suggests two natural generalizations of contrastive learning: the introduction of novel probabilistic loss functions, and the use of alternative metrics for measuring alignment in the common latent space. We study these generalizations of the classical approach in the multivariate Gaussian setting. In this context we view the latent space identification as a low-rank matrix approximation problem. This allows us to characterize the capabilities of loss functions and alignment metrics to approximate natural statistics, such as conditional means and covariances; doing so yields novel variants on contrastive learning algorithms for specific mode-seeking and for generative tasks. The framework we introduce is also studied through numerical experiments on multivariate Gaussians, the labeled MNIST dataset, and on a data assimilation application arising in oceanography.
Authors: Ya\c{s}ar Utku Al\c{c}alar, Mehmet Ak\c{c}akaya
Abstract: Physics-driven deep learning (PD-DL) models have proven to be a powerful approach for improved reconstruction of rapid MRI scans. In order to train these models in scenarios where fully-sampled reference data is unavailable, self-supervised learning has gained prominence. However, its application at high acceleration rates frequently introduces artifacts, compromising image fidelity. To mitigate this shortcoming, we propose a novel way to train PD-DL networks via carefully-designed perturbations. In particular, we enhance the k-space masking idea of conventional self-supervised learning with a novel consistency term that assesses the model's ability to accurately predict the added perturbations in a sparse domain, leading to more reliable and artifact-free reconstructions. The results obtained from the fastMRI knee and brain datasets show that the proposed training strategy effectively reduces aliasing artifacts and mitigates noise amplification at high acceleration rates, outperforming state-of-the-art self-supervised methods both visually and quantitatively.
Authors: Zijie Xu, Tong Bu, Zecheng Hao, Jianhao Ding, Zhaofei Yu
Abstract: Spiking Neural Networks (SNNs) offer low-latency and energy-efficient decision making through neuromorphic hardware, making them compelling for Reinforcement Learning (RL) in resource-constrained edge devices. Recent studies in this field directly replace Artificial Neural Networks (ANNs) by SNNs in existing RL frameworks, overlooking whether the RL algorithm is suitable for SNNs. However, most RL algorithms in continuous control are designed tailored to ANNs, including the target network soft updates mechanism, which conflict with the discrete, non-differentiable dynamics of SNN spikes. We identify that this mismatch destabilizes SNN training in continuous control tasks. To bridge this gap between discrete SNN and continuous control, we propose a novel proxy target framework. The continuous and differentiable dynamics of the proxy target enable smooth updates, bypassing the incompatibility of SNN spikes, stabilizing the RL algorithms. Since the proxy network operates only during training, the SNN retains its energy efficiency during deployment without inference overhead. Extensive experiments on continuous control benchmarks demonstrate that compared to vanilla SNNs, the proxy target framework enables SNNs to achieve up to 32% higher performance across different spiking neurons. Notably, we are the first to surpass ANN performance in continuous control with simple Leaky-Integrate-and-Fire (LIF) neurons. This work motivates a new class of SNN-friendly RL algorithms tailored to SNN's characteristics, paving the way for neuromorphic agents that combine high performance with low power consumption.
Authors: Ryota Miyano, Yuki Arase
Abstract: This study proposes a simple yet effective LoRA merge method to achieve LLM adaptation for low-resource language generation tasks. The LoRA merge technique, which integrates multiple LoRA modules trained on different tasks, has gained attention as an effective and efficient approach for adapting LLMs to target tasks. However, previous methods are limited in adaptability as they keep the LoRA parameters frozen. Additionally, the low-resource problem has been out of their scope. We propose a LoRA merge method that updates and prunes LoRA parameters through fine-tuning with minimal target task data, which allows finer-grained adjustments of LoRA parameters and enhancement of task adaptability. Extensive experiments have been conducted taking summarization as a benchmark task. Our datasets cover various domains and multiple languages of English and Japanese. The results confirm that the proposed method achieves significant and consistent improvements in task adaptability over the previous methods.
Authors: Jiarui Lu, Xiaoyin Chen, Stephen Zhewen Lu, Aur\'elie Lozano, Vijil Chenthamarakshan, Payel Das, Jian Tang
Abstract: Protein dynamics play a crucial role in protein biological functions and properties, and their traditional study typically relies on time-consuming molecular dynamics (MD) simulations conducted in silico. Recent advances in generative modeling, particularly denoising diffusion models, have enabled efficient accurate protein structure prediction and conformation sampling by learning distributions over crystallographic structures. However, effectively integrating physical supervision into these data-driven approaches remains challenging, as standard energy-based objectives often lead to intractable optimization. In this paper, we introduce Energy-based Alignment (EBA), a method that aligns generative models with feedback from physical models, efficiently calibrating them to appropriately balance conformational states based on their energy differences. Experimental results on the MD ensemble benchmark demonstrate that EBA achieves state-of-the-art performance in generating high-quality protein ensembles. By improving the physical plausibility of generated structures, our approach enhances model predictions and holds promise for applications in structural biology and drug discovery.
Authors: Fangyikang Wang, Hubery Yin, Lei Qian, Yinan Li, Shaobin Zhuang, Huminhao Zhu, Yilin Zhang, Yanlong Tang, Chao Zhang, Hanbin Zhao, Hui Qian, Chen Li
Abstract: The diffusion models (DMs) have demonstrated the remarkable capability of generating images via learning the noised score function of data distribution. Current DM sampling techniques typically rely on first-order Langevin dynamics at each noise level, with efforts concentrated on refining inter-level denoising strategies. While leveraging additional second-order Hessian geometry to enhance the sampling quality of Langevin is a common practice in Markov chain Monte Carlo (MCMC), the naive attempts to utilize Hessian geometry in high-dimensional DMs lead to quadratic-complexity computational costs, rendering them non-scalable. In this work, we introduce a novel Levenberg-Marquardt-Langevin (LML) method that approximates the diffusion Hessian geometry in a training-free manner, drawing inspiration from the celebrated Levenberg-Marquardt optimization algorithm. Our approach introduces two key innovations: (1) A low-rank approximation of the diffusion Hessian, leveraging the DMs' inherent structure and circumventing explicit quadratic-complexity computations; (2) A damping mechanism to stabilize the approximated Hessian. This LML approximated Hessian geometry enables the diffusion sampling to execute more accurate steps and improve the image generation quality. We further conduct a theoretical analysis to substantiate the approximation error bound of low-rank approximation and the convergence property of the damping mechanism. Extensive experiments across multiple pretrained DMs validate that the LML method significantly improves image generation quality, with negligible computational overhead.
Authors: Bowen Dong, Minheng Ni, Zitong Huang, Guanglei Yang, Wangmeng Zuo, Lei Zhang
Abstract: Multimodal hallucination in multimodal large language models (MLLMs) restricts the correctness of MLLMs. However, multimodal hallucinations are multi-sourced and arise from diverse causes. Existing benchmarks fail to adequately distinguish between perception-induced hallucinations and reasoning-induced hallucinations. This failure constitutes a significant issue and hinders the diagnosis of multimodal reasoning failures within MLLMs. To address this, we propose the {\dataset} benchmark, which isolates reasoning hallucinations by constructing questions where input images are correctly perceived by MLLMs yet reasoning errors persist. {\dataset} introduces multi-granular evaluation metrics: accuracy, factuality, and LLMs hallucination score for hallucination quantification. Our analysis reveals that (1) the model scale, data scale, and training stages significantly affect the degree of logical, fabrication, and factual hallucinations; (2) current MLLMs show no effective improvement on spatial hallucinations caused by misinterpreted spatial relationships, indicating their limited visual reasoning capabilities; and (3) question types correlate with distinct hallucination patterns, highlighting targeted challenges and potential mitigation strategies. To address these challenges, we propose {\method}, a method that combines curriculum reinforcement fine-tuning to encourage models to generate logic-consistent reasoning chains by stepwise reducing learning difficulty, and collaborative hint inference to reduce reasoning complexity. {\method} establishes a baseline on {\dataset}, and reduces the logical hallucinations in original base models.
Authors: Sana Ebrahimi, Mohsen Dehghankar, Abolfazl Asudeh
Abstract: While multi-agent LLM systems show strong capabilities in various domains, they are highly vulnerable to adversarial and low-performing agents. To resolve this issue, in this paper, we introduce a general and adversary-resistant multi-agent LLM framework based on credibility scoring. We model the collaborative query-answering process as an iterative game, where the agents communicate and contribute to a final system output. Our system associates a credibility score that is used when aggregating the team outputs. The credibility scores are learned gradually based on the past contributions of each agent in query answering. Our experiments across multiple tasks and settings demonstrate our system's effectiveness in mitigating adversarial influence and enhancing the resilience of multi-agent cooperation, even in the adversary-majority settings.
Authors: Nir Endy, Idan Daniel Grosbard, Yuval Ran-Milo, Yonatan Slutzky, Itay Tshuva, Raja Giryes
Abstract: This paper investigates the flow of factual information in Mamba State-Space Model (SSM)-based language models. We rely on theoretical and empirical connections to Transformer-based architectures and their attention mechanisms. Exploiting this relationship, we adapt attentional interpretability techniques originally developed for Transformers--specifically, the Attention Knockout methodology--to both Mamba-1 and Mamba-2. Using them we trace how information is transmitted and localized across tokens and layers, revealing patterns of subject-token information emergence and layer-wise dynamics. Notably, some phenomena vary between mamba models and Transformer based models, while others appear universally across all models inspected--hinting that these may be inherent to LLMs in general. By further leveraging Mamba's structured factorization, we disentangle how distinct "features" either enable token-to-token information exchange or enrich individual tokens, thus offering a unified lens to understand Mamba internal operations.
Authors: Yang Sui, Qi Xu, Yang Bai, Annie Qu
Abstract: Multi-task learning (MTL) has become an essential machine learning tool for addressing multiple learning tasks simultaneously and has been effectively applied across fields such as healthcare, marketing, and biomedical research. However, to enable efficient information sharing across tasks, it is crucial to leverage both shared and heterogeneous information. Despite extensive research on MTL, various forms of heterogeneity, including distribution and posterior heterogeneity, present significant challenges. Existing methods often fail to address these forms of heterogeneity within a unified framework. In this paper, we propose a dual-encoder framework to construct a heterogeneous latent factor space for each task, incorporating a task-shared encoder to capture common information across tasks and a task-specific encoder to preserve unique task characteristics. Additionally, we explore the intrinsic similarity structure of the coefficients corresponding to learned latent factors, allowing for adaptive integration across tasks to manage posterior heterogeneity. We introduce a unified algorithm that alternately learns the task-specific and task-shared encoders and coefficients. In theory, we investigate the excess risk bound for the proposed MTL method using local Rademacher complexity and apply it to a new but related task. Through simulation studies, we demonstrate that the proposed method outperforms existing data integration methods across various settings. Furthermore, the proposed method achieves superior predictive performance for time to tumor doubling across five distinct cancer types in PDX data.
Authors: Quinn Lanners, Cynthia Rudin, Alexander Volfovsky, Harsh Parikh
Abstract: Data fusion techniques integrate information from heterogeneous data sources to improve learning, generalization, and decision making across data sciences. In causal inference, these methods leverage rich observational data to improve causal effect estimation, while maintaining the trustworthiness of randomized controlled trials. Existing approaches often relax the strong no unobserved confounding assumption by instead assuming exchangeability of counterfactual outcomes across data sources. However, when both assumptions simultaneously fail - a common scenario in practice - current methods cannot identify or estimate causal effects. We address this limitation by proposing a novel partial identification framework that enables researchers to answer key questions such as: Is the causal effect positive or negative? and How severe must assumption violations be to overturn this conclusion? Our approach introduces interpretable sensitivity parameters that quantify assumption violations and derives corresponding causal effect bounds. We develop doubly robust estimators for these bounds and operationalize breakdown frontier analysis to understand how causal conclusions change as assumption violations increase. We apply our framework to the Project STAR study, which investigates the effect of classroom size on students' third-grade standardized test performance. Our analysis reveals that the Project STAR results are robust to simultaneous violations of key assumptions, both on average and across various subgroups of interest. This strengthens confidence in the study's conclusions despite potential unmeasured biases in the data.
Authors: Yi Gu
Abstract: T-distributed stochastic neighbor embedding (t-SNE) is a well-known algorithm for visualizing high-dimensional data by finding low-dimensional representations. In this paper, we study the convergence of t-SNE with generalized kernels and extend the results of Auffinger and Fletcher in 2023. Our work starts by giving a concrete formulation of generalized input and output kernels. Then we prove that under certain conditions, the t-SNE algorithm converges to an equilibrium distribution for a wide range of input and output kernels as the number of data points diverges.
Authors: Jingjing Liu, Jiashun Jin, Xianchao Xiu, Jianhua Zhang, Wanquan Liu
Abstract: Remote sensing image (RSI) denoising is an important topic in the field of remote sensing. Despite the impressive denoising performance of RSI denoising methods, most current deep learning-based approaches function as black boxes and lack integration with physical information models, leading to limited interpretability. Additionally, many methods may struggle with insufficient attention to non-local self-similarity in RSI and require tedious tuning of regularization parameters to achieve optimal performance, particularly in conventional iterative optimization approaches. In this paper, we first propose a novel RSI denoising method named sparse tensor-aided representation network (STAR-Net), which leverages a low-rank prior to effectively capture the non-local self-similarity within RSI. Furthermore, we extend STAR-Net to a sparse variant called STAR-Net-S to deal with the interference caused by non-Gaussian noise in original RSI for the purpose of improving robustness. Different from conventional iterative optimization, we develop an alternating direction method of multipliers (ADMM)-guided deep unrolling network, in which all regularization parameters can be automatically learned, thus inheriting the advantages of both model-based and deep learning-based approaches and successfully addressing the above-mentioned shortcomings. Comprehensive experiments on synthetic and real-world datasets demonstrate that STAR-Net and STAR-Net-S outperform state-of-the-art RSI denoising methods.
Authors: Alessio Giorlandino, Sebastian Goldt
Abstract: Finding the right initialisation for neural networks is crucial to ensure smooth training and good performance. In transformers, the wrong initialisation can lead to one of two failure modes of self-attention layers: rank collapse, where all tokens collapse into similar representations, and entropy collapse, where highly concentrated attention scores lead to training instability. While the right initialisation has been extensively studied in feed-forward networks, an exact description of signal propagation through a full transformer block has so far been lacking. Here, we provide an analytical theory of signal propagation through vanilla transformer blocks with self-attention layers, layer normalisation, skip connections and ReLU MLP. To treat the self-attention layer, we draw on a formal parallel with the Random Energy Model from statistical physics. We identify and characterise two regimes governed by the variance of the query and key initialisations: a low-variance regime, where we recover the known rank collapse behaviour; and a previously unexplored high-variance regime, where signal is preserved but \textit{entropy collapse} occurs. In the low-variance regime, we calculate the critical strength for the residual connection to ensure signal propagation. Our theory yields trainability diagrams that identify the correct choice of initialisation hyper-parameters for a given architecture. Experiments with BERT-style models trained on TinyStories validate our predictions. Our theoretical framework gives a unified perspective on the two failure modes of self-attention and gives quantitative predictions on the scale of both weights and residual connections that guarantees smooth training.
Authors: Minsu Kang, Seolhee Lee, Choonghyeon Lee, Namhyun Cho
Abstract: Human to non-human voice conversion (H2NH-VC) transforms human speech into animal or designed vocalizations. Unlike prior studies focused on dog-sounds and 16 or 22.05kHz audio transformation, this work addresses a broader range of non-speech sounds, including natural sounds (lion-roars, birdsongs) and designed voice (synthetic growls). To accomodate generation of diverse non-speech sounds and 44.1kHz high-quality audio transformation, we introduce a preprocessing pipeline and an improved CVAE-based H2NH-VC model, both optimized for human and non-human voices. Experimental results showed that the proposed method outperformed baselines in quality, naturalness, and similarity MOS, achieving effective voice conversion across diverse non-human timbres. Demo samples are available at https://nc-ai.github.io/speech/publications/nonhuman-vc/
URLs: https://nc-ai.github.io/speech/publications/nonhuman-vc/
Authors: Gilles Quentin Hacheme, Girmaw Abebe Tadesse, Caleb Robinson, Akram Zaytar, Rahul Dodhia, Juan M. Lavista Ferres
Abstract: Classifying geospatial imagery remains a major bottleneck for applications such as disaster response and land-use monitoring-particularly in regions where annotated data is scarce or unavailable. Existing tools (e.g., RS-CLIP) that claim zero-shot classification capabilities for satellite imagery nonetheless rely on task-specific pretraining and adaptation to reach competitive performance. We introduce GeoVision Labeler (GVL), a strictly zero-shot classification framework: a vision Large Language Model (vLLM) generates rich, human-readable image descriptions, which are then mapped to user-defined classes by a conventional Large Language Model (LLM). This modular, and interpretable pipeline enables flexible image classification for a large range of use cases. We evaluated GVL across three benchmarks-SpaceNet v7, UC Merced, and RESISC45. It achieves up to 93.2% zero-shot accuracy on the binary Buildings vs. No Buildings task on SpaceNet v7. For complex multi-class classification tasks (UC Merced, RESISC45), we implemented a recursive LLM-driven clustering to form meta-classes at successive depths, followed by hierarchical classification-first resolving coarse groups, then finer distinctions-to deliver competitive zero-shot performance. GVL is open-sourced at https://github.com/microsoft/geo-vision-labeler to catalyze adoption in real-world geospatial workflows.
Authors: Xu Wang, Zihao Li, Benyou Wang, Yan Hu, Difan Zou
Abstract: Large language models (LLMs) store vast amounts of information, making them powerful yet raising privacy and safety concerns when selective knowledge removal is required. Existing unlearning strategies, ranging from gradient-based fine-tuning and model editing to sparse autoencoder (SAE) steering, either lack interpretability or fail to provide a robust defense against adversarial prompts. We propose SAE-Guided Subspace Projection Unlearning (SSPU), a novel framework that leverages SAE features to drive targeted updates in the model's parameter space, enabling precise, interpretable, and robust unlearning. SSPU's three-stage pipeline performs data-driven layer and feature selection, subspace construction via QR decomposition, and constrained optimization that controls activations into an "irrelevant" subspace while preserving retained knowledge. Overall, we use SAE features to construct a subspace that supervises unlearning, refining the loss and adding a regularization term to guide interpretable parameter updates. In experiments on the WMDP-Cyber forget set and three utility benchmarks (MMLU, TruthfulQA, GSM8K), SSPU reduces harmful knowledge accuracy by 3.22% compared to the strongest baseline. It also improves adversarial robustness, lowering malicious accuracy under jailbreak prompts compared to baselines. Our findings expose the limitations of prior unlearning methods and demonstrate how interpretable subspace-guided optimization can achieve robust, controllable model behavior.
Authors: Giovanny C-Londo\~no, Javier S\'anchez, \'Angel Rodr\'iguez-Santana
Abstract: Oceanographic forecasting impacts various sectors of society by supporting environmental conservation and economic activities. Based on global circulation models, traditional forecasting methods are computationally expensive and slow, limiting their ability to provide rapid forecasts. Recent advances in deep learning offer faster and more accurate predictions, although these data-driven models are often trained with global data from numerical simulations, which may not reflect reality. The emergence of such models presents great potential for improving ocean prediction at a subregional domain. However, their ability to predict fine-scale ocean processes, like mesoscale structures, remains largely unknown. This work aims to adapt a graph neural network initially developed for global weather forecasting to improve subregional ocean prediction, specifically focusing on the Canary Current upwelling system. The model is trained with satellite data and compared to state-of-the-art physical ocean models to assess its performance in capturing ocean dynamics. Our results show that the deep learning model surpasses traditional methods in precision despite some challenges in upwelling areas. It demonstrated superior performance in reducing RMSE errors compared to ConvLSTM and the GLORYS reanalysis, particularly in regions with complex oceanic dynamics such as Cape Ghir, Cape Bojador, and Cape Blanc. The model achieved improvements of up to 26.5% relative to ConvLSTM and error reductions of up to 76% in 5-day forecasts compared to the GLORYS reanalysis at these critical locations, highlighting its enhanced capability to capture spatial variability and improve predictive accuracy in complex areas. These findings suggest the viability of adapting meteorological data-driven models for improving subregional medium-term ocean forecasting.
Authors: Heejo Kong, Sung-Jin Kim, Gunho Jung, Seong-Whan Lee
Abstract: Conventional semi-supervised learning (SSL) ideally assumes that labeled and unlabeled data share an identical class distribution, however in practice, this assumption is easily violated, as unlabeled data often includes unknown class data, i.e., outliers. The outliers are treated as noise, considerably degrading the performance of SSL models. To address this drawback, we propose a novel framework, Diversify and Conquer (DAC), to enhance SSL robustness in the context of open-set semi-supervised learning. In particular, we note that existing open-set SSL methods rely on prediction discrepancies between inliers and outliers from a single model trained on labeled data. This approach can be easily failed when the labeled data is insufficient, leading to performance degradation that is worse than naive SSL that do not account for outliers. In contrast, our approach exploits prediction disagreements among multiple models that are differently biased towards the unlabeled distribution. By leveraging the discrepancies arising from training on unlabeled data, our method enables robust outlier detection even when the labeled data is underspecified. Our key contribution is constructing a collection of differently biased models through a single training process. By encouraging divergent heads to be differently biased towards outliers while making consistent predictions for inliers, we exploit the disagreement among these heads as a measure to identify unknown concepts. Our code is available at https://github.com/heejokong/DivCon.
Authors: Manojlo Vukovic, Dusan Jakovetic, Dragana Bajovic, Soummya Kar
Abstract: We consider a standard distributed optimization problem in which networked nodes collaboratively minimize the sum of their locally known convex costs. For this setting, we address for the first time the fundamental problem of design and analysis of distributed methods to solve the above problem when inter-node communication is subject to \emph{heavy-tailed} noise. Heavy-tailed noise is highly relevant and frequently arises in densely deployed wireless sensor and Internet of Things (IoT) networks. Specifically, we design a distributed gradient-type method that features a carefully balanced mixed time-scale time-varying consensus and gradient contribution step sizes and a bounded nonlinear operator on the consensus update to limit the effect of heavy-tailed noise. Assuming heterogeneous strongly convex local costs with mutually different minimizers that are arbitrarily far apart, we show that the proposed method converges to a neighborhood of the network-wide problem solution in the mean squared error (MSE) sense, and we also characterize the corresponding convergence rate. We further show that the asymptotic MSE can be made arbitrarily small through consensus step-size tuning, possibly at the cost of slowing down the transient error decay. Numerical experiments corroborate our findings and demonstrate the resilience of the proposed method to heavy-tailed (and infinite variance) communication noise. They also show that existing distributed methods, designed for finite-communication-noise-variance settings, fail in the presence of infinite variance noise.
Authors: Hieu Tran, Phuong-Anh Nguyen-Le, Huy Nghiem, Quang-Nhan Nguyen, Wei Ai, Marine Carpuat
Abstract: Machine translation systems fail when processing code-mixed inputs for low-resource languages. We address this challenge by curating VietMix, a parallel corpus of naturally occurring code-mixed Vietnamese text paired with expert English translations. Augmenting this resource, we developed a complementary synthetic data generation pipeline. This pipeline incorporates filtering mechanisms to ensure syntactic plausibility and pragmatic appropriateness in code-mixing patterns. Experimental validation shows our naturalistic and complementary synthetic data boost models' performance, measured by translation quality estimation scores, of up to 71.84 on COMETkiwi and 81.77 on XCOMET. Triangulating positive results with LLM-based assessments, augmented models are favored over seed fine-tuned counterparts in approximately 49% of judgments (54-56% excluding ties). VietMix and our augmentation methodology advance ecological validity in neural MT evaluations and establish a framework for addressing code-mixed translation challenges across other low-resource pairs.
Authors: LearnLM Team, Abhinit Modi, Aditya Srikanth Veerubhotla, Aliya Rysbek, Andrea Huber, Ankit Anand, Avishkar Bhoopchand, Brett Wiltshire, Daniel Gillick, Daniel Kasenberg, Eleni Sgouritsa, Gal Elidan, Hengrui Liu, Holger Winnemoeller, Irina Jurenka, James Cohan, Jennifer She, Julia Wilkowski, Kaiz Alarakyia, Kevin R. McKee, Komal Singh, Lisa Wang, Markus Kunesch, Miruna P\^islar, Niv Efron, Parsa Mahmoudieh, Pierre-Alexandre Kamienny, Sara Wiltberger, Shakir Mohamed, Shashank Agarwal, Shubham Milind Phal, Sun Jae Lee, Theofilos Strinopoulos, Wei-Jen Ko, Yael Gold-Zamir, Yael Haramaty, Yannis Assael
Abstract: Artificial intelligence (AI) is poised to transform education, but the research community lacks a robust, general benchmark to evaluate AI models for learning. To assess state-of-the-art support for educational use cases, we ran an "arena for learning" where educators and pedagogy experts conduct blind, head-to-head, multi-turn comparisons of leading AI models. In particular, $N = 189$ educators drew from their experience to role-play realistic learning use cases, interacting with two models sequentially, after which $N = 206$ experts judged which model better supported the user's learning goals. The arena evaluated a slate of state-of-the-art models: Gemini 2.5 Pro, Claude 3.7 Sonnet, GPT-4o, and OpenAI o3. Excluding ties, experts preferred Gemini 2.5 Pro in 73.2% of these match-ups -- ranking it first overall in the arena. Gemini 2.5 Pro also demonstrated markedly higher performance across key principles of good pedagogy. Altogether, these results position Gemini 2.5 Pro as a leading model for learning.
Authors: Fei Bai, Yingqian Min, Beichen Zhang, Zhipeng Chen, Wayne Xin Zhao, Lei Fang, Zheng Liu, Zhongyuan Wang, Ji-Rong Wen
Abstract: In this paper, we investigate code-integrated reasoning, where models generate code when necessary and integrate feedback by executing it through a code interpreter. To acquire this capability, models must learn when and how to use external code tools effectively, which is supported by tool-augmented reinforcement learning (RL) through interactive learning. Despite its benefits, tool-augmented RL can still suffer from potential instability in the learning dynamics. In light of this challenge, we present a systematic approach to improving the training effectiveness and stability of tool-augmented RL for code-integrated reasoning. Specifically, we develop enhanced training strategies that balance exploration and stability, progressively building tool-use capabilities while improving reasoning performance. Through extensive experiments on five mainstream mathematical reasoning benchmarks, our model demonstrates significant performance improvements over multiple competitive baselines. Furthermore, we conduct an in-depth analysis of the mechanism and effect of code-integrated reasoning, revealing several key insights, such as the extension of model's capability boundaries and the simultaneous improvement of reasoning efficiency through code integration. All data and code for reproducing this work are available at: https://github.com/RUCAIBox/CIR.
Authors: Falih Gozi Febrinanto, Kristen Moore, Chandra Thapa, Jiangang Ma, Vidya Saikrishna, Feng Xia
Abstract: The performance of existing audio deepfake detection frameworks degrades when confronted with new deepfake attacks. Rehearsal-based continual learning (CL), which updates models using a limited set of old data samples, helps preserve prior knowledge while incorporating new information. However, existing rehearsal techniques don't effectively capture the diversity of audio characteristics, introducing bias and increasing the risk of forgetting. To address this challenge, we propose Rehearsal with Auxiliary-Informed Sampling (RAIS), a rehearsal-based CL approach for audio deepfake detection. RAIS employs a label generation network to produce auxiliary labels, guiding diverse sample selection for the memory buffer. Extensive experiments show RAIS outperforms state-of-the-art methods, achieving an average Equal Error Rate (EER) of 1.953 % across five experiences. The code is available at: https://github.com/falihgoz/RAIS.
Authors: Nicholas Cartocci, Antonios E. Gkikakis, Darwin G. Caldwell, Jes\'us Ortiz
Abstract: Developing a general-purpose wearable real-time fall-detection system is still a challenging task, especially for healthy and strong subjects, such as industrial workers that work in harsh environments. In this work, we present a hybrid approach for fall detection and prevention, which uses the dynamic model of an inverted pendulum to generate simulations of falling that are then fed to a deep learning framework. The output is a signal to activate a fall mitigation mechanism when the subject is at risk of harm. The advantage of this approach is that abstracted models can be used to efficiently generate training data for thousands of different subjects with different falling initial conditions, something that is practically impossible with real experiments. This approach is suitable for a specific type of fall, where the subjects fall without changing their initial configuration significantly, and it is the first step toward a general-purpose wearable device, with the aim of reducing fall-associated injuries in industrial environments, which can improve the safety of workers.
Authors: Simone Cammarasana, Giuseppe Patan\`e
Abstract: The paper introduces the weighted convolution, a novel approach to the convolution for signals defined on regular grids (e.g., 2D images) through the application of an optimal density function to scale the contribution of neighbouring pixels based on their distance from the central pixel. This choice differs from the traditional uniform convolution, which treats all neighbouring pixels equally. Our weighted convolution can be applied to convolutional neural network problems to improve the approximation accuracy. Given a convolutional network, we define a framework to compute the optimal density function through a minimisation model. The framework separates the optimisation of the convolutional kernel weights (using stochastic gradient descent) from the optimisation of the density function (using DIRECT-L). Experimental results on a learning model for an image-to-image task (e.g., image denoising) show that the weighted convolution significantly reduces the loss (up to 53% improvement) and increases the test accuracy compared to standard convolution. While this method increases execution time by 11%, it is robust across several hyperparameters of the learning model. Future work will apply the weighted convolution to real-case 2D and 3D image convolutional learning problems.
Authors: Pedram Ghamisi, Weikang Yu, Xiaokang Zhang, Aldino Rizaldy, Jian Wang, Chufeng Zhou, Richard Gloaguen, Gustau Camps-Valls
Abstract: Foundation Models (FMs) are large-scale, pre-trained AI systems that have revolutionized natural language processing and computer vision, and are now advancing geospatial analysis and Earth Observation (EO). They promise improved generalization across tasks, scalability, and efficient adaptation with minimal labeled data. However, despite the rapid proliferation of geospatial FMs, their real-world utility and alignment with global sustainability goals remain underexplored. We introduce SustainFM, a comprehensive benchmarking framework grounded in the 17 Sustainable Development Goals with extremely diverse tasks ranging from asset wealth prediction to environmental hazard detection. This study provides a rigorous, interdisciplinary assessment of geospatial FMs and offers critical insights into their role in attaining sustainability goals. Our findings show: (1) While not universally superior, FMs often outperform traditional approaches across diverse tasks and datasets. (2) Evaluating FMs should go beyond accuracy to include transferability, generalization, and energy efficiency as key criteria for their responsible use. (3) FMs enable scalable, SDG-grounded solutions, offering broad utility for tackling complex sustainability challenges. Critically, we advocate for a paradigm shift from model-centric development to impact-driven deployment, and emphasize metrics such as energy efficiency, robustness to domain shifts, and ethical considerations.
Authors: Gabriel V Cardoso, Mike Pereira
Abstract: Bayesian models based on Gaussian processes (GPs) offer a flexible framework to predict spatially distributed variables with uncertainty. But the use of nonstationary priors, often necessary for capturing complex spatial patterns, makes sampling from the predictive posterior distribution (PPD) computationally intractable. In this paper, we propose a two-step approach based on diffusion generative models (DGMs) to mimic PPDs associated with non-stationary GP priors: we replace the GP prior by a DGM surrogate, and leverage recent advances on training-free guidance algorithms for DGMs to sample from the desired posterior distribution. We apply our approach to a rich non-stationary GP prior from which exact posterior sampling is untractable and validate that the issuing distributions are close to their GP counterpart using several statistical metrics. We also demonstrate how one can fine-tune the trained DGMs to target specific parts of the GP prior. Finally we apply the proposed approach to solve inverse problems arising in environmental sciences, thus yielding state-of-the-art predictions.
Authors: Junzhuo Li, Bo Wang, Xiuze Zhou, Peijie Jiang, Jia Liu, Xuming Hu
Abstract: The interpretability of Mixture-of-Experts (MoE) models, especially those with heterogeneous designs, remains underexplored. Existing attribution methods for dense models fail to capture dynamic routing-expert interactions in sparse MoE architectures. To address this issue, we propose a cross-level attribution algorithm to analyze sparse MoE architectures (Qwen 1.5-MoE, OLMoE, Mixtral-8x7B) against dense models (Qwen 1.5-7B, Llama-7B, Mixtral-7B). Results show MoE models achieve 37% higher per-layer efficiency via a "mid-activation, late-amplification" pattern: early layers screen experts, while late layers refine knowledge collaboratively. Ablation studies reveal a "basic-refinement" framework--shared experts handle general tasks (entity recognition), while routed experts specialize in domain-specific processing (geographic attributes). Semantic-driven routing is evidenced by strong correlations between attention heads and experts (r=0.68), enabling task-aware coordination. Notably, architectural depth dictates robustness: deep Qwen 1.5-MoE mitigates expert failures (e.g., 43% MRR drop in geographic tasks when blocking top-10 experts) through shared expert redundancy, whereas shallow OLMoE suffers severe degradation (76% drop). Task sensitivity further guides design: core-sensitive tasks (geography) require concentrated expertise, while distributed-tolerant tasks (object attributes) leverage broader participation. These insights advance MoE interpretability, offering principles to balance efficiency, specialization, and robustness.
Authors: Vittorio Torri, Machteld J. Boonstra, Marielle C. van de Veerdonk, Deborah N. Kalkman, Alicia Uijl, Francesca Ieva, Ameen Abu-Hanna, Folkert W. Asselbergs, Iacer Calixto
Abstract: Objective: Heart failure (HF) patients present with diverse phenotypes affecting treatment and prognosis. This study evaluates models for phenotyping HF patients based on left ventricular ejection fraction (LVEF) classes, using structured and unstructured data, assessing performance and interpretability. Materials and Methods: The study analyzes all HF hospitalizations at both Amsterdam UMC hospitals (AMC and VUmc) from 2015 to 2023 (33,105 hospitalizations, 16,334 patients). Data from AMC were used for model training, and from VUmc for external validation. The dataset was unlabelled and included tabular clinical measurements and discharge letters. Silver labels for LVEF classes were generated by combining diagnosis codes, echocardiography results, and textual mentions. Gold labels were manually annotated for 300 patients for testing. Multiple Transformer-based (black-box) and Aug-Linear (white-box) models were trained and compared with baselines on structured and unstructured data. To evaluate interpretability, two clinicians annotated 20 discharge letters by highlighting information they considered relevant for LVEF classification. These were compared to SHAP and LIME explanations from black-box models and the inherent explanations of Aug-Linear models. Results: BERT-based and Aug-Linear models, using discharge letters alone, achieved the highest classification results (AUC=0.84 for BERT, 0.81 for Aug-Linear on external validation), outperforming baselines. Aug-Linear explanations aligned more closely with clinicians' explanations than post-hoc explanations on black-box models. Conclusions: Discharge letters emerged as the most informative source for phenotyping HF patients. Aug-Linear models matched black-box performance while providing clinician-aligned interpretability, supporting their use in transparent clinical decision-making.
Authors: Ben Griffin, Joseph Ternasky, Fuat Alican, Yigit Ihlamur
Abstract: Predicting startup success requires models that are both accurate and interpretable. We present a lightweight ensemble framework that combines YES/NO questions generated by large language models (LLMs), forming a transparent decision-making system. Each question acts as a weak heuristic, and by filtering, ranking, and aggregating them through a threshold-based voting mechanism, we construct a strong ensemble predictor. On a test set where 10% of startups are classified as successful, our approach achieves a precision rate of 50%, representing a 5x improvement over random selection, while remaining fully transparent. When we incorporate expert-guided heuristics into the generation process, performance improves further to 54% precision. These results highlight the value of combining LLM reasoning with human insight and demonstrate that simple, interpretable ensembles can support high-stakes decisions in domains such as venture capital (VC).
Authors: Hariom Tatsat (Barclays), Ariye Shater (Barclays)
Abstract: Large Language Models (LLMs) exhibit remarkable capabilities across a spectrum of tasks in financial services, including report generation, chatbots, sentiment analysis, regulatory compliance, investment advisory, financial knowledge retrieval, and summarization. However, their intrinsic complexity and lack of transparency pose significant challenges, especially in the highly regulated financial sector, where interpretability, fairness, and accountability are critical. As far as we are aware, this paper presents the first application in the finance domain of understanding and utilizing the inner workings of LLMs through mechanistic interpretability, addressing the pressing need for transparency and control in AI systems. Mechanistic interpretability is the most intuitive and transparent way to understand LLM behavior by reverse-engineering their internal workings. By dissecting the activations and circuits within these models, it provides insights into how specific features or components influence predictions - making it possible not only to observe but also to modify model behavior. In this paper, we explore the theoretical aspects of mechanistic interpretability and demonstrate its practical relevance through a range of financial use cases and experiments, including applications in trading strategies, sentiment analysis, bias, and hallucination detection. While not yet widely adopted, mechanistic interpretability is expected to become increasingly vital as adoption of LLMs increases. Advanced interpretability tools can ensure AI systems remain ethical, transparent, and aligned with evolving financial regulations. In this paper, we have put special emphasis on how these techniques can help unlock interpretability requirements for regulatory and compliance purposes - addressing both current needs and anticipating future expectations from financial regulators globally.
Authors: Frederike L\"ubeck, Jonas Wildberger, Frederik Tr\"auble, Maximilian Mordig, Sergios Gatidis, Andreas Krause, Bernhard Sch\"olkopf
Abstract: Cardiovascular disease (CVD) risk prediction models are essential for identifying high-risk individuals and guiding preventive actions. However, existing models struggle with the challenges of real-world clinical practice as they oversimplify patient profiles, rely on rigid input schemas, and are sensitive to distribution shifts. We developed AdaCVD, an adaptable CVD risk prediction framework built on large language models extensively fine-tuned on over half a million participants from the UK Biobank. In benchmark comparisons, AdaCVD surpasses established risk scores and standard machine learning approaches, achieving state-of-the-art performance. Crucially, for the first time, it addresses key clinical challenges across three dimensions: it flexibly incorporates comprehensive yet variable patient information; it seamlessly integrates both structured data and unstructured text; and it rapidly adapts to new patient populations using minimal additional data. In stratified analyses, it demonstrates robust performance across demographic, socioeconomic, and clinical subgroups, including underrepresented cohorts. AdaCVD offers a promising path toward more flexible, AI-driven clinical decision support tools suited to the realities of heterogeneous and dynamic healthcare environments.
Authors: Jonghyun Ham, Maximilian Fleissner, Debarghya Ghoshdastidar
Abstract: Modern deep neural networks exhibit strong generalization even in highly overparameterized regimes. Significant progress has been made to understand this phenomenon in the context of supervised learning, but for unsupervised tasks such as denoising, several open questions remain. While some recent works have successfully characterized the test error of the linear denoising problem, they are limited to linear models (one-layer network). In this work, we focus on two-layer linear denoising autoencoders trained under gradient flow, incorporating two key ingredients of modern deep learning architectures: A low-dimensional bottleneck layer that effectively enforces a rank constraint on the learned solution, as well as the possibility of a skip connection that bypasses the bottleneck. We derive closed-form expressions for all critical points of this model under product regularization, and in particular describe its global minimizer under the minimum-norm principle. From there, we derive the test risk formula in the overparameterized regime, both for models with and without skip connections. Our analysis reveals two interesting phenomena: Firstly, the bottleneck layer introduces an additional complexity measure akin to the classical bias-variance trade-off -- increasing the bottleneck width reduces bias but introduces variance, and vice versa. Secondly, skip connection can mitigate the variance in denoising autoencoders -- especially when the model is mildly overparameterized. We further analyze the impact of skip connections in denoising autoencoder using random matrix theory and support our claims with numerical evidence.
Authors: Dennis Jacob, Chong Xiang, Prateek Mittal
Abstract: Deep learning techniques have enabled vast improvements in computer vision technologies. Nevertheless, these models are vulnerable to adversarial patch attacks which catastrophically impair performance. The physically realizable nature of these attacks calls for certifiable defenses, which feature provable guarantees on robustness. While certifiable defenses have been successfully applied to single-label classification, limited work has been done for multi-label classification. In this work, we present PatchDEMUX, a certifiably robust framework for multi-label classifiers against adversarial patches. Our approach is a generalizable method which can extend any existing certifiable defense for single-label classification; this is done by considering the multi-label classification task as a series of isolated binary classification problems to provably guarantee robustness. Furthermore, in the scenario where an attacker is limited to a single patch we propose an additional certification procedure that can provide tighter robustness bounds. Using the current state-of-the-art (SOTA) single-label certifiable defense PatchCleanser as a backbone, we find that PatchDEMUX can achieve non-trivial robustness on the MS-COCO and PASCAL VOC datasets while maintaining high clean performance
Authors: Hideaki Kim, Tomoharu Iwata, Akinori Fujino
Abstract: Kernel method-based intensity estimators, formulated within reproducing kernel Hilbert spaces (RKHSs), and classical kernel intensity estimators (KIEs) have been among the most easy-to-implement and feasible methods for estimating the intensity functions of inhomogeneous Poisson processes. While both approaches share the term "kernel", they are founded on distinct theoretical principles, each with its own strengths and limitations. In this paper, we propose a novel regularized kernel method for Poisson processes based on the least squares loss and show that the resulting intensity estimator involves a specialized variant of the representer theorem: it has the dual coefficient of unity and coincides with classical KIEs. This result provides new theoretical insights into the connection between classical KIEs and kernel method-based intensity estimators, while enabling us to develop an efficient KIE by leveraging advanced techniques from RKHS theory. We refer to the proposed model as the kernel method-based kernel intensity estimator (K$^2$IE). Through experiments on synthetic datasets, we show that K$^2$IE achieves comparable predictive performance while significantly surpassing the state-of-the-art kernel method-based estimator in computational efficiency.
Authors: Xiaochen Zhang, Haoyi Xiong
Abstract: This paper introduces a novel Knockoff-guided compressive sensing framework, referred to as \TheName{}, which enhances signal recovery by leveraging precise false discovery rate (FDR) control during the support identification phase. Unlike LASSO, which jointly performs support selection and signal estimation without explicit error control, our method guarantees FDR control in finite samples, enabling more reliable identification of the true signal support. By separating and controlling the support recovery process through statistical Knockoff filters, our framework achieves more accurate signal reconstruction, especially in challenging scenarios where traditional methods fail. We establish theoretical guarantees demonstrating how FDR control directly ensures recovery performance under weaker conditions than traditional $\ell_1$-based compressive sensing methods, while maintaining accurate signal reconstruction. Extensive numerical experiments demonstrate that our proposed Knockoff-based method consistently outperforms LASSO-based and other state-of-the-art compressive sensing techniques. In simulation studies, our method improves F1-score by up to 3.9x over baseline methods, attributed to principled false discovery rate (FDR) control and enhanced support recovery. The method also consistently yields lower reconstruction and relative errors. We further validate the framework on real-world datasets, where it achieves top downstream predictive performance across both regression and classification tasks, often narrowing or even surpassing the performance gap relative to uncompressed signals. These results establish \TheName{} as a robust and practical alternative to existing approaches, offering both theoretical guarantees and strong empirical performance through statistically grounded support selection.
Authors: Mu Qiao
Abstract: Identifying evolutionary correspondences between cell types across species is a fundamental challenge in comparative genomics and evolutionary biology. Existing approaches often rely on either reference-based matching, which imposes asymmetry by designating one species as the reference, or projection-based matching, which may increase computational complexity and obscure biological interpretability at the cell-type level. Here, we present OT-MESH, an unsupervised computational framework leveraging entropy-regularized optimal transport (OT) to systematically determine cross-species cell type homologies. Our method uniquely integrates the Minimize Entropy of Sinkhorn (MESH) technique to refine the OT plan. It begins by selecting genes with high Signal-to-Noise Ratio (SNR) to capture the most informative features, from which a cost matrix is constructed using cosine distances between cell-type centroids. Importantly, the MESH procedure iteratively refines the cost matrix, leading to a transport plan with significantly enhanced sparsity and interpretability of the resulting correspondence matrices. Applied to retinal bipolar cells (BCs) and retinal ganglion cells (RGCs) from mouse and macaque, OT-MESH accurately recovers known evolutionary relationships and uncovers novel correspondences, one of which was independently validated experimentally. Thus, our framework offers a principled, scalable, symmetric, and interpretable solution for evolutionary cell type mapping, facilitating deeper insights into cellular specialization and conservation across species.
Authors: Claudia Merger, Sebastian Goldt
Abstract: Diffusion models trained on finite datasets with $N$ samples from a target distribution exhibit a transition from memorisation, where the model reproduces training examples, to generalisation, where it produces novel samples that reflect the underlying data distribution. Understanding this transition is key to characterising the sample efficiency and reliability of generative models, but our theoretical understanding of this transition is incomplete. Here, we analytically study the memorisation-to-generalisation transition in a simple model using linear denoisers, which allow explicit computation of test errors, sampling distributions, and Kullback-Leibler divergences between samples and target distribution. Using these measures, we predict that this transition occurs roughly when $N \asymp d$, the dimension of the inputs. When $N$ is smaller than the dimension of the inputs $d$, so that only a fraction of relevant directions of variation are present in the training data, we demonstrate how both regularization and early stopping help to prevent overfitting. For $N > d$, we find that the sampling distributions of linear diffusion models approach their optimum (measured by the Kullback-Leibler divergence) linearly with $d/N$, independent of the specifics of the data distribution. Our work clarifies how sample complexity governs generalisation in a simple model of diffusion-based generative models and provides insight into the training dynamics of linear denoisers.
Authors: Karim Abou-Moustafa
Abstract: We consider the problem of estimating a regularization parameter, or a shrinkage coefficient $\alpha \in (0,1)$ for Regularized Tyler's M-estimator (RTME). In particular, we propose to estimate an optimal shrinkage coefficient by setting $\alpha$ as the solution to a suitably chosen objective function; namely the leave-one-out cross-validated (LOOCV) log-likelihood loss. Since LOOCV is computationally prohibitive even for moderate sample size $n$, we propose a computationally efficient approximation for the LOOCV log-likelihood loss that eliminates the need for invoking the RTME procedure $n$ times for each sample left out during the LOOCV procedure. This approximation yields an $O(n)$ reduction in the running time complexity for the LOOCV procedure, which results in a significant speedup for computing the LOOCV estimate. We demonstrate the efficiency and accuracy of the proposed approach on synthetic high-dimensional data sampled from heavy-tailed elliptical distributions, as well as on real high-dimensional datasets for object recognition, face recognition, and handwritten digit's recognition. Our experiments show that the proposed approach is efficient and consistently more accurate than other methods in the literature for shrinkage coefficient estimation.
Authors: Conor Heins, Toon Van de Maele, Alexander Tschantz, Hampus Linander, Dimitrije Markovic, Tommaso Salvatori, Corrado Pezzato, Ozan Catal, Ran Wei, Magnus Koudahl, Marco Perin, Karl Friston, Tim Verbelen, Christopher Buckley
Abstract: Current deep reinforcement learning (DRL) approaches achieve state-of-the-art performance in various domains, but struggle with data efficiency compared to human learning, which leverages core priors about objects and their interactions. Active inference offers a principled framework for integrating sensory information with prior knowledge to learn a world model and quantify the uncertainty of its own beliefs and predictions. However, active inference models are usually crafted for a single task with bespoke knowledge, so they lack the domain flexibility typical of DRL approaches. To bridge this gap, we propose a novel architecture that integrates a minimal yet expressive set of core priors about object-centric dynamics and interactions to accelerate learning in low-data regimes. The resulting approach, which we call AXIOM, combines the usual data efficiency and interpretability of Bayesian approaches with the across-task generalization usually associated with DRL. AXIOM represents scenes as compositions of objects, whose dynamics are modeled as piecewise linear trajectories that capture sparse object-object interactions. The structure of the generative model is expanded online by growing and learning mixture models from single events and periodically refined through Bayesian model reduction to induce generalization. AXIOM masters various games within only 10,000 interaction steps, with both a small number of parameters compared to DRL, and without the computational expense of gradient-based optimization.
Authors: Haozhan Tang, Tianyi Zhang, Matthew Johnson-Roberson, Weiming Zhi
Abstract: Robot manipulation, especially bimanual manipulation, often requires setting up multiple cameras on multiple robot manipulators. Before robot manipulators can generate motion or even build representations of their environments, the cameras rigidly mounted to the robot need to be calibrated. Camera calibration is a cumbersome process involving collecting a set of images, with each capturing a pre-determined marker. In this work, we introduce the Bi-Manual Joint Calibration and Representation Framework (Bi-JCR). Bi-JCR enables multiple robot manipulators, each with cameras mounted, to circumvent taking images of calibration markers. By leveraging 3D foundation models for dense, marker-free multi-view correspondence, Bi-JCR jointly estimates: (i) the extrinsic transformation from each camera to its end-effector, (ii) the inter-arm relative poses between manipulators, and (iii) a unified, scale-consistent 3D representation of the shared workspace, all from the same captured RGB image sets. The representation, jointly constructed from images captured by cameras on both manipulators, lives in a common coordinate frame and supports collision checking and semantic segmentation to facilitate downstream bimanual coordination tasks. We empirically evaluate the robustness of Bi-JCR on a variety of tabletop environments, and demonstrate its applicability on a variety of downstream tasks.
Authors: Yuwen Tan, Yuan Qing, Boqing Gong
Abstract: This paper reveals that many state-of-the-art large language models (LLMs) lack hierarchical knowledge about our visual world, unaware of even well-established biology taxonomies. This shortcoming makes LLMs a bottleneck for vision LLMs' hierarchical visual understanding (e.g., recognizing Anemone Fish but not Vertebrate). We arrive at these findings using about one million four-choice visual question answering (VQA) tasks constructed from six taxonomies and four image datasets. Interestingly, finetuning a vision LLM using our VQA tasks reaffirms LLMs' bottleneck effect to some extent because the VQA tasks improve the LLM's hierarchical consistency more than the vision LLM's. We conjecture that one cannot make vision LLMs understand visual concepts fully hierarchical until LLMs possess corresponding taxonomy knowledge.
Authors: Charig Yang, Samiul Alam, Shakhrul Iman Siam, Michael J. Proulx, Lambert Mathias, Kiran Somasundaram, Luis Pesqueira, James Fort, Sheroze Sheriffdeen, Omkar Parkhi, Carl Ren, Mi Zhang, Yuning Chai, Richard Newcombe, Hyo Jin Kim
Abstract: To enable egocentric contextual AI in always-on smart glasses, it is crucial to be able to keep a record of the user's interactions with the world, including during reading. In this paper, we introduce a new task of reading recognition to determine when the user is reading. We first introduce the first-of-its-kind large-scale multimodal Reading in the Wild dataset, containing 100 hours of reading and non-reading videos in diverse and realistic scenarios. We then identify three modalities (egocentric RGB, eye gaze, head pose) that can be used to solve the task, and present a flexible transformer model that performs the task using these modalities, either individually or combined. We show that these modalities are relevant and complementary to the task, and investigate how to efficiently and effectively encode each modality. Additionally, we show the usefulness of this dataset towards classifying types of reading, extending current reading understanding studies conducted in constrained settings to larger scale, diversity and realism. Code, model, and data will be public.
Authors: Jean Barbier, Francesco Camilli, Minh-Toan Nguyen, Mauro Pastore, Rudy Skerk
Abstract: For three decades statistical mechanics has been providing a framework to analyse neural networks. However, the theoretically tractable models, e.g., perceptrons, random features models and kernel machines, or multi-index models and committee machines with few neurons, remained simple compared to those used in applications. In this paper we help reducing the gap between practical networks and their theoretical understanding through a statistical physics analysis of the supervised learning of a two-layer fully connected network with generic weight distribution and activation function, whose hidden layer is large but remains proportional to the inputs dimension. This makes it more realistic than infinitely wide networks where no feature learning occurs, but also more expressive than narrow ones or with fixed inner weights. We focus on the Bayes-optimal learning in the teacher-student scenario, i.e., with a dataset generated by another network with the same architecture. We operate around interpolation, where the number of trainable parameters and of data are comparable and feature learning emerges. Our analysis uncovers a rich phenomenology with various learning transitions as the number of data increases. In particular, the more strongly the features (i.e., hidden neurons of the target) contribute to the observed responses, the less data is needed to learn them. Moreover, when the data is scarce, the model only learns non-linear combinations of the teacher weights, rather than "specialising" by aligning its weights with the teacher's. Specialisation occurs only when enough data becomes available, but it can be hard to find for practical training algorithms, possibly due to statistical-to-computational~gaps.
Authors: Douwe den Blanken, Charlotte Frenkel
Abstract: On-device learning at the edge enables low-latency, private personalization with improved long-term robustness and reduced maintenance costs. Yet, achieving scalable, low-power end-to-end on-chip learning, especially from real-world sequential data with a limited number of examples, is an open challenge. Indeed, accelerators supporting error backpropagation optimize for learning performance at the expense of inference efficiency, while simplified learning algorithms often fail to reach acceptable accuracy targets. In this work, we present Chameleon, leveraging three key contributions to solve these challenges. (i) A unified learning and inference architecture supports few-shot learning (FSL), continual learning (CL) and inference at only 0.5% area overhead to the inference logic. (ii) Long temporal dependencies are efficiently captured with temporal convolutional networks (TCNs), enabling the first demonstration of end-to-end on-chip FSL and CL on sequential data and inference on 16-kHz raw audio. (iii) A dual-mode, matrix-multiplication-free compute array allows either matching the power consumption of state-of-the-art inference-only keyword spotting (KWS) accelerators or enabling $4.3\times$ higher peak GOPS. Fabricated in 40-nm CMOS, Chameleon sets new accuracy records on Omniglot for end-to-end on-chip FSL (96.8%, 5-way 1-shot, 98.8%, 5-way 5-shot) and CL (82.2% final accuracy for learning 250 classes with 10 shots), while maintaining an inference accuracy of 93.3% on the 12-class Google Speech Commands dataset at an extreme-edge power budget of 3.1 $\mu$W.
Authors: Zhao Mandi, Yifan Hou, Dieter Fox, Yashraj Narang, Ajay Mandlekar, Shuran Song
Abstract: We study the problem of functional retargeting: learning dexterous manipulation policies to track object states from human hand-object demonstrations. We focus on long-horizon, bimanual tasks with articulated objects, which is challenging due to large action space, spatiotemporal discontinuities, and embodiment gap between human and robot hands. We propose DexMachina, a novel curriculum-based algorithm: the key idea is to use virtual object controllers with decaying strength: an object is first driven automatically towards its target states, such that the policy can gradually learn to take over under motion and contact guidance. We release a simulation benchmark with a diverse set of tasks and dexterous hands, and show that DexMachina significantly outperforms baseline methods. Our algorithm and benchmark enable a functional comparison for hardware designs, and we present key findings informed by quantitative and qualitative results. With the recent surge in dexterous hand development, we hope this work will provide a useful platform for identifying desirable hardware capabilities and lower the barrier for contributing to future research. Videos and more at https://project-dexmachina.github.io/
Authors: Gabrielle Kaili-May Liu, Gal Yona, Avi Caciularu, Idan Szpektor, Tim G. J. Rudner, Arman Cohan
Abstract: A critical component in the trustworthiness of LLMs is reliable uncertainty communication, yet LLMs often use assertive language when conveying false claims, leading to over-reliance and eroded trust. We present the first systematic study of $\textit{faithful confidence calibration}$ of LLMs, benchmarking models' ability to use linguistic expressions of uncertainty that $\textit{faithfully reflect}$ their intrinsic uncertainty, across a comprehensive array of models, datasets, and prompting strategies. Our results demonstrate that LLMs largely fail at this task, and that existing interventions are insufficient: standard prompt approaches provide only marginal gains, and existing, factuality-based calibration techniques can even harm faithful calibration. To address this critical gap, we introduce MetaFaith, a novel prompt-based calibration approach inspired by human metacognition. We show that MetaFaith robustly improves faithful calibration across diverse models and task domains, enabling up to 61% improvement in faithfulness and achieving an 83% win rate over original generations as judged by humans.
Authors: Yiqing Liang, Jielin Qiu, Wenhao Ding, Zuxin Liu, James Tompkin, Mengdi Xu, Mengzhou Xia, Zhengzhong Tu, Laixi Shi, Jiacheng Zhu
Abstract: Reinforcement Learning with Verifiable Rewards (RLVR) has recently emerged as a powerful paradigm for post-training large language models (LLMs), achieving state-of-the-art performance on tasks with structured, verifiable answers. Applying RLVR to Multimodal LLMs (MLLMs) presents significant opportunities but is complicated by the broader, heterogeneous nature of vision-language tasks that demand nuanced visual, logical, and spatial capabilities. As such, training MLLMs using RLVR on multiple datasets could be beneficial but creates challenges with conflicting objectives from interaction among diverse datasets, highlighting the need for optimal dataset mixture strategies to improve generalization and reasoning. We introduce a systematic post-training framework for Multimodal LLM RLVR, featuring a rigorous data mixture problem formulation and benchmark implementation. Specifically, (1) We developed a multimodal RLVR framework for multi-dataset post-training by curating a dataset that contains different verifiable vision-language problems and enabling multi-domain online RL learning with different verifiable rewards; (2) We proposed a data mixture strategy that learns to predict the RL fine-tuning outcome from the data mixture distribution, and consequently optimizes the best mixture. Comprehensive experiments showcase that multi-domain RLVR training, when combined with mixture prediction strategies, can significantly boost MLLM general reasoning capacities. Our best mixture improves the post-trained model's accuracy on out-of-distribution benchmarks by an average of 5.24% compared to the same model post-trained with uniform data mixture, and by a total of 20.74% compared to the pre-finetuning baseline.
Authors: Yaxin Luo, Zhaoyi Li, Jiacheng Liu, Jiacheng Cui, Xiaohan Zhao, Zhiqiang Shen
Abstract: CAPTCHAs have been a critical bottleneck for deploying web agents in real-world applications, often blocking them from completing end-to-end automation tasks. While modern multimodal LLM agents have demonstrated impressive performance in static perception tasks, their ability to handle interactive, multi-step reasoning challenges like CAPTCHAs is largely untested. To address this gap, we introduce Open CaptchaWorld, the first web-based benchmark and platform specifically designed to evaluate the visual reasoning and interaction capabilities of MLLM-powered agents through diverse and dynamic CAPTCHA puzzles. Our benchmark spans 20 modern CAPTCHA types, totaling 225 CAPTCHAs, annotated with a new metric we propose: CAPTCHA Reasoning Depth, which quantifies the number of cognitive and motor steps required to solve each puzzle. Experimental results show that humans consistently achieve near-perfect scores, state-of-the-art MLLM agents struggle significantly, with success rates at most 40.0% by Browser-Use Openai-o3, far below human-level performance, 93.3%. This highlights Open CaptchaWorld as a vital benchmark for diagnosing the limits of current multimodal agents and guiding the development of more robust multimodal reasoning systems. Code and Data are available at this https URL.
Authors: A. C. N. de Oliveira, D. R. Figueiredo
Abstract: Leveraging sparse networks to connect successive layers in deep neural networks has recently been shown to provide benefits to large-scale state-of-the-art models. However, network connectivity also plays a significant role in the learning performance of shallow networks, such as the classic Restricted Boltzmann Machine (RBM). Efficiently finding sparse connectivity patterns that improve the learning performance of shallow networks is a fundamental problem. While recent principled approaches explicitly include network connections as model parameters that must be optimized, they often rely on explicit penalization or network sparsity as a hyperparameter. This work presents the Network Connectivity Gradients (NCG), an optimization method to find optimal connectivity patterns for RBMs. NCG leverages the idea of network gradients: given a specific connection pattern, it determines the gradient of every possible connection and uses the gradient to drive a continuous connection strength parameter that in turn is used to determine the connection pattern. Thus, learning RBM parameters and learning network connections is truly jointly performed, albeit with different learning rates, and without changes to the model's classic energy-based objective function. The proposed method is applied to the MNIST and other data sets showing that better RBM models are found for the benchmark tasks of sample generation and classification. Results also show that NCG is robust to network initialization and is capable of both adding and removing network connections while learning.
Authors: Rickard Br\"uel-Gabrielsson, Tongzhou Wang, Manel Baradad, Justin Solomon
Abstract: Despite dropout's ubiquity in machine learning, its effectiveness as a form of data augmentation remains under-explored. We address two key questions: (i) When is dropout effective as an augmentation strategy? (ii) Is dropout uniquely effective under these conditions? To explore these questions, we propose Deep Augmentation, a network- and modality-agnostic method that applies dropout or PCA transformations to targeted layers in neural networks. Through extensive experiments on contrastive learning tasks in NLP, computer vision, and graph learning, we find that uniformly applying dropout across layers does not consistently improve performance. Instead, dropout proves most beneficial in deeper layers and can be matched by alternative augmentations (e.g., PCA). We also show that a stop-gradient operation is critical for ensuring dropout functions effectively as an augmentation, and that performance trends invert when moving from contrastive tasks to supervised tasks. Our analysis suggests that Deep Augmentation helps mitigate inter-layer co-adaptation -- a notable issue in self-supervised learning due to the absence of labeled data. Drawing on these insights, we outline a procedure for selecting the optimal augmentation layer and demonstrate that Deep Augmentation can outperform traditional input-level augmentations. This simple yet powerful approach can be seamlessly integrated into a wide range of architectures and modalities, yielding notable gains in both performance and generalization.
Authors: Ziyi Chang, George Alex Koulieris, Hyung Jin Chang, Hubert P. H. Shum
Abstract: Diffusion models are learning pattern-learning systems to model and sample from data distributions with three functional components namely the forward process, the reverse process, and the sampling process. The components of diffusion models have gained significant attention with many design factors being considered in common practice. Existing reviews have primarily focused on higher-level solutions, covering less on the design fundamentals of components. This study seeks to address this gap by providing a comprehensive and coherent review of seminal designable factors within each functional component of diffusion models. This provides a finer-grained perspective of diffusion models, benefiting future studies in the analysis of individual components, the design factors for different purposes, and the implementation of diffusion models.
Authors: Federico Berto, Chuanbo Hua, Junyoung Park, Laurin Luttmann, Yining Ma, Fanchen Bu, Jiarui Wang, Haoran Ye, Minsu Kim, Sanghyeok Choi, Nayeli Gast Zepeda, Andr\'e Hottung, Jianan Zhou, Jieyi Bi, Yu Hu, Fei Liu, Hyeonah Kim, Jiwoo Son, Haeyeon Kim, Davide Angioni, Wouter Kool, Zhiguang Cao, Qingfu Zhang, Joungho Kim, Jie Zhang, Kijung Shin, Cathy Wu, Sungsoo Ahn, Guojie Song, Changhyun Kwon, Kevin Tierney, Lin Xie, Jinkyoo Park
Abstract: Combinatorial optimization (CO) is fundamental to several real-world applications, from logistics and scheduling to hardware design and resource allocation. Deep reinforcement learning (RL) has recently shown significant benefits in solving CO problems, reducing reliance on domain expertise and improving computational efficiency. However, the absence of a unified benchmarking framework leads to inconsistent evaluations, limits reproducibility, and increases engineering overhead, raising barriers to adoption for new researchers. To address these challenges, we introduce RL4CO, a unified and extensive benchmark with in-depth library coverage of 27 CO problem environments and 23 state-of-the-art baselines. Built on efficient software libraries and best practices in implementation, RL4CO features modularized implementation and flexible configurations of diverse environments, policy architectures, RL algorithms, and utilities with extensive documentation. RL4CO helps researchers build on existing successes while exploring and developing their own designs, facilitating the entire research process by decoupling science from heavy engineering. We finally provide extensive benchmark studies to inspire new insights and future work. RL4CO has already attracted numerous researchers in the community and is open-sourced at https://github.com/ai4co/rl4co.
Authors: Martin Pelikan, Sheikh Shams Azam, Vitaly Feldman, Jan "Honza" Silovsky, Kunal Talwar, Christopher G. Brinton, Tatiana Likhomanenko
Abstract: While federated learning (FL) and differential privacy (DP) have been extensively studied, their application to automatic speech recognition (ASR) remains largely unexplored due to the challenges in training large transformer models. Specifically, large models further exacerbate issues in FL as they are particularly susceptible to gradient heterogeneity across layers, unlike the relatively uniform gradient behavior observed in shallow models. As a result, prior works struggle to converge with standard optimization techniques, even in the absence of DP mechanisms. To the best of our knowledge, no existing work establishes a competitive, practical recipe for FL with DP in the context of ASR. To address this gap, we establish \textbf{the first benchmark for FL with DP in end-to-end ASR}. Our approach centers on per-layer clipping and layer-wise gradient normalization: theoretical analysis reveals that these techniques together mitigate clipping bias and gradient heterogeneity across layers in deeper models. Consistent with these theoretical insights, our empirical results show that FL with DP is viable under strong privacy guarantees, provided a population of at least several million users. Specifically, we achieve user-level (7.2, $10^{-9}$)-DP (resp. (4.5, $10^{-9}$)-DP) with only a 1.3% (resp. 4.6%) absolute drop in word error rate when extrapolating to high (resp. low) population scales for FL with DP in ASR. Although our experiments focus on ASR, the underlying principles we uncover - particularly those concerning gradient heterogeneity and layer-wise gradient normalization - offer broader guidance for designing scalable, privacy-preserving FL algorithms for large models across domains.
Authors: Hanbeot Park, Yunjeong Cho, Hoon-Hee Kim
Abstract: Handling class imbalance remains a central challenge in machine learning, particularly in pattern recognition tasks where rare but critical events-such as fraudulent transactions or medical anomalies-must be identified accurately. Traditional generative models offer a potential remedy through data augmentation but often treat generation and classification as independent processes, leading to distribution mismatch and limited classifier benefit. To address these shortcomings, we propose Causal Cooperative Networks (CCNETS), a modular learning framework that integrates generation, inference, and reconstruction within a unified causal paradigm. CCNETS comprises three cooperative modules: an Explainer for latent feature abstraction, a Reasoner for label prediction, and a Producer for context-aware data generation. These components interact through a causal feedback loop, where classification results guide targeted sample synthesis. A key innovation, the Zoint mechanism, enables adaptive fusion of latent and observable features, enhancing semantic richness and enabling robust decision-making under uncertainty. We evaluate CCNETS on a real-world credit card fraud detection dataset with extreme imbalance (fraud cases < 0.2%). Across three experimental setups-including synthetic training, amplified generation, and direct classifier comparison-CCNETS outperforms baseline methods, achieving higher F1 scores, precision, and recall. Models trained on CCNETS-generated data also demonstrate superior generalization under limited data conditions. These results establish CCNETS as a scalable, interpretable, and hybrid soft computing framework. By causally aligning synthetic data with classifier objectives, CCNETS advances imbalanced pattern recognition and opens new directions for robust, modular learning in real-world applications.
Authors: Li Guo, George Andriopoulos, Zifan Zhao, Shuyang Ling, Zixuan Dong, Keith Ross
Abstract: Label smoothing loss is a widely adopted technique to mitigate overfitting in deep neural networks. This paper studies label smoothing from the perspective of Neural Collapse (NC), a powerful empirical and theoretical framework which characterizes model behavior during the terminal phase of training. We first show empirically that models trained with label smoothing converge faster to neural collapse solutions and attain a stronger level of neural collapse. Additionally, we show that at the same level of NC1, models under label smoothing loss exhibit intensified NC2. These findings provide valuable insights into the performance benefits and enhanced model calibration under label smoothing loss. We then leverage the unconstrained feature model to derive closed-form solutions for the global minimizers for both loss functions and further demonstrate that models under label smoothing have a lower conditioning number and, therefore, theoretically converge faster. Our study, combining empirical evidence and theoretical results, not only provides nuanced insights into the differences between label smoothing and cross-entropy losses, but also serves as an example of how the powerful neural collapse framework can be used to improve our understanding of DNNs.
Authors: Jiaqi Han, Jiacheng Cen, Liming Wu, Zongzhao Li, Xiangzhe Kong, Rui Jiao, Ziyang Yu, Tingyang Xu, Fandi Wu, Zihe Wang, Hongteng Xu, Zhewei Wei, Deli Zhao, Yang Liu, Yu Rong, Wenbing Huang
Abstract: Geometric graphs are a special kind of graph with geometric features, which are vital to model many scientific problems. Unlike generic graphs, geometric graphs often exhibit physical symmetries of translations, rotations, and reflections, making them ineffectively processed by current Graph Neural Networks (GNNs). To address this issue, researchers proposed a variety of geometric GNNs equipped with invariant/equivariant properties to better characterize the geometry and topology of geometric graphs. Given the current progress in this field, it is imperative to conduct a comprehensive survey of data structures, models, and applications related to geometric GNNs. In this paper, based on the necessary but concise mathematical preliminaries, we formalize geometric graph as the data structure, on top of which we provide a unified view of existing models from the geometric message passing perspective. Additionally, we summarize the applications as well as the related datasets to facilitate later research for methodology development and experimental evaluation. We also discuss the challenges and future potential directions of geometric GNNs at the end of this survey.
Authors: Chujie Zheng, Ziqi Wang, Heng Ji, Minlie Huang, Nanyun Peng
Abstract: Given the high computational cost of preference alignment training of large language models (LLMs), exploring efficient methods to reduce the training overhead remains an important and compelling research problem. Motivated by the observation that alignment training typically involves only small parameter changes without injecting new knowledge into models, we propose a straightforward method called ExPO (model extrapolation) to expedite LLMs' alignment with human preferences. Given a partially-trained model and its initial SFT checkpoint, ExPO improves the implicit optimization objective of alignment training by simply amplifying the parameter change based on a first-order approximation, without any additional training overhead. Through controlled experiments, we demonstrate that ExPO boosts a DPO model trained with only 20% steps to outperform the fully-trained one. Moreover, we show that ExPO notably improves existing open-source LLMs (ranging from 1.8B to 70B parameters) on the leading AlpacaEval 2.0 and MT-Bench benchmarks, which highlights ExPO's broader utility in efficiently enhancing LLM alignment.
Authors: Jia Hu, Mingyue Lei, Haoran Wang, Zeyu Liu, Fan Yang
Abstract: Personalization is crucial for the widespread adoption of advanced driver assistance system. To match up with each user's preference, the online evolution capability is a must. However, conventional evolution methods learn from naturalistic driving data, which requires a lot computing power and cannot be applied online. To address this challenge, this paper proposes a lesson learning approach: learning from driver's takeover interventions. By leveraging online takeover data, the driving zone is generated to ensure perceived safety using Gaussian discriminant analysis. Real-time corrections to trajectory planning rewards are enacted through apprenticeship learning. Guided by the objective of optimizing rewards within the constraints of the driving zone, this approach employs model predictive control for trajectory planning. This lesson learning framework is highlighted for its faster evolution capability, adeptness at experience accumulating, assurance of perceived safety, and computational efficiency. Simulation results demonstrate that the proposed system consistently achieves a successful customization without further takeover interventions. Accumulated experience yields a 24% enhancement in evolution efficiency. The average number of learning iterations is only 13.8. The average computation time is 0.08 seconds.
Authors: Jonathan Vasquez, Carlotta Domeniconi, Huzefa Rangwala
Abstract: Machine Learning algorithms (ML) impact virtually every aspect of human lives and have found use across diverse sectors including healthcare, finance, and education. Often, ML algorithms have been found to exacerbate societal biases present in datasets leading to adversarial impacts on subsets/groups of individuals and in many cases on minority groups. To effectively mitigate these untoward effects, it is crucial that disparities/biases are identified early in a ML pipeline. This proactive approach facilitates timely interventions to prevent bias amplification and reduce complexity at later stages of model development. In this paper, we leverage recent advancements in usable information theory to introduce DispaRisk, a novel framework designed to proactively assess the potential risks of disparities in datasets during the initial stages of the ML pipeline. We evaluate DispaRisk's effectiveness by benchmarking it against commonly used datasets in fairness research. Our findings demonstrate DispaRisk's capabilities to identify datasets with a high risk of discrimination, detect model families prone to biases within an ML pipeline, and enhance the explainability of these bias risks. This work contributes to the development of fairer ML systems by providing a robust tool for early bias detection and mitigation.
Authors: Yuta Tarumi, Keisuke Fukuda, Shin-ichi Maeda
Abstract: State estimation for nonlinear state space models (SSMs) is a challenging task. Existing assimilation methodologies predominantly assume Gaussian posteriors on physical space, where true posteriors become inevitably non-Gaussian. We propose Deep Bayesian Filtering (DBF) for data assimilation on nonlinear SSMs. DBF constructs new latent variables $h_t$ in addition to the original physical variables $z_t$ and assimilates observations $o_t$. By (i) constraining the state transition on the new latent space to be linear and (ii) learning a Gaussian inverse observation operator $r(h_t|o_t)$, posteriors remain Gaussian. Notably, the structured design of test distributions enables an analytical formula for the recursive computation, eliminating the accumulation of Monte Carlo sampling errors across time steps. DBF trains the Gaussian inverse observation operators $r(h_t|o_t)$ and other latent SSM parameters (e.g., dynamics matrix) by maximizing the evidence lower bound. Experiments demonstrate that DBF outperforms model-based approaches and latent assimilation methods in tasks where the true posterior distribution on physical space is significantly non-Gaussian.
Authors: Zachary Bastiani, Robert M. Kirby, Jacob Hochhalter, Shandian Zhe
Abstract: We propose a novel deep symbolic regression approach to enhance the robustness and interpretability of data-driven mathematical expression discovery. Our work is aligned with the popular DSR framework which focuses on learning a data-specific expression generator, without relying on pretrained models or additional search or planning procedures. Despite the success of existing DSR methods, they are built on recurrent neural networks, solely guided by data fitness, and potentially meet tail barriers that can zero out the policy gradient, causing inefficient model updates. To overcome these limitations, we design a decoder-only architecture that performs attention in the frequency domain and introduce a dual-indexed position encoding to conduct layer-wise generation. Second, we propose a Bayesian information criterion (BIC)-based reward function that can automatically adjust the trade-off between expression complexity and data fitness, without the need for explicit manual tuning. Third, we develop a ranking-based weighted policy update method that eliminates the tail barriers and enhances training effectiveness. Extensive benchmarks and systematic experiments demonstrate the advantages of our approach.
Authors: Guy Bar-Shalom, Yam Eitan, Fabrizio Frasca, Haggai Maron
Abstract: Subgraph GNNs enhance message-passing GNNs expressivity by representing graphs as sets of subgraphs, demonstrating impressive performance across various tasks. However, their scalability is hindered by the need to process large numbers of subgraphs. While previous approaches attempted to generate smaller subsets of subgraphs through random or learnable sampling, these methods often yielded suboptimal selections or were limited to small subset sizes, ultimately compromising their effectiveness. This paper introduces a new Subgraph GNN framework to address these issues. Our approach diverges from most previous methods by associating subgraphs with node clusters rather than with individual nodes. We show that the resulting collection of subgraphs can be viewed as the product of coarsened and original graphs, unveiling a new connectivity structure on which we perform generalized message passing. Crucially, controlling the coarsening function enables meaningful selection of any number of subgraphs. In addition, we reveal novel permutation symmetries in the resulting node feature tensor, characterize associated linear equivariant layers, and integrate them into our Subgraph GNN. We also introduce novel node marking strategies and provide a theoretical analysis of their expressive power and other key aspects of our approach. Extensive experiments on multiple graph learning benchmarks demonstrate that our method is significantly more flexible than previous approaches, as it can seamlessly handle any number of subgraphs, while consistently outperforming baseline approaches. Our code is available at https://github.com/BarSGuy/Efficient-Subgraph-GNNs.
Authors: Gianluca De Carlo, Andrea Mastropietro, Aris Anagnostopoulos
Abstract: Graph neural networks (GNNs) excel in learning from network-like data but often lack interpretability, making their application challenging in domains requiring transparent decision-making. We propose the Graph Kolmogorov-Arnold Network (GKAN), a novel GNN model leveraging spline-based activation functions on edges to enhance both accuracy and interpretability. Our experiments on five benchmark datasets demonstrate that GKAN outperforms state-of-the-art GNN models in node classification, link prediction, and graph classification tasks. In addition to the improved accuracy, GKAN's design inherently provides clear insights into the model's decision-making process, eliminating the need for post-hoc explainability techniques. This paper discusses the methodology, performance, and interpretability of GKAN, highlighting its potential for applications in domains where interpretability is crucial.
Authors: Peter Sorrenson, Daniel Behrend-Uriarte, Christoph Schn\"orr, Ullrich K\"othe
Abstract: Density-based distances (DBDs) provide a principled approach to metric learning by defining distances in terms of the underlying data distribution. By employing a Riemannian metric that increases in regions of low probability density, shortest paths naturally follow the data manifold. Fermat distances, a specific type of DBD, have attractive properties, but existing estimators based on nearest neighbor graphs suffer from poor convergence due to inaccurate density estimates. Moreover, graph-based methods scale poorly to high dimensions, as the proposed geodesics are often insufficiently smooth. We address these challenges in two key ways. First, we learn densities using normalizing flows. Second, we refine geodesics through relaxation, guided by a learned score model. Additionally, we introduce a dimension-adapted Fermat distance that scales intuitively to high dimensions and improves numerical stability. Our work paves the way for the practical use of density-based distances, especially in high-dimensional spaces.
Authors: Zikui Cai, Yaoteng Tan, M. Salman Asif
Abstract: Machine unlearning methods aim to remove sensitive or unwanted content from trained models, but typically demand extensive model updates at significant computational cost while potentially degrading model performance on both related and unrelated tasks. We propose Single Layer Unlearning Gradient (SLUG) as an efficient method to unlearn targeted information by updating a single critical layer using a one-time gradient computation. SLUG uses layer importance and gradient alignment metrics to identify the optimal layer for targeted information removal while preserving the model utility. We demonstrate the effectiveness of SLUG for CLIP, Stable Diffusion, and vision-language models (VLMs) in removing concrete (e.g., identities and objects) and abstract concepts (e.g., artistic styles). On the UnlearnCanvas benchmark, SLUG achieves comparable unlearning performance to existing methods while requiring significantly less computational resources. Our proposed approach offers a practical solution for targeted unlearning that is computationally efficient and precise. Our code is available at https://github.com/CSIPlab/SLUG.
Authors: Mohammad Taufeeque, Philip Quirke, Maximilian Li, Chris Cundy, Aaron David Tucker, Adam Gleave, Adri\`a Garriga-Alonso
Abstract: Planning is essential for solving complex tasks, yet the internal mechanisms underlying planning in neural networks remain poorly understood. Building on prior work, we analyze a recurrent neural network (RNN) trained on Sokoban, a challenging puzzle requiring sequential, irreversible decisions. We find that the RNN has a causal plan representation which predicts its future actions about 50 steps in advance. The quality and length of the represented plan increases over the first few steps. We uncover a surprising behavior: the RNN "paces" in cycles to give itself extra computation at the start of a level, and show that this behavior is incentivized by training. Leveraging these insights, we extend the trained RNN to significantly larger, out-of-distribution Sokoban puzzles, demonstrating robust representations beyond the training regime. We open-source our model and code, and believe the neural network's interesting behavior makes it an excellent model organism to deepen our understanding of learned planning.
Authors: Xingcheng Xu, Zibo Zhao, Haipeng Zhang, Yanqing Yang
Abstract: Transformer-based models excel in various tasks but their generalization capabilities, especially in arithmetic reasoning, remain incompletely understood. Arithmetic tasks provide a controlled framework to explore these capabilities, yet performance anomalies persist, such as inconsistent effectiveness in multiplication and erratic generalization in modular addition (e.g., modulo 100 vs. 101). This paper develops a unified theoretical framework for understanding the generalization behaviors of transformers in arithmetic tasks, focusing on length generalization. Through detailed analysis of addition, multiplication, and modular operations, we reveal that translation invariance in addition aligns with relative positional encoding for robust generalization, while base mismatch in modular operations disrupts this alignment. Experiments across GPT-family models validate our framework, confirming its ability to predict generalization behaviors. Our work highlights the importance of task structure and training data distribution for achieving data-efficient and structure-aware training, providing a systematic approach to understanding of length generalization in transformers.
Authors: Yifan Yang, Ali Payani, Parinaz Naghizadeh
Abstract: Federated Learning (FL) has been a pivotal paradigm for collaborative training of machine learning models across distributed datasets. In heterogeneous settings, it has been observed that a single shared FL model can lead to low local accuracy, motivating personalized FL algorithms. In parallel, fair FL algorithms have been proposed to enforce group fairness on the global models. Again, in heterogeneous settings, global and local fairness do not necessarily align, motivating the recent literature on locally fair FL. In this paper, we propose new FL algorithms for heterogeneous settings, spanning the space between personalized and locally fair FL. Building on existing clustering-based personalized FL methods, we incorporate a new fairness metric into cluster assignment, enabling a tunable balance between local accuracy and fairness. Our methods match or exceed the performance of existing locally fair FL approaches, without explicit fairness intervention. We further demonstrate (numerically and analytically) that personalization alone can improve local fairness and that our methods exploit this alignment when present.
Authors: Kaden McKeen, Sameer Masood, Augustin Toma, Barry Rubin, Bo Wang
Abstract: Conventional task-specific electrocardiogram (ECG) analysis models require large annotated datasets to train. Foundation models mitigate this burden by leveraging self-supervised pretraining; however, the scarcity of open-weight ECG foundation models hinders adoption and cross-study comparability. We present ECG-FM, an open foundation model for ECG analysis, and conduct a study using a dataset of 1.5 million ECGs. ECG-FM is a transformer-based model pretrained using a hybrid contrastive and generative self-supervised learning approach. Our downstream tasks include predicting reduced left ventricular ejection fraction (LVEF) and ECG interpretation labels, where we release a benchmark task on the MIMIC-IV-ECG dataset. We affirm that ECG-FM is robust, label-efficient, and functionally discriminative by showcasing data scaling experiments, performing a latent space analysis, and generating saliency maps. ECG-FM markedly outperforms task-specific models in the small-to-medium-scale data regime and demonstrates cross-dataset generalizability, achieving high AUROC on many clinically salient labels such as atrial fibrillation (0.996) and LVEF<=40% (0.929). We release our code, model weights, and benchmark task at https://github.com/bowang-lab/ECG-FM/.
Authors: Yunxiao Shi, Wujiang Xu, Haimin Zhang, Qiang Wu, Min Xu
Abstract: Modeling high-order feature interactions is crucial for click-through rate (CTR) prediction, and traditional approaches often predefine a maximum interaction order and rely on exhaustive enumeration of feature combinations up to this predefined order. This framework heavily relies on prior domain knowledge to define interaction scope and entails high computational costs from enumeration. Conventional CTR models face a trade-off between improving representation through complex high-order feature interactions and reducing computational inefficiencies associated with these processes. To address this dual challenge, this study introduces the Kolmogorov-Arnold Represented Sparse Efficient Interaction Network (KarSein). Drawing inspiration from the learnable activation mechanism in the Kolmogorov-Arnold Network (KAN), KarSein leverages this mechanism to adaptively transform low-order basic features into high-order feature interactions, offering a novel approach to feature interaction modeling. KarSein extends the capabilities of KAN by introducing a more efficient architecture that significantly reduces computational costs while accommodating two-dimensional embedding vectors as feature inputs. Furthermore, it overcomes the limitation of KAN's its inability to spontaneously capture multiplicative relationships among features. Extensive experiments highlight the superiority of KarSein, demonstrating its ability to surpass not only the vanilla implementation of KAN in CTR predictio but also other baseline methods. Remarkably, KarSein achieves exceptional predictive accuracy while maintaining a highly compact parameter size and minimal computational overhead. As the first attempt to apply KAN in the CTR domain, this work introduces KarSein as a novel solution for modeling complex feature interactions, underscoring its transformative potential in advancing CTR prediction task.
Authors: H. Brendan McMahan, Zheng Xu, Yanxiang Zhang
Abstract: The state-of-the-art for training on-device language models for mobile keyboard applications combines federated learning (FL) with differential privacy (DP) via the DP-Follow-the-Regularized-Leader (DP-FTRL) algorithm. Two variants of DP-FTRL are used in practice, tree aggregation and matrix factorization. However, tree aggregation suffers from significantly suboptimal privacy/utility tradeoffs, while matrix mechanisms require expensive optimization parameterized by hard-to-estimate-in-advance constants, and high runtime memory costs. This paper extends the recently introduced Buffered Linear Toeplitz (BLT) mechanism to multi-participation scenarios. Our BLT-DP-FTRL maintains the ease-of-use advantages of tree aggregation, while essentially matching matrix factorization in terms of utility and privacy. We evaluate BLT-DP-FTRL on the StackOverflow dataset, serving as a re-producible simulation benchmark, and across four on-device language model tasks in a production FL system. Our empirical results highlight the advantages of the BLT mechanism and elevate the practicality and effectiveness of DP in real-world scenarios.
Authors: Kening Zheng, Junkai Chen, Yibo Yan, Xin Zou, Xuming Hu
Abstract: Hallucination issues continue to affect multimodal large language models (MLLMs), with existing research mainly addressing object-level or attribute-level hallucinations, neglecting the more complex relation hallucinations that require advanced reasoning. Current benchmarks for relation hallucinations lack detailed evaluation and effective mitigation, and their datasets often suffer from biases due to systematic annotation processes. To address these challenges, we introduce Reefknot, a comprehensive benchmark targeting relation hallucinations, comprising over 20,000 real-world samples. We provide a systematic definition of relation hallucinations, integrating perceptive and cognitive perspectives, and construct a relation-based corpus using the Visual Genome scene graph dataset. Our comparative evaluation reveals significant limitations in current MLLMs' ability to handle relation hallucinations. Additionally, we propose a novel confidence-based mitigation strategy, which reduces the hallucination rate by an average of 9.75% across three datasets, including Reefknot. Our work offers valuable insights for achieving trustworthy multimodal intelligence.
Authors: Bao Duong, Hung Le, Biwei Huang, Thin Nguyen
Abstract: Recently, reinforcement learning (RL) has proved a promising alternative for conventional local heuristics in score-based approaches to learning directed acyclic causal graphs (DAGs) from observational data. However, the intricate acyclicity constraint still challenges the efficient exploration of the vast space of DAGs in existing methods. In this study, we introduce ALIAS (reinforced dAg Learning wIthout Acyclicity conStraints), a novel approach to causal discovery powered by the RL machinery. Our method features an efficient policy for generating DAGs in just a single step with an optimal quadratic complexity, fueled by a novel parametrization of DAGs that directly translates a continuous space to the space of all DAGs, bypassing the need for explicitly enforcing acyclicity constraints. This approach enables us to navigate the search space more effectively by utilizing policy gradient methods and established scoring functions. In addition, we provide compelling empirical evidence for the strong performance of ALIAS in comparison with state-of-the-arts in causal discovery over increasingly difficult experiment conditions on both synthetic and real datasets.
Authors: Chansung Park, Juyong Jiang, Fan Wang, Sayak Paul, Jing Tang
Abstract: The widespread adoption of cloud-based proprietary large language models (LLMs) has introduced significant challenges, including operational dependencies, privacy concerns, and the necessity of continuous internet connectivity. In this work, we introduce an LLMOps pipeline, "LlamaDuo", for the seamless migration of knowledge and abilities from service-oriented LLMs to smaller, locally manageable models. This pipeline is crucial for ensuring service continuity in the presence of operational failures, strict privacy policies, or offline requirements. Our LlamaDuo involves fine-tuning a small language model against the service LLM using a synthetic dataset generated by the latter. If the performance of the fine-tuned model falls short of expectations, it is automatically improved through additional fine-tuning using extra similar data generated by the service LLM. This multi-turn process guarantees that the smaller model can eventually match or even surpass the service LLM's capabilities in specific downstream tasks, offering a practical and scalable solution for managing AI deployments in constrained environments. Extensive experiments with leading-edge LLMs are conducted to demonstrate the effectiveness, adaptability, and affordability of LlamaDuo across various downstream tasks. Our pipeline implementation is available at https://github.com/deep-diver/llamaduo.
Authors: Giorgio Piras, Maura Pintor, Ambra Demontis, Battista Biggio, Giorgio Giacinto, Fabio Roli
Abstract: Recent work has proposed neural network pruning techniques to reduce the size of a network while preserving robustness against adversarial examples, i.e., well-crafted inputs inducing a misclassification. These methods, which we refer to as adversarial pruning methods, involve complex and articulated designs, making it difficult to analyze the differences and establish a fair and accurate comparison. In this work, we overcome these issues by surveying current adversarial pruning methods and proposing a novel taxonomy to categorize them based on two main dimensions: the pipeline, defining when to prune; and the specifics, defining how to prune. We then highlight the limitations of current empirical analyses and propose a novel, fair evaluation benchmark to address them. We finally conduct an empirical re-evaluation of current adversarial pruning methods and discuss the results, highlighting the shared traits of top-performing adversarial pruning methods, as well as common issues. We welcome contributions in our publicly-available benchmark at https://github.com/pralab/AdversarialPruningBenchmark
Authors: Ronald Katende
Abstract: We establish a unified theoretical framework addressing the stability, consistency, and convergence of neural networks under realistic training conditions, specifically, in the presence of non-IID data, geometric constraints, and embedded physical laws. For standard supervised learning with dependent data, we derive uniform stability bounds for gradient-based methods using mixing coefficients and dynamic learning rates. In federated learning with heterogeneous data and non-Euclidean parameter spaces, we quantify model inconsistency via curvature-aware aggregation and information-theoretic divergence. For Physics-Informed Neural Networks (PINNs), we rigorously prove perturbation stability, residual consistency, Sobolev convergence, energy stability for conservation laws, and convergence under adaptive multi-domain refinements. Each result is grounded in variational analysis, compactness arguments, and universal approximation theorems in Sobolev spaces. Our theoretical guarantees are validated across parabolic, elliptic, and hyperbolic PDEs, confirming that residual minimization aligns with physical solution accuracy. This work offers a mathematically principled basis for designing robust, generalizable, and physically coherent neural architectures across diverse learning environments.
Authors: Menghua Wu, Umesh Padia, Sean H. Murphy, Regina Barzilay, Tommi Jaakkola
Abstract: Identifying variables responsible for changes to a biological system enables applications in drug target discovery and cell engineering. Given a pair of observational and interventional datasets, the goal is to isolate the subset of observed variables that were the targets of the intervention. Directly applying causal discovery algorithms is challenging: the data may contain thousands of variables with as few as tens of samples per intervention, and biological systems do not adhere to classical causality assumptions. We propose a causality-inspired approach to address this practical setting. First, we infer noisy causal graphs from the observational and interventional data. Then, we learn to map the differences between these graphs, along with additional statistical features, to sets of variables that were intervened upon. Both modules are jointly trained in a supervised framework, on simulated and real data that reflect the nature of biological interventions. This approach consistently outperforms baselines for perturbation modeling on seven single-cell transcriptomics datasets. We also demonstrate significant improvements over current causal discovery methods for predicting soft and hard intervention targets across a variety of synthetic data.
Authors: Changdae Oh, Yixuan Li, Kyungwoo Song, Sangdoo Yun, Dongyoon Han
Abstract: Adapting a pre-trained foundation model on downstream tasks should ensure robustness against distribution shifts without the need to retrain the whole model. Although existing weight interpolation methods are simple yet effective, we argue that their static nature limits downstream performance while achieving efficiency. In this work, we propose DaWin, a training-free dynamic weight interpolation method that leverages the entropy of individual models over each unlabeled test sample to assess model expertise, and compute per-sample interpolation coefficients dynamically. Unlike previous works that typically rely on additional training to learn such coefficients, our approach requires no training. Then, we propose a mixture modeling approach that greatly reduces inference overhead raised by dynamic interpolation. We validate DaWin on the large-scale visual recognition benchmarks, spanning 14 tasks across robust fine-tuning -- ImageNet and derived five distribution shift benchmarks -- and multi-task learning with eight classification tasks. Results demonstrate that DaWin achieves significant performance gain in considered settings, with minimal computational overhead. We further discuss DaWin's analytic behavior to explain its empirical success.
Authors: Michael Sucker, Peter Ochs
Abstract: Learning-to-optimize leverages machine learning to accelerate optimization algorithms. While empirical results show tremendous improvements compared to classical optimization algorithms, theoretical guarantees are mostly lacking, such that the outcome cannot be reliably assured. Especially, convergence is hardly studied in learning-to-optimize, because conventional convergence guarantees in optimization are based on geometric arguments, which cannot be applied easily to learned algorithms. Thus, we develop a probabilistic framework that resembles classical optimization and allows for transferring geometric arguments into learning-to-optimize. Based on our new proof-strategy, our main theorem is a generalization result for parametric classes of potentially non-smooth, non-convex loss functions and establishes the convergence of learned optimization algorithms to critical points with high probability. This effectively generalizes the results of a worst-case analysis into a probabilistic framework, and frees the design of the learned algorithm from using safeguards.
Authors: Anjiang Wei, Allen Nie, Thiago S. F. X. Teixeira, Rohan Yadav, Wonchan Lee, Ke Wang, Alex Aiken
Abstract: Modern scientific discovery increasingly relies on high-performance computing for complex modeling and simulation. A key challenge in improving parallel program performance is efficiently mapping tasks to processors and data to memory, a process dictated by intricate, low-level system code known as mappers. Developing high-performance mappers demands days of manual tuning, posing a significant barrier for domain scientists without systems expertise. We introduce a framework that automates mapper development with generative optimization, leveraging richer feedback beyond scalar performance metrics. Our approach features the Agent-System Interface, which includes a Domain-Specific Language (DSL) to abstract away the low-level complexity of system code and define a structured search space, as well as AutoGuide, a mechanism that interprets raw execution output into actionable feedback. Unlike traditional reinforcement learning methods such as OpenTuner, which rely solely on scalar feedback, our method finds superior mappers in far fewer iterations. With just 10 iterations, it outperforms OpenTuner even after 1000 iterations, achieving 3.8X faster performance. Our approach finds mappers that surpass expert-written mappers by up to 1.34X speedup across nine benchmarks while reducing tuning time from days to minutes.
Authors: Valentyn Boreiko, Alexander Panfilov, Vaclav Voracek, Matthias Hein, Jonas Geiping
Abstract: A plethora of jailbreaking attacks have been proposed to obtain harmful responses from safety-tuned LLMs. These methods largely succeed in coercing the target output in their original settings, but their attacks vary substantially in fluency and computational effort. In this work, we propose a unified threat model for the principled comparison of these methods. Our threat model checks if a given jailbreak is likely to occur in the distribution of text. For this, we build an N-gram language model on 1T tokens, which, unlike model-based perplexity, allows for an LLM-agnostic, nonparametric, and inherently interpretable evaluation. We adapt popular attacks to this threat model, and, for the first time, benchmark these attacks on equal footing with it. After an extensive comparison, we find attack success rates against safety-tuned modern models to be lower than previously presented and that attacks based on discrete optimization significantly outperform recent LLM-based attacks. Being inherently interpretable, our threat model allows for a comprehensive analysis and comparison of jailbreak attacks. We find that effective attacks exploit and abuse infrequent bigrams, either selecting the ones absent from real-world text or rare ones, e.g., specific to Reddit or code datasets.
Authors: Yifan Sun, Yuhang Li, Yue Zhang, Yuchen Jin, Huan Zhang
Abstract: The ever-increasing size of open-source Large Language Models (LLMs) renders local deployment impractical for individual users. Decentralized computing has emerged as a cost-effective solution, allowing individuals and small companies to perform LLM inference for users using surplus computational power. However, a computing provider may stealthily substitute the requested LLM with a smaller, less capable model without consent from users, thereby benefiting from cost savings. We introduce SVIP, a secret-based verifiable LLM inference protocol. Unlike existing solutions based on cryptographic or game-theoretic techniques, our method is computationally effective and does not rest on strong assumptions. Our protocol requires the computing provider to return both the generated text and processed hidden representations from LLMs. We then train a proxy task on these representations, effectively transforming them into a unique model identifier. With our protocol, users can reliably verify whether the computing provider is acting honestly. A carefully integrated secret mechanism further strengthens its security. We thoroughly analyze our protocol under multiple strong and adaptive adversarial scenarios. Our extensive experiments demonstrate that SVIP is accurate, generalizable, computationally efficient, and resistant to various attacks. Notably, SVIP achieves false negative rates below 5% and false positive rates below 3%, while requiring less than 0.01 seconds per prompt query for verification.
Authors: Viacheslav Surkov, Chris Wendler, Antonio Mari, Mikhail Terekhov, Justin Deschenaux, Robert West, Caglar Gulcehre, David Bau
Abstract: For large language models (LLMs), sparse autoencoders (SAEs) have been shown to decompose intermediate representations that often are not interpretable directly into sparse sums of interpretable features, facilitating better control and subsequent analysis. However, similar analyses and approaches have been lacking for text-to-image models. We investigate the possibility of using SAEs to learn interpretable features for SDXL Turbo, a few-step text-to-image diffusion model. To this end, we train SAEs on the updates performed by transformer blocks within SDXL Turbo's denoising U-net in its 1-step setting. Interestingly, we find that they generalize to 4-step SDXL Turbo and even to the multi-step SDXL base model (i.e., a different model) without additional training. In addition, we show that their learned features are interpretable, causally influence the generation process, and reveal specialization among the blocks. We do so by creating RIEBench, a representation-based image editing benchmark, for editing images while they are generated by turning on and off individual SAE features. This allows us to track which transformer blocks' features are the most impactful depending on the edit category. Our work is the first investigation of SAEs for interpretability in text-to-image diffusion models and our results establish SAEs as a promising approach for understanding and manipulating the internal mechanisms of text-to-image models.
Authors: Jabin Koo, Minwoo Jang, Jungseul Ok
Abstract: Federated fine-tuning for Large Language Models (LLMs) faces significant challenges due to the heavy communication overhead of transmitting large model updates. Although Low Rank Adaptation (LoRA) has been proposed as a solution, yet its application in federated learning is complicated by discordance in aggregation. Existing methods addressing this discordance often suffer from performance degradation at low ranks in heterogeneous data settings. In response, we introduce LoRA-A$^2$ (Low Rank Adaptation with Alternating freeze and Adaptive rank selection), which demonstrates robustness in challenging settings with low ranks and high data heterogeneity. Our experimental findings reveal that LoRA-A$^2$ maintains performance even under extreme heterogeneity and low rank conditions, achieving up to a significant reduction in uploaded parameters compared to full fine-tuning without compromising performance. This adaptive mechanism increases robustness and communication efficiency in federated fine-tuning, enabling the practical deployment of LLMs in resource-constrained environments.
Authors: Eldar Kurtic, Alexandre Marques, Shubhra Pandit, Mark Kurtz, Dan Alistarh
Abstract: Quantization is a powerful tool for accelerating large language model (LLM) inference, but the accuracy-performance trade-offs across different formats remain unclear. In this paper, we conduct the most comprehensive empirical study to date, evaluating FP8, INT8, and INT4 quantization across academic benchmarks and real-world tasks on the entire Llama-3.1 model family. Through over 500,000 evaluations, our investigation yields several key findings: (1) FP8 (W8A8-FP) is effectively lossless across all model scales, (2) well-tuned INT8 (W8A8-INT) achieves surprisingly low (1-3\%) accuracy degradation, and (3) INT4 weight-only (W4A16-INT) is more competitive than expected, rivaling 8-bit quantization. Further, we investigate the optimal quantization format for different deployments by analyzing inference performance through the popular vLLM framework. Our analysis provides clear deployment recommendations: W4A16 is the most cost-efficient for synchronous setups, while W8A8 dominates in asynchronous continuous batching. For mixed workloads, the optimal choice depends on the specific use case. Our findings offer practical, data-driven guidelines for deploying quantized LLMs at scale -- ensuring the best balance between speed, efficiency, and accuracy.
Authors: Reza Asad, Reza Babanezhad, Issam Laradji, Nicolas Le Roux, Sharan Vaswani
Abstract: Natural policy gradient (NPG) is a common policy optimization algorithm and can be viewed as mirror ascent in the space of probabilities. Recently, Vaswani et al. [2021] introduced a policy gradient method that corresponds to mirror ascent in the dual space of logits. We refine this algorithm, removing its need for a normalization across actions and analyze the resulting method (referred to as SPMA). For tabular MDPs, we prove that SPMA with a constant step-size matches the linear convergence of NPG and achieves a faster convergence than constant step-size (accelerated) softmax policy gradient. To handle large state-action spaces, we extend SPMA to use a log-linear policy parameterization. Unlike that for NPG, generalizing SPMA to the linear function approximation (FA) setting does not require compatible function approximation. Unlike MDPO, a practical generalization of NPG, SPMA with linear FA only requires solving convex softmax classification problems. We prove that SPMA achieves linear convergence to the neighbourhood of the optimal value function. We extend SPMA to handle non-linear FA and evaluate its empirical performance on the MuJoCo and Atari benchmarks. Our results demonstrate that SPMA consistently achieves similar or better performance compared to MDPO, PPO and TRPO.
Authors: Wenxuan Xie, Fanpu Cao
Abstract: In recent work on time-series prediction, Transformers and even large language models have garnered significant attention due to their strong capabilities in sequence modeling. However, in practical deployments, time-series prediction often requires operation in resource-constrained environments, such as edge devices, which are unable to handle the computational overhead of large models. To address such scenarios, some lightweight models have been proposed, but they exhibit poor performance on non-stationary sequences. In this paper, we propose $\textit{SWIFT}$, a lightweight model that is not only powerful, but also efficient in deployment and inference for Long-term Time Series Forecasting (LTSF). Our model is based on three key points: (i) Utilizing wavelet transform to perform lossless downsampling of time series. (ii) Achieving cross-band information fusion with a learnable filter. (iii) Using only one shared linear layer or one shallow MLP for sub-series' mapping. We conduct comprehensive experiments, and the results show that $\textit{SWIFT}$ achieves state-of-the-art (SOTA) performance on multiple datasets, offering a promising method for edge computing and deployment in this task. Moreover, it is noteworthy that the number of parameters in $\textit{SWIFT-Linear}$ is only 25\% of what it would be with a single-layer linear model for time-domain prediction. Our code is available at https://github.com/LancelotXWX/SWIFT.
Authors: Christopher Subich, Syed Zahid Husain, Leo Separovic, Jing Yang
Abstract: Recent advancements in data-driven weather forecasting models have delivered deterministic models that outperform the leading operational forecast systems based on traditional, physics-based models. However, these data-driven models are typically trained with a mean squared error loss function, which causes smoothing of fine scales through a "double penalty" effect. We develop a simple, parameter-free modification to this loss function that avoids this problem by separating the loss attributable to decorrelation from the loss attributable to spectral amplitude errors. Fine-tuning the GraphCast model with this new loss function results in sharp deterministic weather forecasts, an increase of the model's effective resolution from 1,250km to 160km, improvements to ensemble spread, and improvements to predictions of tropical cyclone strength and surface wind extremes.
Authors: Yong Liu, Guo Qin, Zhiyuan Shi, Zhi Chen, Caiyin Yang, Xiangdong Huang, Jianmin Wang, Mingsheng Long
Abstract: We introduce Sundial, a family of native, flexible, and scalable time series foundation models. To predict the next-patch's distribution, we propose a TimeFlow Loss based on flow-matching, which facilitates native pre-training of Transformers on continuous-valued time series without discrete tokenization. Conditioned on arbitrary-length time series, our models are pre-trained without specifying any prior distribution and can generate multiple probable predictions, achieving more flexibility in representation learning than using parametric densities. Towards time series foundation models, we leverage minimal but crucial adaptations of Transformers and curate TimeBench with one trillion time points, comprising mostly real-world datasets and synthetic data. By mitigating mode collapse via TimeFlow Loss, we pre-train a family of Sundial models on TimeBench, which achieve unprecedented model capacity and generalization performance. In addition to excellent scalability, Sundial achieves state-of-the-art results on both point and probabilistic forecasting benchmarks with a just-in-time inference speed, i.e., making zero-shot predictions within a few milliseconds. We believe that Sundial's pioneering generative forecasting capability can improve model reliability in real-world decision-making. Code is available at: https://github.com/thuml/Sundial.
Authors: Chhavi Yadav, Evan Monroe Laufer, Dan Boneh, Kamalika Chaudhuri
Abstract: In principle, explanations are intended as a way to increase trust in machine learning models and are often obligated by regulations. However, many circumstances where these are demanded are adversarial in nature, meaning the involved parties have misaligned interests and are incentivized to manipulate explanations for their purpose. As a result, explainability methods fail to be operational in such settings despite the demand \cite{bordt2022post}. In this paper, we take a step towards operationalizing explanations in adversarial scenarios with Zero-Knowledge Proofs (ZKPs), a cryptographic primitive. Specifically we explore ZKP-amenable versions of the popular explainability algorithm LIME and evaluate their performance on Neural Networks and Random Forests. Our code is publicly available at https://github.com/emlaufer/ExpProof.
Authors: Haoyu Wang, Zeyu Qin, Li Shen, Xueqian Wang, Dacheng Tao, Minhao Cheng
Abstract: Training safe LLMs remains a critical challenge. The most widely used method, Refusal Training (RT), struggles to generalize against various Out-of-Distribution (OOD) jailbreaking attacks. Although various advanced methods have been proposed to address this issue, we instead question whether OOD attacks inherently surpass the capability of vanilla RT. Evaluations using Best-of-N (BoN) reveal significant safety improvements as N increases, indicating models possess adequate latent safety knowledge but RT fails to consistently elicit it under OOD scenarios. Further domain adaptation analysis reveals that direct RT causes reliance on superficial shortcuts, resulting in non-generalizable representation mappings. Inspired by our findings, we propose training model to perform safety reasoning for each query. Specifically, we synthesize reasoning supervision aligned with specified guidelines that reflect diverse perspectives on safety knowledge. This encourages model to engage in deeper reasoning, explicitly eliciting and utilizing latent safety knowledge for each query. Extensive experiments show that our method significantly improves model generalization against OOD attacks.
Authors: Congjie He, Yeqi Huang, Pei Mu, Ziming Miao, Jilong Xue, Lingxiao Ma, Fan Yang, Luo Mai
Abstract: Emerging AI accelerators increasingly adopt wafer-scale manufacturing technologies, integrating hundreds of thousands of AI cores in a mesh architecture with large distributed on-chip memory (tens of GB in total) and ultra-high on-chip memory bandwidth (tens of PB/s). However, current LLM inference systems, optimized for shared memory architectures like GPUs, fail to exploit these accelerators fully. We introduce WaferLLM, the first wafer-scale LLM inference system. WaferLLM is guided by a novel PLMR model (pronounced as "Plummer") that captures the unique hardware characteristics of wafer-scale architectures. Leveraging this model, WaferLLM pioneers wafer-scale LLM parallelism, optimizing the utilization of hundreds of thousands of on-chip cores. It also introduces MeshGEMM and MeshGEMV, the first GEMM and GEMV implementations designed to scale effectively on wafer-scale accelerators. Evaluations show that WaferLLM achieves up to 200$\times$ higher accelerator utilization than state-of-the-art methods. Leveraging a wafer-scale accelerator (Cerebras WSE2), WaferLLM delivers GEMV operations 606$\times$ faster and 16$\times$ more energy-efficient than on an NVIDIA A100 GPU. For full LLM inference, WaferLLM achieves 10-20$\times$ speedups over A100 GPU clusters running SGLang and vLLM. These advantages are expected to grow as wafer-scale AI models, software, and hardware continue to mature. WaferLLM is open-sourced at https://github.com/MeshInfra/WaferLLM.
Authors: Daniel Marczak, Simone Magistri, Sebastian Cygert, Bart{\l}omiej Twardowski, Andrew D. Bagdanov, Joost van de Weijer
Abstract: Model merging integrates the weights of multiple task-specific models into a single multi-task model. Despite recent interest in the problem, a significant performance gap between the combined and single-task models remains. In this paper, we investigate the key characteristics of task matrices -- weight update matrices applied to a pre-trained model -- that enable effective merging. We show that alignment between singular components of task-specific and merged matrices strongly correlates with performance improvement over the pre-trained model. Based on this, we propose an isotropic merging framework that flattens the singular value spectrum of task matrices, enhances alignment, and reduces the performance gap. Additionally, we incorporate both common and task-specific subspaces to further improve alignment and performance. Our proposed approach achieves state-of-the-art performance on vision and language tasks across various sets of tasks and model scales. This work advances the understanding of model merging dynamics, offering an effective methodology to merge models without requiring additional training. Code is available at https://github.com/danielm1405/iso-merging .
Authors: Yaohua Zang, Phaedon-Stelios Koutsourelakis
Abstract: Solving parametric partial differential equations (PDEs) and associated PDE-based, inverse problems is a central task in engineering and physics, yet existing neural operator methods struggle with high-dimensional, discontinuous inputs and require large amounts of {\em labeled} training data. We propose the Deep Generative Neural Operator (DGenNO), a physics-aware framework that addresses these challenges by leveraging a deep, generative, probabilistic model in combination with a set of lower-dimensional, latent variables that simultaneously encode PDE-inputs and PDE-outputs. This formulation can make use of unlabeled data and significantly improves inverse problem-solving, particularly for discontinuous or discrete-valued input functions. DGenNO enforces physics constraints without labeled data by incorporating as virtual observables, weak-form residuals based on compactly supported radial basis functions (CSRBFs). These relax regularity constraints and eliminate higher-order derivatives from the objective function. We also introduce MultiONet, a novel neural operator architecture, which is a more expressive generalization of the popular DeepONet that significantly enhances the approximating power of the proposed model. These innovations make DGenNO particularly effective for challenging forward and inverse, PDE-based problems, such as those involving multi-phase media. Numerical experiments demonstrate that DGenNO achieves higher accuracy across multiple benchmarks while exhibiting robustness to noise and strong generalization to out-of-distribution cases. Its adaptability, and the ability to handle sparse, noisy data while providing probabilistic estimates, make DGenNO a powerful tool for scientific and engineering applications.
Authors: Soobin Um, Beomsu Kim, Jong Chul Ye
Abstract: Minority samples are underrepresented instances located in low-density regions of a data manifold, and are valuable in many generative AI applications, such as data augmentation, creative content generation, etc. Unfortunately, existing diffusion-based minority generators often rely on computationally expensive guidance dedicated for minority generation. To address this, here we present a simple yet powerful guidance-free approach called Boost-and-Skip for generating minority samples using diffusion models. The key advantage of our framework requires only two minimal changes to standard generative processes: (i) variance-boosted initialization and (ii) timestep skipping. We highlight that these seemingly-trivial modifications are supported by solid theoretical and empirical evidence, thereby effectively promoting emergence of underrepresented minority features. Our comprehensive experiments demonstrate that Boost-and-Skip greatly enhances the capability of generating minority samples, even rivaling guidance-based state-of-the-art approaches while requiring significantly fewer computations. Code is available at https://github.com/soobin-um/BnS.
Authors: Eren Mehmet K{\i}ral, Nur\c{s}en Ayd{\i}n, \c{S}. \.Ilker Birbil
Abstract: There is a growing need for investigating how machine learning models operate. With this work, we aim to understand trained machine learning models by questioning their data preferences. We propose a mathematical framework that allows us to probe trained models and identify their preferred samples in various scenarios including prediction-risky, parameter-sensitive, or model-contrastive samples. To showcase our framework, we pose these queries to a range of models trained on a range of classification and regression tasks, and receive answers in the form of generated data.
Authors: Xuefeng Liu, Hung T. C. Le, Siyu Chen, Rick Stevens, Zhuoran Yang, Matthew R. Walter, Yuxin Chen
Abstract: Online reinforcement learning (RL) enhances policies through direct interactions with the environment, but faces challenges related to sample efficiency. In contrast, offline RL leverages extensive pre-collected data to learn policies, but often produces suboptimal results due to limited data coverage. Recent efforts integrate offline and online RL in order to harness the advantages of both approaches. However, effectively combining online and offline RL remains challenging due to issues that include catastrophic forgetting, lack of robustness to data quality and limited sample efficiency in data utilization. In an effort to address these challenges, we introduce A3RL, which incorporates a novel confidence aware Active Advantage Aligned (A3) sampling strategy that dynamically prioritizes data aligned with the policy's evolving needs from both online and offline sources, optimizing policy improvement. Moreover, we provide theoretical insights into the effectiveness of our active sampling strategy and conduct diverse empirical experiments and ablation studies, demonstrating that our method outperforms competing online RL techniques that leverage offline data. Our code will be publicly available at:https://github.com/xuefeng-cs/A3RL.
Authors: Shiqian Li, Ruihong Shen, Yaoyu Tao, Chi Zhang, Yixin Zhu
Abstract: Physical reasoning is a remarkable human ability that enables rapid learning and generalization from limited experience. Current AI models, despite extensive training, still struggle to achieve similar generalization, especially in Out-of-distribution (OOD) settings. This limitation stems from their inability to abstract core physical principles from observations. A key challenge is developing representations that can efficiently learn and generalize physical dynamics from minimal data. Here we present Neural Force Field (NFF), a framework extending Neural Ordinary Differential Equation (NODE) to learn complex object interactions through force field representations, which can be efficiently integrated through an Ordinary Differential Equation (ODE) solver to predict object trajectories. Unlike existing approaches that rely on discrete latent spaces, NFF captures fundamental physical concepts such as gravity, support, and collision in continuous explicit force fields. Experiments on three challenging physical reasoning tasks demonstrate that NFF, trained with only a few examples, achieves strong generalization to unseen scenarios. This physics-grounded representation enables efficient forward-backward planning and rapid adaptation through interactive refinement. Our work suggests that incorporating physics-inspired representations into learning systems can help bridge the gap between artificial and human physical reasoning capabilities.
Authors: Yuankai Luo, Lei Shi, Xiao-Ming Wu
Abstract: Message-passing Graph Neural Networks (GNNs) are often criticized for their limited expressiveness, issues like over-smoothing and over-squashing, and challenges in capturing long-range dependencies. Conversely, Graph Transformers (GTs) are regarded as superior due to their employment of global attention mechanisms, which potentially mitigate these challenges. Literature frequently suggests that GTs outperform GNNs in graph-level tasks, especially for graph classification and regression on small molecular graphs. In this study, we explore the untapped potential of GNNs through an enhanced framework, GNN+, which integrates six widely used techniques: edge feature integration, normalization, dropout, residual connections, feed-forward networks, and positional encoding, to effectively tackle graph-level tasks. We conduct a systematic re-evaluation of three classic GNNs (GCN, GIN, and GatedGCN) enhanced by the GNN+ framework across 14 well-known graph-level datasets. Our results reveal that, contrary to prevailing beliefs, these classic GNNs consistently match or surpass the performance of GTs, securing top-three rankings across all datasets and achieving first place in eight. Furthermore, they demonstrate greater efficiency, running several times faster than GTs on many datasets. This highlights the potential of simple GNN architectures, challenging the notion that complex mechanisms in GTs are essential for superior graph-level performance. Our source code is available at https://github.com/LUOyk1999/GNNPlus.
Authors: Junhao Hu, Wenrui Huang, Weidong Wang, Zhenwen Li, Tiancheng Hu, Zhixia Liu, Xusheng Chen, Tao Xie, Yizhou Shan
Abstract: Large Language Models (LLMs) have demonstrated strong capabilities across various domains, with recent advancements in challenging reasoning tasks such as mathematics and programming. However, solving reasoning tasks often requires an LLM to generate long sequences, incurring $O(N)$ time and memory complexities per token, where $N$ is the current sequence length. To reduce complexities, existing sparsity-based algorithms propose to retain Key-Value (KV) vectors, the intermediate representations of only the most critical tokens. However, these algorithms struggle with the "impossible trinity" of accuracy, time, and memory. For example, the state-of-the-art algorithm, Quest, achieves high accuracy with $O(L)$ time but $O(N)$ memory ($L$ is the cache budget, $L \ll N$). To address the "impossible trinity", in this paper, we identify a new attention pattern during the decode stage of reasoning tasks, where milestone tokens (analogous to lemmas in mathematical proofs) emerge, are utilized, and then become unimportant afterward. Based on this pattern, we propose a new algorithm RaaS that identifies milestone tokens and retains their KV vectors until they are no longer needed, achieving high accuracy with $O(L)$ time and $O(L)$ memory complexities.
Authors: Yunzhe Hu, Difan Zou, Dong Xu
Abstract: Transformer-based models have achieved remarkable success, but their core components, Transformer layers, are largely heuristics-driven and engineered from the bottom up, calling for a prototypical model with high interpretability and practical competence. To this end, we conceptualize a principled, top-down approach grounded in energy-based interpretation. Specifically, we formalize token dynamics as a joint maximum likelihood estimation on the hypersphere, featuring two properties: semantic alignment in the high-dimensional space and distributional uniformity in the low-dimensional space. By quantifying them with extended Hopfield energy functions, we instantiate this idea as a constrained energy minimization problem, which enables designs of symmetric attention and feedforward modules with RMS normalization. We further present \textit{Hyper-Spherical Energy Transformer} (Hyper-SET), a recurrent-depth alternative to vanilla Transformers naturally emerging from iterative energy optimization on the hypersphere. With shared parameters across layers, Hyper-SET can scale to arbitrary depth with fewer parameters. Theoretically grounded and compact, it achieves competitive or superior performance across diverse tasks, including Sudoku solving, image classification, and masked image modeling. We also design novel variations under the proposed general principle, such as linear attention and gated feedforward layer. Moreover, we showcase its scalability with depth-wise LoRA. Our results highlight Hyper-SET as a step toward interpretable and principled Transformer design.
Authors: Samuel Miserendino, Michele Wang, Tejal Patwardhan, Johannes Heidecke
Abstract: We introduce SWE-Lancer, a benchmark of over 1,400 freelance software engineering tasks from Upwork, valued at \$1 million USD total in real-world payouts. SWE-Lancer encompasses both independent engineering tasks--ranging from \$50 bug fixes to \$32,000 feature implementations--and managerial tasks, where models choose between technical implementation proposals. Independent tasks are graded with end-to-end tests triple-verified by experienced software engineers, while managerial decisions are assessed against the choices of the original hired engineering managers. We evaluate model performance and find that frontier models are still unable to solve the majority of tasks. To facilitate future research, we open-source a unified Docker image and a public evaluation split, SWE-Lancer Diamond (https://github.com/openai/SWELancer-Benchmark). By mapping model performance to monetary value, we hope SWE-Lancer enables greater research into the economic impact of AI model development.
Authors: Lakshmi Nair, Ian Trase, Mark Kim
Abstract: We present a novel reasoning approach called Flow-of-Options (FoO), designed to address intrinsic biases in Large Language Models (LLMs). Flow-of-Options enables LLMs to systematically explore a diverse range of possibilities in their reasoning, as demonstrated by an FoO-based agentic framework developed for autonomously solving Machine Learning (ML) tasks. FoO enforces diversity in LLM solutions through compressed and interpretable task representations, resulting in improvements of 38.2% - 69.2% on standard data science tasks, and 37.4% - 47.9% on therapeutic chemistry tasks, as compared to state-of-the-art baselines. With an overall operation cost under $1 per task, our framework is well-suited for cost-sensitive applications. Going beyond tabular classification and regression, we show the broader applicability of our FoO-based agentic system to tasks such as reinforcement learning and image generation. Our code is open-sourced at: https://github.com/flagshippioneering/Flow-of-Options.
URLs: https://github.com/flagshippioneering/Flow-of-Options.
Authors: Aarash Feizi, Sai Rajeswar, Adriana Romero-Soriano, Reihaneh Rabbany, Valentina Zantedeschi, Spandana Gella, Jo\~ao Monteiro
Abstract: Understanding how effectively large vision language models (VLMs) compare visual inputs is crucial across numerous applications, yet this fundamental capability remains insufficiently assessed. While VLMs are increasingly deployed for tasks requiring comparative judgment, including automated evaluation, re-ranking, and retrieval-augmented generation, no systematic framework exists to measure their performance in these scenarios. We present PairBench, a simple framework that evaluates VLMs as customizable similarity tools using widely available image datasets. Our approach introduces four key metrics for reliable comparison: alignment with human annotations, consistency across pair ordering, distribution smoothness, and controllability through prompting. Our analysis reveals that no model consistently excels across all metrics, with each demonstrating distinct strengths and weaknesses. Most concerning is the widespread inability of VLMs to maintain symmetric similarity scores. Interestingly, we demonstrate that performance on our benchmark strongly correlates with popular benchmarks used for more complex tasks, while providing additional metrics into controllability, smoothness and ordering. This makes PairBench a unique and comprehensive framework to evaluate the performance of VLMs for automatic evaluation depending on the task.
Authors: Luca M. Schulze Buschoff, Konstantinos Voudouris, Elif Akata, Matthias Bethge, Joshua B. Tenenbaum, Eric Schulz
Abstract: Pre-trained vision language models still fall short of human visual cognition. In an effort to improve visual cognition and align models with human behavior, we introduce visual stimuli and human judgments on visual cognition tasks, allowing us to systematically evaluate performance across cognitive domains under a consistent environment. We fine-tune models on ground truth data for intuitive physics and causal reasoning and find that this improves model performance in the respective fine-tuning domain. Furthermore, it can improve model alignment with human behavior. However, we find that task-specific fine-tuning does not contribute to robust human-like generalization to data with other visual characteristics or to tasks in other cognitive domains.
Authors: Rui Liu, Peng Gao, Yu Shen, Ming Lin, Pratap Tokekar
Abstract: Learning with guidance has proven effective across a wide range of machine learning domains. Guidance may, for example, come from annotated datasets in supervised learning, pseudo-labels in semi-supervised learning, and expert demonstration policies in reinforcement learning. However, guidance signals can be noisy due to domain shifts and limited data availability and may not generalize well. Blindly trusting such signals when they are noisy, incomplete, or misaligned with the target domain can lead to degraded performance. To address these challenges, we propose $\underline{Ada}$ptive $\underline{Con}$formal $\underline{G}$uidance (AdaConG), a universal, plug-and-play framework that dynamically modulates the influence of guidance signals based on their associated uncertainty, quantified via split conformal prediction (CP). By adaptively adjusting to guidance uncertainty, AdaConG enables models to reduce reliance on potentially misleading signals and enhance learning performance. We validate AdaConG across diverse domains and tasks, including knowledge distillation, semi-supervised image classification, gridworld navigation, and autonomous driving. Experimental results demonstrate that AdaConG improves performance and robustness under imperfect guidance, e.g., in gridworld navigation, it accelerates convergence and achieves over $6\times$ higher rewards than the best-performing baseline. These results highlight AdaConG as a simple yet effective solution for multi-domain learning under uncertainty.
Authors: Alireza Kazemipour, Simone Parisi, Matthew E. Taylor, Michael Bowling
Abstract: A tenet of reinforcement learning is that the agent always observes rewards. However, this is not true in many realistic settings, e.g., a human observer may not always be available to provide rewards, sensors may be limited or malfunctioning, or rewards may be inaccessible during deployment. Monitored Markov decision processes (Mon-MDPs) have recently been proposed to model such settings. However, existing Mon-MDP algorithms have several limitations: they do not fully exploit the problem structure, cannot leverage a known monitor, lack worst-case guarantees for 'unsolvable' Mon-MDPs without specific initialization, and offer only asymptotic convergence proofs. This paper makes three contributions. First, we introduce a model-based algorithm for Mon-MDPs that addresses these shortcomings. The algorithm employs two instances of model-based interval estimation: one to ensure that observable rewards are reliably captured, and another to learn the minimax-optimal policy. Second, we empirically demonstrate the advantages. We show faster convergence than prior algorithms in over four dozen benchmarks, and even more dramatic improvement when the monitoring process is known. Third, we present the first finite-sample bound on performance. We show convergence to a minimax-optimal policy even when some rewards are never observable.
Authors: Sasha Voitovych, Mahdi Haghifam, Idan Attias, Gintare Karolina Dziugaite, Roi Livni, Daniel M. Roy
Abstract: In this paper, we investigate the necessity of traceability for accurate learning in stochastic convex optimization (SCO) under $\ell_p$ geometries. Informally, we say a learning algorithm is $m$-traceable if, by analyzing its output, it is possible to identify at least $m$ of its training samples. Our main results uncover a fundamental tradeoff between traceability and excess risk in SCO. For every $p\in [1,\infty)$, we establish the existence of an excess risk threshold below which every sample-efficient learner is traceable with the number of samples which is a constant fraction of its training sample. For $p\in [1,2]$, this threshold coincides with the best excess risk of differentially private (DP) algorithms, i.e., above this threshold, there exist algorithms that are not traceable, which corresponds to a sharp phase transition. For $p \in (2,\infty)$, this threshold instead gives novel lower bounds for DP learning, partially closing an open problem in this setup. En route to establishing these results, we prove a sparse variant of the fingerprinting lemma, which is of independent interest to the community.
Authors: Yujie Feng, Xujia Wang, Zexin Lu, Shenghong Fu, Guangyuan Shi, Yongxin Xu, Yasha Wang, Philip S. Yu, Xu Chu, Xiao-Ming Wu
Abstract: Continual learning (CL) is crucial for deploying large language models (LLMs) in dynamic real-world environments without costly retraining. While recent model ensemble and model merging methods guided by parameter importance have gained popularity, they often struggle to balance knowledge transfer and forgetting, mainly due to the reliance on static importance estimates during sequential training. In this paper, we present Recurrent-KIF, a novel CL framework for Recurrent Knowledge Identification and Fusion, which enables dynamic estimation of parameter importance distributions to enhance knowledge transfer. Inspired by human continual learning, Recurrent-KIF employs an inner loop that rapidly adapts to new tasks while identifying important parameters, coupled with an outer loop that globally manages the fusion of new and historical knowledge through redundant knowledge pruning and key knowledge merging. These inner-outer loops iteratively perform multiple rounds of fusion, allowing Recurrent-KIF to leverage intermediate training information and adaptively adjust fusion strategies based on evolving importance distributions. Extensive experiments on two CL benchmarks with various model sizes (from 770M to 13B) demonstrate that Recurrent-KIF effectively mitigates catastrophic forgetting and enhances knowledge transfer.
Authors: Ruifeng Tan, Weixiang Hong, Jiayue Tang, Xibin Lu, Ruijun Ma, Xiang Zheng, Jia Li, Jiaqiang Huang, Tong-Yi Zhang
Abstract: Battery Life Prediction (BLP), which relies on time series data produced by battery degradation tests, is crucial for battery utilization, optimization, and production. Despite impressive advancements, this research area faces three key challenges. Firstly, the limited size of existing datasets impedes insights into modern battery life data. Secondly, most datasets are restricted to small-capacity lithium-ion batteries tested under a narrow range of diversity in labs, raising concerns about the generalizability of findings. Thirdly, inconsistent and limited benchmarks across studies obscure the effectiveness of baselines and leave it unclear if models popular in other time series fields are effective for BLP. To address these challenges, we propose BatteryLife, a comprehensive dataset and benchmark for BLP. BatteryLife integrates 16 datasets, offering a 2.5 times sample size compared to the previous largest dataset, and provides the most diverse battery life resource with batteries from 8 formats, 59 chemical systems, 9 operating temperatures, and 421 charge/discharge protocols, including both laboratory and industrial tests. Notably, BatteryLife is the first to release battery life datasets of zinc-ion batteries, sodium-ion batteries, and industry-tested large-capacity lithium-ion batteries. With the comprehensive dataset, we revisit the effectiveness of baselines popular in this and other time series fields. Furthermore, we propose CyclePatch, a plug-in technique that can be employed in various neural networks. Extensive benchmarking of 18 methods reveals that models popular in other time series fields can be unsuitable for BLP, and CyclePatch consistently improves model performance establishing state-of-the-art benchmarks. Moreover, BatteryLife evaluates model performance across aging conditions and domains. BatteryLife is available at https://github.com/Ruifeng-Tan/BatteryLife.
Authors: Ziyuan Zhong, Junyang Zhou
Abstract: In this study, we propose an innovative dynamic classification algorithm aimed at achieving zero missed detections and minimal false positives,acritical in safety-critical domains (e.g., medical diagnostics) where undetected cases risk severe outcomes. The algorithm partitions data in a self-supervised learning-generated way, which allows the model to learn from the training set to understand the data distribution and thereby divides training set and test set into N different subareas. The training and test subsets in the same subarea will have nearly the same boundary. For each subarea, there will be the same type of model, such as linear or random forest model, to predict the results of that subareas. In addition, the algorithm uses subareas boundary to refine predictions results and filter out substandard results without requiring additional models. This approach allows each model to operate within a smaller data range and remove the inaccurate prediction results, thereby improving overall accuracy. Experimental results show that, with minimal data partitioning errors, the algorithm achieves exceptional performance with zero missed detections and minimal false positives, outperforming existing ensembles like XGBoost or LGBM model. Even with larger classification errors, it remains comparable to that of state-of-the-art models. Key innovations include self-supervised classification learning, small-range subset predictions, and optimizing the prediction results and eliminate the unqualified ones without the need for additional model support. Although the algorithm still has room for improvement in automatic parameter tuning and efficiency, it demonstrates outstanding performance across multiple datasets. Future work will focus on optimizing the classification components to enhance robustness and adaptability.
Authors: Shiqi Wang, Zhibo Zhang, Libing Fang, Cam-Tu Nguyen, Wenzhong Li
Abstract: Corporate fraud detection aims to automatically recognize companies that conduct wrongful activities such as fraudulent financial statements or illegal insider trading. Previous learning-based methods fail to effectively integrate rich interactions in the company network. To close this gap, we collect 18-year financial records in China to form three graph datasets with fraud labels. We analyze the characteristics of the financial graphs, highlighting two pronounced issues: (1) information overload: the dominance of (noisy) non-company nodes over company nodes hinders the message-passing process in Graph Convolution Networks (GCN); and (2) hidden fraud: there exists a large percentage of possible undetected violations in the collected data. The hidden fraud problem will introduce noisy labels in the training dataset and compromise fraud detection results. To handle such challenges, we propose a novel graph-based method, namely, Knowledge-enhanced GCN with Robust Two-stage Learning (${\rm KeGCN}_{R}$), which leverages Knowledge Graph Embeddings to mitigate the information overload and effectively learns rich representations. The proposed model adopts a two-stage learning method to enhance robustness against hidden frauds. Extensive experimental results not only confirm the importance of interactions but also show the superiority of ${\rm KeGCN}_{R}$ over a number of strong baselines in terms of fraud detection effectiveness and robustness.
Authors: Stefano Viel, Luca Viano, Volkan Cevher
Abstract: This paper introduces the SOAR framework for imitation learning. SOAR is an algorithmic template that learns a policy from expert demonstrations with a primal dual style algorithm that alternates cost and policy updates. Within the policy updates, the SOAR framework uses an actor critic method with multiple critics to estimate the critic uncertainty and build an optimistic critic fundamental to drive exploration. When instantiated in the tabular setting, we get a provable algorithm with guarantees that matches the best known results in $\epsilon$. Practically, the SOAR template is shown to boost consistently the performance of imitation learning algorithms based on Soft Actor Critic such as f-IRL, ML-IRL and CSIL in several MuJoCo environments. Overall, thanks to SOAR, the required number of episodes to achieve the same performance is reduced by half.
Authors: Hongzhi Luan, Changxin Tian, Zhaoxin Huan, Xiaolu Zhang, Kunlong Chen, Zhiqiang Zhang, Jun Zhou
Abstract: This paper poses two critical issues in evaluating base models (without post-training): (1) Unstable evaluation during training: in the early stages of pre-training, the models lack the capability to answer questions as required, leading to unstable evaluation results. This instability makes it difficult to provide solid conclusions to guide the training, especially for key experiments such as data ablation and scaling law. (2) Inconsistency between base and instruct models: base models generally exhibit poorer evaluation performance compared to corresponding instruct models. This gap poses a challenge for assessing whether a base model with better evaluation can truly lead to a better instruct model. To address these issues, we propose Base model Oriented Systematic Evaluation (BOSE), a method specifically designed to optimize the evaluation of base models. Specifically, BOSE introduces two key innovations: In-Context Light-instruction Prompt (ICLiP) for open-ended tasks and Blank-ppl for multi-choice tasks with candidate options, which transforms the standard perplexity (ppl) metric into a fill-in-the-blank format to mitigate early-stage evaluation fluctuations. Furthermore, we are the first to propose Kendall's rank correlation to quantitatively measure the evaluation stability and consistency. Experimental results demonstrate that BOSE significantly enhances both the stability of evaluations during pre-training and the consistency between base and instruct models, thereby providing more reliable guidance for the LLMs' training.
Authors: Keqiang Yan, Montgomery Bohde, Andrii Kryvenko, Ziyu Xiang, Kaiji Zhao, Siya Zhu, Saagar Kolachina, Do\u{g}uhan Sar{\i}t\"urk, Jianwen Xie, Raymundo Arroyave, Xiaoning Qian, Xiaofeng Qian, Shuiwang Ji
Abstract: Machine learning interatomic potentials (MLIPs) can predict energy, force, and stress of materials and enable a wide range of downstream discovery tasks. A key design choice in MLIPs involves the trade-off between invariant and equivariant architectures. Invariant models offer computational efficiency but may not perform as well, especially when predicting high-order outputs. In contrast, equivariant models can capture high-order symmetries, but are computationally expensive. In this work, we propose HIENet, a hybrid invariant-equivariant materials interatomic potential model that integrates both invariant and equivariant message passing layers, while provably satisfying key physical constraints. HIENet achieves state-of-the-art performance with considerable computational speedups over prior models. Experimental results on both common benchmarks and downstream materials discovery tasks demonstrate the efficiency and effectiveness of HIENet.
Authors: Bowen Wang, Matteo Zecchin, Osvaldo Simeone
Abstract: Online conformal prediction enables the runtime calibration of a pre-trained artificial intelligence model using feedback on its performance. Calibration is achieved through set predictions that are updated via online rules so as to ensure long-term coverage guarantees. While recent research has demonstrated the benefits of incorporating prior knowledge into the calibration process, this has come at the cost of replacing coverage guarantees with less tangible regret guarantees based on the quantile loss. This work introduces intermittent mirror online conformal prediction (IM-OCP), a novel runtime calibration framework that integrates prior knowledge, while maintaining long-term coverage and achieving sub-linear regret. IM-OCP features closed-form updates with minimal memory complexity, and is designed to operate under potentially intermittent feedback.
Authors: Albert Sawczyn, Jakub Binkowski, Denis Janiak, Bogdan Gabrys, Tomasz Kajdanowicz
Abstract: Large Language Models (LLMs) frequently generate hallucinated content, posing significant challenges for applications where factuality is crucial. While existing hallucination detection methods typically operate at the sentence level or passage level, we propose FactSelfCheck, a novel black-box sampling-based method that enables fine-grained fact-level detection. Our approach represents text as knowledge graphs consisting of facts in the form of triples. Through analyzing factual consistency across multiple LLM responses, we compute fine-grained hallucination scores without requiring external resources or training data. Our evaluation demonstrates that FactSelfCheck performs competitively with leading sentence-level sampling-based methods while providing more detailed insights. Most notably, our fact-level approach significantly improves hallucination correction, achieving a 35.5% increase in factual content compared to the baseline, while sentence-level SelfCheckGPT yields only a 10.6% improvement. The granular nature of our detection enables more precise identification and correction of hallucinated content. Additionally, we contribute a new dataset for evaluating sampling-based methods - FavaMultiSamples.
Authors: Alex Reneau, Jerry Yao-Chieh Hu, Zhongfang Zhuang, Ting-Chun Liu, Xiang He, Judah Goldfeder, Nadav Timor, Allen G Roush, Ravid Shwartz-Ziv
Abstract: Many high-impact machine learning tasks involve multi-dimensional data such as images, volumetric medical scans, and multivariate time-series. Yet, most neural architectures flatten these inputs, discarding critical cross-dimension information. We introduce $\textbf{NdLinear}$, a novel linear transformation that circumvents this destructive flattening by operating directly on tensors. NdLinear applies transformations separately along each data dimension, thereby preserving the native data structure. Extensive experiments demonstrate NdLinear's capacity to significantly enhance representational power, achieve dramatic parameter reductions (often by orders of magnitude), and maintain a favorable computational profile. For instance, when applied to Large Language Model finetuning, our $\textbf{NdLinear-LoRA}$ delivers comparable or improved accuracy on reasoning tasks using up to $9\times$ fewer trainable parameters than standard LoRA. These broad advantages of NdLinear are consistently validated across diverse neural architectures (CNNs, RNNs, Transformers, MLPs) and data domains, including vision, language, time-series, and tabular tasks. As a versatile, drop-in replacement for standard linear layers, NdLinear processes data in its original N-dimensional form, offering a foundational component for developing more efficient and powerful next-generation neural architectures.
Authors: Zhuoshi Pan, Yu Li, Honglin Lin, Qizhi Pei, Zinan Tang, Wei Wu, Chenlin Ming, H. Vicky Zhao, Conghui He, Lijun Wu
Abstract: Large language models (LLMs) have demonstrated remarkable reasoning capability in solving mathematical problems. However, existing approaches primarily focus on improving the quality of correct training data, e.g., distilling high-quality correct solutions from advanced models, neglecting the value contained in error data, potentially hindering the model's reflective ability. Though some studies attempt to leverage error data, they often involve complex mechanisms, such as Monte Carlo Tree Search (MCTS) to explore error nodes. In this work, we propose to enhance LLMs' reasoning ability by Learning from Errors for Mathematical Advancement (LEMMA). LEMMA constructs data consisting of an incorrect solution with an erroneous step and a reflection connection to a correct solution for fine-tuning. Specifically, we systematically analyze the model-generated error types and introduce an error-type grounded mistake augmentation method to collect diverse and representative errors. Correct solutions are either from fixing the errors or generating a fresh start. Through a model-aware smooth reflection connection, the erroneous solution is transferred to the correct one. By fine-tuning on the constructed dataset, the model is able to self-correct errors autonomously within the generation process without relying on external critique models. Experimental results demonstrate that LEMMA achieves significant performance improvements over other strong baselines.
Authors: Julian Minder, Cl\'ement Dumas, Caden Juang, Bilal Chugtai, Neel Nanda
Abstract: Model diffing is the study of how fine-tuning changes a model's representations and internal algorithms. Many behaviors of interest are introduced during fine-tuning, and model diffing offers a promising lens to interpret such behaviors. Crosscoders are a recent model diffing method that learns a shared dictionary of interpretable concepts represented as latent directions in both the base and fine-tuned models, allowing us to track how concepts shift or emerge during fine-tuning. Notably, prior work has observed concepts with no direction in the base model, and it was hypothesized that these model-specific latents were concepts introduced during fine-tuning. However, we identify two issues which stem from the crosscoders L1 training loss that can misattribute concepts as unique to the fine-tuned model, when they really exist in both models. We develop Latent Scaling to flag these issues by more accurately measuring each latent's presence across models. In experiments comparing Gemma 2 2B base and chat models, we observe that the standard crosscoder suffers heavily from these issues. Building on these insights, we train a crosscoder with BatchTopK loss and show that it substantially mitigates these issues, finding more genuinely chat-specific and highly interpretable concepts. We recommend practitioners adopt similar techniques. Using the BatchTopK crosscoder, we successfully identify a set of chat-specific latents that are both interpretable and causally effective, representing concepts such as $\textit{false information}$ and $\textit{personal question}$, along with multiple refusal-related latents that show nuanced preferences for different refusal triggers. Overall, our work advances best practices for the crosscoder-based methodology for model diffing and demonstrates that it can provide concrete insights into how chat-tuning modifies model behavior.
Authors: Benjamin Patrick Evans, Leo Ardon, Sumitra Ganesh
Abstract: Modelling bounded rational decision-making through information constrained processing provides a principled approach for representing departures from rationality within a reinforcement learning framework, while still treating decision-making as an optimization process. However, existing approaches are generally based on Entropy, Kullback-Leibler divergence, or Mutual Information. In this work, we highlight issues with these approaches when dealing with ordinal action spaces. Specifically, entropy assumes uniform prior beliefs, missing the impact of a priori biases on decision-makings. KL-Divergence addresses this, however, has no notion of "nearness" of actions, and additionally, has several well known potentially undesirable properties such as the lack of symmetry, and furthermore, requires the distributions to have the same support (e.g. positive probability for all actions). Mutual information is often difficult to estimate. Here, we propose an alternative approach for modeling bounded rational RL agents utilising Wasserstein distances. This approach overcomes the aforementioned issues. Crucially, this approach accounts for the nearness of ordinal actions, modeling "stickiness" in agent decisions and unlikeliness of rapidly switching to far away actions, while also supporting low probability actions, zero-support prior distributions, and is simple to calculate directly.
Authors: Adri\'an Bazaga, Rexhina Blloshmi, Bill Byrne, Adri\`a de Gispert
Abstract: Large Language Models (LLMs) have emerged as powerful tools for generating coherent text, understanding context, and performing reasoning tasks. However, they struggle with temporal reasoning, which requires processing time-related information such as event sequencing, durations, and inter-temporal relationships. These capabilities are critical for applications including question answering, scheduling, and historical analysis. In this paper, we introduce TISER, a novel framework that enhances the temporal reasoning abilities of LLMs through a multi-stage process that combines timeline construction with iterative self-reflection. Our approach leverages test-time scaling to extend the length of reasoning traces, enabling models to capture complex temporal dependencies more effectively. This strategy not only boosts reasoning accuracy but also improves the traceability of the inference process. Experimental results demonstrate state-of-the-art performance across multiple benchmarks, including out-of-distribution test sets, and reveal that TISER enables smaller open-source models to surpass larger closed-weight models on challenging temporal reasoning tasks.
Authors: Pascal Schlachter, Jonathan Fuss, Bin Yang
Abstract: A domain (distribution) shift between training and test data often hinders the real-world performance of deep neural networks, necessitating unsupervised domain adaptation (UDA) to bridge this gap. Online source-free UDA has emerged as a solution for practical scenarios where access to source data is restricted and target data is received as a continuous stream. However, the open-world nature of many real-world applications additionally introduces category shifts meaning that the source and target label spaces may differ. Online source-free universal domain adaptation (SF-UniDA) addresses this challenge. Existing methods mainly rely on self-training with pseudo-labels, yet the relationship between pseudo-labeling and adaptation outcomes has not been studied yet. To bridge this gap, we conduct a systematic analysis through controlled experiments with simulated pseudo-labeling, offering valuable insights into pseudo-labeling for online SF-UniDA. Our findings reveal a substantial gap between the current state-of-the-art and the upper bound of adaptation achieved with perfect pseudo-labeling. Moreover, we show that a contrastive loss enables effective adaptation even with moderate pseudo-label accuracy, while a cross-entropy (CE) loss, though less robust to pseudo-label errors, achieves superior results when pseudo-labeling approaches perfection. Lastly, our findings indicate that pseudo-label accuracy is in general more crucial than quantity, suggesting that prioritizing fewer but high-confidence pseudo-labels is beneficial. Overall, our study highlights the critical role of pseudo-labeling in (online) SF-UniDA and provides actionable insights to drive future advancements in the field. Our code is available at https://github.com/pascalschlachter/PLAnalysis.
Authors: Yu Wang, Fu-Chieh Chang, Pei-Yuan Wu
Abstract: We study the robustness of Transformer language models under semantic out-of-distribution (OOD) shifts, where training and test data lie in disjoint latent spaces. Using Wasserstein-1 distance and Gevrey-class smoothness, we derive sub-exponential upper bounds on prediction error. Our theoretical framework explains how smoothness governs generalization under distributional drift. We validate these findings through controlled experiments on arithmetic and Chain-of-Thought tasks with latent permutations and scalings. Results show empirical degradation aligns with our bounds, highlighting the geometric and functional principles underlying OOD generalization in Transformers.
Authors: Zayd M. K. Zuhri, Erland Hilman Fuadi, Alham Fikri Aji
Abstract: We introduce softpick, a rectified, not sum-to-one, drop-in replacement for softmax in transformer attention mechanisms that eliminates attention sink and massive activations. Our experiments with 340M and 1.8B parameter models demonstrate that softpick achieves 0\% sink rate consistently. The softpick transformers produce hidden states with significantly lower kurtosis and creates sparse attention maps. Quantized models using softpick outperform softmax on standard benchmarks, with a particularly pronounced advantage at lower bit precisions. Our analysis and discussion shows how softpick has the potential to open new possibilities for quantization, low-precision training, sparsity optimization, pruning, and interpretability. Our code is available at https://github.com/zaydzuhri/softpick-attention
Authors: Andrzej Mizera, Jakub Zarzycki
Abstract: Cellular reprogramming, the artificial transformation of one cell type into another, has been attracting increasing research attention due to its therapeutic potential for complex diseases. However, discovering reprogramming strategies through classical wet-lab experiments is hindered by lengthy time commitments and high costs. In this study, we explore the use of deep reinforcement learning (DRL) to control Boolean network models of complex biological systems, such as gene regulatory networks and signalling pathway networks. We formulate a novel control problem for Boolean network models under the asynchronous update mode in the context of cellular reprogramming. To facilitate scalability, we consider our previously introduced concept of a pseudo-attractor and we improve our procedure for effective identification of pseudo-attractor states. Finally, we devise a computational framework to solve the control problem. To leverage the structure of biological systems, we incorporate graph neural networks with graph convolutions into the artificial neural network approximator for the action-value function learned by the DRL agent. Experiments on a number of large real-world biological networks from literature demonstrate the scalability and effectiveness of our approach.
Authors: Robert Busa-Fekete, Travis Dick, Claudio Gentile, Haim Kaplan, Tomer Koren, Uri Stemmer
Abstract: We investigate Learning from Label Proportions (LLP), a partial information setting where examples in a training set are grouped into bags, and only aggregate label values in each bag are available. Despite the partial observability, the goal is still to achieve small regret at the level of individual examples. We give results on the sample complexity of LLP under square loss, showing that our sample complexity is essentially optimal. From an algorithmic viewpoint, we rely on carefully designed variants of Empirical Risk Minimization, and Stochastic Gradient Descent algorithms, combined with ad hoc variance reduction techniques. On one hand, our theoretical results improve in important ways on the existing literature on LLP, specifically in the way the sample complexity depends on the bag size. On the other hand, we validate our algorithmic solutions on several datasets, demonstrating improved empirical performance (better accuracy for less samples) against recent baselines.
Authors: Peimian Du, Jiabin Liu, Xiaowei Jin, Wangmeng Zuo, Hui Li
Abstract: This research confronts the challenge of substantial physical equation discrepancies encountered in the generation of spatiotemporal physical fields through data-driven trained models. A spatiotemporal physical field generation model, named HMT-PF, is developed based on the hybrid Mamba-Transformer architecture, incorporating unstructured grid information as input. A fine-tuning block, enhanced with physical information, is introduced to effectively reduce the physical equation discrepancies. The physical equation residuals are computed through a point query mechanism for efficient gradient evaluation, then encoded into latent space for refinement. The fine-tuning process employs a self-supervised learning approach to achieve physical consistency while maintaining essential field characteristics. Results show that the hybrid Mamba-Transformer model achieves good performance in generating spatiotemporal fields, while the physics-informed fine-tuning mechanism further reduces significant physical errors effectively. A MSE-R evaluation method is developed to assess the accuracy and realism of physical field generation.
Authors: R\'obert Csord\'as, Christopher D. Manning, Christopher Potts
Abstract: Modern LLMs are increasingly deep, and depth correlates with performance, albeit with diminishing returns. However, do these models use their depth efficiently? Do they compose more features to create higher-order computations that are impossible in shallow models, or do they merely spread the same kinds of computation out over more layers? To address these questions, we analyze the residual stream of the Llama 3.1 and Qwen 3 family of models. We find: First, comparing the output of the sublayers to the residual stream reveals that layers in the second half contribute much less than those in the first half, with a clear phase transition between the two halves. Second, skipping layers in the second half has a much smaller effect on future computations and output predictions. Third, for multihop tasks, we are unable to find evidence that models are using increased depth to compose subresults in examples involving many hops. Fourth, we seek to directly address whether deeper models are using their additional layers to perform new kinds of computation. To do this, we train linear maps from the residual stream of a shallow model to a deeper one. We find that layers with the same relative depth map best to each other, suggesting that the larger model simply spreads the same computations out over its many layers. All this evidence suggests that deeper models are not using their depth to learn new kinds of computation, but only using the greater depth to perform more fine-grained adjustments to the residual. This may help explain why increasing scale leads to diminishing returns for stacked Transformer architectures.
Authors: Hong Huang, Dapeng Wu
Abstract: Large language models (LLMs) have made exciting achievements across various domains, yet their deployment on resource-constrained personal devices remains hindered by the prohibitive computational and memory demands of task-specific fine-tuning. While quantization offers a pathway to efficiency, existing methods struggle to balance performance and overhead, either incurring high computational/memory costs or failing to address activation outliers, a critical bottleneck in quantized fine-tuning. To address these challenges, we propose the Outlier Spatial Stability Hypothesis (OSSH): During fine-tuning, certain activation outlier channels retain stable spatial positions across training iterations. Building on OSSH, we propose Quaff, a Quantized parameter-efficient fine-tuning framework for LLMs, optimizing low-precision activation representations through targeted momentum scaling. Quaff dynamically suppresses outliers exclusively in invariant channels using lightweight operations, eliminating full-precision weight storage and global rescaling while reducing quantization errors. Extensive experiments across ten benchmarks validate OSSH and demonstrate Quaff's efficacy. Specifically, on the GPQA reasoning benchmark, Quaff achieves a 1.73x latency reduction and 30% memory savings over full-precision fine-tuning while improving accuracy by 0.6% on the Phi-3 model, reconciling the triple trade-off between efficiency, performance, and deployability. By enabling consumer-grade GPU fine-tuning (e.g., RTX 2080 Super) without sacrificing model utility, Quaff democratizes personalized LLM deployment. The code is available at https://github.com/Little0o0/Quaff.git.
Authors: Xin Zhou, Weiqing Wang, Francisco J. Bald\'an, Wray Buntine, Christoph Bergmeir
Abstract: While multimodal data sources are increasingly available from real-world forecasting, most existing research remains on unimodal time series. In this work, we present MoTime, a suite of multimodal time series forecasting datasets that pair temporal signals with external modalities such as text, metadata, and images. Covering diverse domains, MoTime supports structured evaluation of modality utility under two scenarios: 1) the common forecasting task, where varying-length history is available, and 2) cold-start forecasting, where no historical data is available. Experiments show that external modalities can improve forecasting performance in both scenarios, with particularly strong benefits for short series in some datasets, though the impact varies depending on data characteristics. By making datasets and findings publicly available, we aim to support more comprehensive and realistic benchmarks in future multimodal time series forecasting research.
Authors: Yang Chen, Zhuolin Yang, Zihan Liu, Chankyu Lee, Peng Xu, Mohammad Shoeybi, Bryan Catanzaro, Wei Ping
Abstract: Despite recent progress in large-scale reinforcement learning (RL) for reasoning, the training recipe for building high-performing reasoning models remains elusive. Key implementation details of frontier models, such as DeepSeek-R1, including data curation strategies and RL training recipe, are often omitted. Moreover, recent research indicates distillation remains more effective than RL for smaller models. In this work, we demonstrate that large-scale RL can significantly enhance the reasoning capabilities of strong, small- and mid-sized models, achieving results that surpass those of state-of-the-art distillation-based models. We systematically study the RL training process through extensive ablations and propose a simple yet effective approach: first training on math-only prompts, then on code-only prompts. Notably, we find that math-only RL not only significantly enhances the performance of strong distilled models on math benchmarks (e.g., +14.6% / +17.2% on AIME 2025 for the 7B / 14B models), but also code reasoning tasks (e.g., +6.8% / +5.8% on LiveCodeBench for the 7B / 14B models). In addition, extended code-only RL iterations further improve performance on code benchmarks with minimal or no degradation in math results. We develop a robust data curation pipeline to collect challenging prompts with high-quality, verifiable answers and test cases to enable verification-based RL across both domains. Finally, we identify key experimental insights, including curriculum learning with progressively increasing response lengths and the stabilizing effect of on-policy parameter updates. We find that RL not only elicits the foundational reasoning capabilities acquired during pretraining and supervised fine-tuning (e.g., distillation), but also pushes the limits of the model's reasoning ability, enabling it to solve problems that were previously unsolvable.
Authors: Kevin Lu, Nicky Kriplani, Rohit Gandikota, Minh Pham, David Bau, Chinmay Hegde, Niv Cohen
Abstract: Concept erasure, the ability to selectively prevent a model from generating specific concepts, has attracted growing interest, with various approaches emerging to address the challenge. However, it remains unclear how thoroughly these methods erase the target concept. We begin by proposing two conceptual models for the erasure mechanism in diffusion models: (i) reducing the likelihood of generating the target concept, and (ii) interfering with the model's internal guidance mechanisms. To thoroughly assess whether a concept has been truly erased from the model, we introduce a suite of independent evaluations. Our evaluation framework includes adversarial attacks, novel probing techniques, and analysis of the model's alternative generations in place of the erased concept. Our results shed light on the tension between minimizing side effects and maintaining robustness to adversarial prompts. Broadly, our work underlines the importance of comprehensive evaluation for erasure in diffusion models.
Authors: Zijie Qiu, Jiaqi Wei, Xiang Zhang, Sheng Xu, Kai Zou, Zhi Jin, Zhiqiang Gao, Nanqing Dong, Siqi Sun
Abstract: De novo peptide sequencing is a critical task in proteomics. However, the performance of current deep learning-based methods is limited by the inherent complexity of mass spectrometry data and the heterogeneous distribution of noise signals, leading to data-specific biases. We present RankNovo, the first deep reranking framework that enhances de novo peptide sequencing by leveraging the complementary strengths of multiple sequencing models. RankNovo employs a list-wise reranking approach, modeling candidate peptides as multiple sequence alignments and utilizing axial attention to extract informative features across candidates. Additionally, we introduce two new metrics, PMD (Peptide Mass Deviation) and RMD (residual Mass Deviation), which offer delicate supervision by quantifying mass differences between peptides at both the sequence and residue levels. Extensive experiments demonstrate that RankNovo not only surpasses its base models used to generate training candidates for reranking pre-training, but also sets a new state-of-the-art benchmark. Moreover, RankNovo exhibits strong zero-shot generalization to unseen models whose generations were not exposed during training, highlighting its robustness and potential as a universal reranking framework for peptide sequencing. Our work presents a novel reranking strategy that fundamentally challenges existing single-model paradigms and advances the frontier of accurate de novo sequencing. Our source code is provided on GitHub.
Authors: Jonathan Tammer Eweis-Labolle, Tyler Johnson, Xiangyu Sun, Ramin Bostanabad
Abstract: In an increasing number of applications designers have access to multiple computer models which typically have different levels of fidelity and cost. Traditionally, designers calibrate these models one at a time against some high-fidelity data (e.g., experiments). In this paper, we question this tradition and assess the potential of calibrating multiple computer models at the same time. To this end, we develop a probabilistic framework that is founded on customized neural networks (NNs) that are designed to calibrate an arbitrary number of computer models. In our approach, we (1) consider the fact that most computer models are multi-response and that the number and nature of calibration parameters may change across the models, and (2) learn a unique probability distribution for each calibration parameter of each computer model, (3) develop a loss function that enables our NN to emulate all data sources while calibrating the computer models, and (4) aim to learn a visualizable latent space where model-form errors can be identified. We test the performance of our approach on analytic and engineering problems to understand the potential advantages and pitfalls in simultaneous calibration of multiple computer models. Our method can improve predictive accuracy, however, it is prone to non-identifiability issues in higher-dimensional input spaces that are normally constrained by underlying physics.
Authors: Yiding Wang, Fauxu Meng, Xuefeng Zhang, Fan Jiang, Pingzhi Tang, Muhan Zhang
Abstract: Existing parameter-efficient fine-tuning (PEFT) methods for large language models (LLMs), such as LoRA and PiSSA, constrain model updates to low-rank subspaces, limiting their expressiveness and leading to suboptimal performance on complex tasks. To address this, we introduce High-rank Distributed PiSSA (HD-PiSSA), a distributed PEFT approach that initializes orthogonal adapters across different devices and aggregates their delta updates collectively on W for fine-tuning. Unlike Data Parallel LoRA or PiSSA, which maintain identical adapters across all devices, HD-PiSSA assigns different principal components of the pre-trained weights to each GPU, significantly expanding the range of update directions. This results in over 16x higher effective updated ranks than data-parallel LoRA or PiSSA when fine-tuning on 8 GPUs with the same per-device adapter rank. Empirically, we evaluate HD-PiSSA across various challenging downstream tasks, including mathematics, code generation, and multi-task learning. In the multi-task setting, HD-PiSSA achieves average gains of 10.0 absolute points (14.63%) over LoRA and 4.98 points (6.60%) over PiSSA across 12 benchmarks, demonstrating its benefits from the extra optimization flexibility.
Authors: Akiyoshi Tomihari, Ryo Karakida
Abstract: The theoretical understanding of self-attention (SA) has been steadily progressing. A prominent line of work studies a class of SA layers that admit an energy function decreased by state updates. While it provides valuable insights into inherent biases in signal propagation, it often relies on idealized assumptions or additional constraints not necessarily present in standard SA. Thus, to broaden our understanding, this work aims to relax these energy constraints and provide an energy-agnostic characterization of inference dynamics by dynamical systems analysis. In more detail, we first consider relaxing the symmetry and single-head constraints traditionally required in energy-based formulations. Next, to investigate more general SA architectures capable of oscillatory dynamics without necessarily admitting an energy function, we analyze the Jacobian matrix of the state. We reveal that normalization layers effectively normalize the Jacobian's complex eigenvalues, forcing the dynamics close to a critical state. This significantly enhances inference performance. Furthermore, we utilize the Jacobian perspective to develop regularization methods for training and a pseudo-energy for monitoring inference dynamics.
Authors: Abhijit Chunduru, Majid Morafah, Mahdi Morafah, Vishnu Pandi Chellapandi, Ang Li
Abstract: The inevitable presence of data heterogeneity has made federated learning very challenging. There are numerous methods to deal with this issue, such as local regularization, better model fusion techniques, and data sharing. Though effective, they lack a deep understanding of how data heterogeneity can affect the global decision boundary. In this paper, we bridge this gap by performing an experimental analysis of the learned decision boundary using a toy example. Our observations are surprising: (1) we find that the existing methods suffer from forgetting and clients forget the global decision boundary and only learn the perfect local one, and (2) this happens regardless of the initial weights, and clients forget the global decision boundary even starting from pre-trained optimal weights. In this paper, we present FedProj, a federated learning framework that robustly learns the global decision boundary and avoids its forgetting during local training. To achieve better ensemble knowledge fusion, we design a novel server-side ensemble knowledge transfer loss to further calibrate the learned global decision boundary. To alleviate the issue of learned global decision boundary forgetting, we further propose leveraging an episodic memory of average ensemble logits on a public unlabeled dataset to regulate the gradient updates at each step of local training. Experimental results demonstrate that FedProj outperforms state-of-the-art methods by a large margin.
Authors: Eduardo Y. Sakabe, Felipe S. Abrah\~ao, Alexandre Sim\~oes, Esther Colombini, Paula Costa, Ricardo Gudwin, Hector Zenil
Abstract: Understanding and controlling the informational complexity of neural networks is a central challenge in machine learning, with implications for generalization, optimization, and model capacity. While most approaches rely on entropy-based loss functions and statistical metrics, these measures often fail to capture deeper, causally relevant algorithmic regularities embedded in network structure. We propose a shift toward algorithmic information theory, using Binarized Neural Networks (BNNs) as a first proxy. Grounded in algorithmic probability (AP) and the universal distribution it defines, our approach characterizes learning dynamics through a formal, causally grounded lens. We apply the Block Decomposition Method (BDM) -- a scalable approximation of algorithmic complexity based on AP -- and demonstrate that it more closely tracks structural changes during training than entropy, consistently exhibiting stronger correlations with training loss across varying model sizes and randomized training runs. These results support the view of training as a process of algorithmic compression, where learning corresponds to the progressive internalization of structured regularities. In doing so, our work offers a principled estimate of learning progression and suggests a framework for complexity-aware learning and regularization, grounded in first principles from information theory, complexity, and computability.
Authors: Andrew J. Loza, Jun Yup Kim, Shangzheng Song, Yihang Liu, Joseph J. Y. Sung, R Andrew Taylor, Dennis L. Shung
Abstract: Real-world processes often generate data that are a mix of categorical and numeric values that are recorded at irregular and informative intervals. Discrete token-based approaches are limited in numeric representation capacity while methods like neural ordinary differential equations are not well suited for categorical data or informative sampling and require augmentation to handle certain classes of trajectories. Here, we present multivariateGPT, a single architecture for modeling sequences of mixed categorical (including tokenized text) and numeric data. This is accomplished with an autoregressive sequence decomposition, embedding scheme, and loss function that extend the next token prediction task to likelihood estimation of the joint distribution of next token class and value. We demonstrate how this approach can efficiently learn to generalize patterns in simple physical systems and model complex time series including electrocardiograms and multivariate electronic health record data. This work extends the utility of transformer based models to additional classes of data.
Authors: Yana Veitsman, Mayank Jobanputra, Yash Sarrof, Aleksandra Bakalova, Vera Demberg, Ellie Pavlick, Michael Hahn
Abstract: Transformers have theoretical limitations in modeling certain sequence-to-sequence tasks, yet it remains largely unclear if these limitations play a role in large-scale pretrained LLMs, or whether LLMs might effectively overcome these constraints in practice due to the scale of both the models themselves and their pretraining data. We explore how these architectural constraints manifest after pretraining, by studying a family of $\textit{retrieval}$ and $\textit{copying}$ tasks inspired by Liu et al. [2024a]. We use a recently proposed framework for studying length generalization [Huang et al., 2025] to provide guarantees for each of our settings. Empirically, we observe an $\textit{induction-versus-anti-induction}$ asymmetry, where pretrained models are better at retrieving tokens to the right (induction) rather than the left (anti-induction) of a query token. This asymmetry disappears upon targeted fine-tuning if length-generalization is guaranteed by theory. Mechanistic analysis reveals that this asymmetry is connected to the differences in the strength of induction versus anti-induction circuits within pretrained transformers. We validate our findings through practical experiments on real-world tasks demonstrating reliability risks. Our results highlight that pretraining selectively enhances certain transformer capabilities, but does not overcome fundamental length-generalization limits.
Authors: Youssef Mroueh, Nicolas Dupuis, Brian Belgodere, Apoorva Nitsure, Mattia Rigotti, Kristjan Greenewald, Jiri Navratil, Jerret Ross, Jesus Rios
Abstract: We revisit Group Relative Policy Optimization (GRPO) in both on-policy and off-policy optimization regimes. Our motivation comes from recent work on off-policy Proximal Policy Optimization (PPO), which improves training stability, sampling efficiency, and memory usage. In addition, a recent analysis of GRPO suggests that estimating the advantage function with off-policy samples could be beneficial. Building on these observations, we adapt GRPO to the off-policy setting. We show that both on-policy and off-policy GRPO objectives yield an improvement in the reward. This result motivates the use of clipped surrogate objectives in the off-policy version of GRPO. We then compare the empirical performance of reinforcement learning with verifiable rewards in post-training using both GRPO variants. Our results show that off-policy GRPO either significantly outperforms or performs on par with its on-policy counterpart.
Authors: Aihu Zhang, Jiaxing Xu, Mengcheng Lan, Shili Xiang, Yiping Ke
Abstract: Graph Neural Networks (GNNs) have achieved significant success in various learning tasks on graph-structured data. Nevertheless, most GNNs struggle to generalize to heterophilic neighborhoods. Additionally, many GNNs ignore the directional nature of real-world graphs, resulting in suboptimal performance on directed graphs with asymmetric structures. In this work, we propose Directed Homophily-aware Graph Neural Network (DHGNN), a novel framework that addresses these limitations by incorporating homophily-aware and direction-sensitive components. DHGNN employs a resettable gating mechanism to adaptively modulate message contributions based on homophily levels and informativeness, and a structure-aware noise-tolerant fusion module to effectively integrate node representations from the original and reverse directions. Extensive experiments on both homophilic and heterophilic directed graph datasets demonstrate that DHGNN outperforms state-of-the-art methods in node classification and link prediction. In particular, DHGNN improves over the best baseline by up to 15.07% in link prediction. Our analysis further shows that the gating mechanism captures directional homophily gaps and fluctuating homophily across layers, providing deeper insights into message-passing behavior on complex graph structures.
Authors: Mattie Fellows, Clarisse Wibault, Uljad Berdica, Johannes Forkel, Michael A. Osborne, Jakob N. Foerster
Abstract: Sample efficiency remains a major obstacle for real world adoption of reinforcement learning (RL): success has been limited to settings where simulators provide access to essentially unlimited environment interactions, which in reality are typically costly or dangerous to obtain. Offline RL in principle offers a solution by exploiting offline data to learn a near-optimal policy before deployment. In practice, however, current offline RL methods rely on extensive online interactions for hyperparameter tuning, and have no reliable bound on their initial online performance. To address these two issues, we introduce two algorithms. Firstly, SOReL: an algorithm for safe offline reinforcement learning. Using only offline data, our Bayesian approach infers a posterior over environment dynamics to obtain a reliable estimate of the online performance via the posterior predictive uncertainty. Crucially, all hyperparameters are also tuned fully offline. Secondly, we introduce TOReL: a tuning for offline reinforcement learning algorithm that extends our information rate based offline hyperparameter tuning methods to general offline RL approaches. Our empirical evaluation confirms SOReL's ability to accurately estimate regret in the Bayesian setting whilst TOReL's offline hyperparameter tuning achieves competitive performance with the best online hyperparameter tuning methods using only offline data. Thus, SOReL and TOReL make a significant step towards safe and reliable offline RL, unlocking the potential for RL in the real world. Our implementations are publicly available: https://github.com/CWibault/sorel\_torel.
Authors: Carlota Par\'es-Morlans, Michelle Yi, Claire Chen, Sarah A. Wu, Rika Antonova, Tobias Gerstenberg, Jeannette Bohg
Abstract: Tasks that involve complex interactions between objects with unknown dynamics make planning before execution difficult. These tasks require agents to iteratively improve their actions after actively exploring causes and effects in the environment. For these type of tasks, we propose Causal-PIK, a method that leverages Bayesian optimization to reason about causal interactions via a Physics-Informed Kernel to help guide efficient search for the best next action. Experimental results on Virtual Tools and PHYRE physical reasoning benchmarks show that Causal-PIK outperforms state-of-the-art results, requiring fewer actions to reach the goal. We also compare Causal-PIK to human studies, including results from a new user study we conducted on the PHYRE benchmark. We find that Causal-PIK remains competitive on tasks that are very challenging, even for human problem-solvers.
Authors: Youngsoo Choi, Siu Wun Cheung, Youngkyu Kim, Ping-Hsuan Tsai, Alejandro N. Diaz, Ivan Zanardi, Seung Whan Chung, Dylan Matthew Copeland, Coleman Kendrick, William Anderson, Traian Iliescu, Matthias Heinkenschloss
Abstract: The widespread success of foundation models in natural language processing and computer vision has inspired researchers to extend the concept to scientific machine learning and computational science. However, this position paper argues that as the term "foundation model" is an evolving concept, its application in computational science is increasingly used without a universally accepted definition, potentially creating confusion and diluting its precise scientific meaning. In this paper, we address this gap by proposing a formal definition of foundation models in computational science, grounded in the core values of generality, reusability, and scalability. We articulate a set of essential and desirable characteristics that such models must exhibit, drawing parallels with traditional foundational methods, like the finite element and finite volume methods. Furthermore, we introduce the Data-Driven Finite Element Method (DD-FEM), a framework that fuses the modular structure of classical FEM with the representational power of data-driven learning. We demonstrate how DD-FEM addresses many of the key challenges in realizing foundation models for computational science, including scalability, adaptability, and physics consistency. By bridging traditional numerical methods with modern AI paradigms, this work provides a rigorous foundation for evaluating and developing novel approaches toward future foundation models in computational science.
Authors: Xingjian Wu, Xiangfei Qiu, Hongfan Gao, Jilin Hu, Bin Yang, Chenjuan Guo
Abstract: Probabilistic Time Series Forecasting (PTSF) plays a crucial role in decision-making across various fields, including economics, energy, and transportation. Most existing methods excell at short-term forecasting, while overlooking the hurdles of Long-term Probabilistic Time Series Forecasting (LPTSF). As the forecast horizon extends, the inherent nonlinear dynamics have a significant adverse effect on prediction accuracy, and make generative models inefficient by increasing the cost of each iteration. To overcome these limitations, we introduce $K^2$VAE, an efficient VAE-based generative model that leverages a KoopmanNet to transform nonlinear time series into a linear dynamical system, and devises a KalmanNet to refine predictions and model uncertainty in such linear system, which reduces error accumulation in long-term forecasting. Extensive experiments demonstrate that $K^2$VAE outperforms state-of-the-art methods in both short- and long-term PTSF, providing a more efficient and accurate solution.
Authors: Nikita Agrawal, Simon Mertel, Ruben Mayer
Abstract: Post-training of foundation language models has emerged as a promising research domain in federated learning (FL) with the goal to enable privacy-preserving model improvements and adaptations to user's downstream tasks. Recent advances in this area adopt centralized post-training approaches that build upon black-box foundation language models where there is no access to model weights and architecture details. Although the use of black-box models has been successful in centralized post-training, their blind replication in FL raises several concerns. Our position is that using black-box models in FL contradicts the core principles of federation such as data privacy and autonomy. In this position paper, we critically analyze the usage of black-box models in federated post-training, and provide a detailed account of various aspects of openness and their implications for FL.
Authors: Isaac Meza, Rahul Singh
Abstract: Several causal parameters in short panel data models are functionals of a nested nonparametric instrumental variable regression (nested NPIV). Recent examples include mediated, time varying, and long term treatment effects identified using proxy variables. In econometrics, examples arise in triangular simultaneous equations and hedonic price systems. However, it appears that explicit mean square convergence rates for nested NPIV are unknown, preventing inference on some of these parameters with generic machine learning. A major challenge is compounding ill posedness due to the nested inverse problems. To limit how ill posedness compounds, we introduce two techniques: relative well posedness, and multiple robustness to ill posedness. With these techniques, we provide explicit mean square rates for nested NPIV and efficient inference for recently identified causal parameters. Our nonasymptotic analysis accommodates neural networks, random forests, and reproducing kernel Hilbert spaces. It extends to causal functions, e.g. heterogeneous long term treatment effects.
Authors: Ivan Stelmakh, John Wieting, Sarina Xi, Graham Neubig, Nihar B. Shah
Abstract: Many peer-review venues are using algorithms to assign submissions to reviewers. The crux of such automated approaches is the notion of the "similarity score" -- a numerical estimate of the expertise of a reviewer in reviewing a paper -- and many algorithms have been proposed to compute these scores. However, these algorithms have not been subjected to a principled comparison, making it difficult for stakeholders to choose the algorithm in an evidence-based manner. The key challenge in comparing existing algorithms and developing better algorithms is the lack of publicly available gold-standard data. We address this challenge by collecting a novel dataset of similarity scores that we release to the research community. Our dataset consists of 477 self-reported expertise scores provided by 58 researchers who evaluated their expertise in reviewing papers they have read previously. Using our dataset, we compare several widely used similarity algorithms and offer key insights. First, all algorithms exhibit significant error, with misranking rates between 12%-30% in easier cases and 36%-43% in harder ones. Second, most specialized algorithms are designed to work with titles and abstracts of papers, and in this regime the SPECTER2 algorithm performs best. Interestingly, classical TF-IDF matches SPECTER2 in accuracy when given access to full submission texts. In contrast, off-the-shelf LLMs lag behind specialized approaches.
Authors: Lesi Chen, Yaohua Ma, Jingzhao Zhang
Abstract: In this work, we consider bilevel optimization when the lower-level problem is strongly convex. Recent works show that with a Hessian-vector product (HVP) oracle, one can provably find an $\epsilon$-stationary point within ${\mathcal{O}}(\epsilon^{-2})$ oracle calls. However, the HVP oracle may be inaccessible or expensive in practice. Kwon et al. (ICML 2023) addressed this issue by proposing a first-order method that can achieve the same goal at a slower rate of $\tilde{\mathcal{O}}(\epsilon^{-3})$. In this paper, we incorporate a two-time-scale update to improve their method to achieve the near-optimal $\tilde {\mathcal{O}}(\epsilon^{-2})$ first-order oracle complexity. Our analysis is highly extensible. In the stochastic setting, our algorithm can achieve the stochastic first-order oracle complexity of $\tilde {\mathcal{O}}(\epsilon^{-4})$ and $\tilde {\mathcal{O}}(\epsilon^{-6})$ when the stochastic noises are only in the upper-level objective and in both level objectives, respectively. When the objectives have higher-order smoothness conditions, our deterministic method can escape saddle points by injecting noise, and can be accelerated to achieve a faster rate of $\tilde {\mathcal{O}}(\epsilon^{-1.75})$ using Nesterov's momentum.
Authors: Patrick Emedom-Nnamdi, Timothy R. Smith, Jukka-Pekka Onnela, Junwei Lu
Abstract: We propose a nonparametric additive model for estimating interpretable value functions in reinforcement learning, with an application in optimizing postoperative recovery through personalized, adaptive recommendations. While reinforcement learning has achieved significant success in various domains, recent methods often rely on black-box approaches such as neural networks, which hinder the examination of individual feature contributions to a decision-making policy. Our novel method offers a flexible technique for estimating action-value functions without explicit parametric assumptions, overcoming the limitations of the linearity assumption of classical algorithms. By incorporating local kernel regression and basis expansion, we obtain a sparse, additive representation of the action-value function, enabling local approximation and retrieval of nonlinear, independent contributions of select state features and the interactions between joint feature pairs. We validate our approach through a simulation study and apply it to spine disease recovery, uncovering recommendations aligned with clinical knowledge. This method bridges the gap between flexible machine learning techniques and the interpretability required in healthcare applications, paving the way for more personalized interventions.
Authors: Eren Kurshan
Abstract: Artificial intelligence (AI) faces a trifecta of grand challenges: the Energy Wall, the Alignment Problem and the Leap from Narrow AI to AGI. We present SAGI, a Systematic Approach to AGI that utilizes system design principles to overcome the energy wall and alignment challenges. This paper asserts that AGI can be realized through multiplicity of design specific pathways and customized through system design rather than a singular overarching architecture. AGI systems may exhibit diver architectural configurations and capabilities, contingent upon their intended use cases. Alignment, a challenge broadly recognized as AIs most formidable, is the one that depends most critically on system design and serves as its primary driving force as a foundational criterion for AGI. Capturing the complexities of human morality for alignment requires architectural support to represent the intricacies of moral decision-making and the pervasive ethical processing at every level, with performance reliability exceeding that of human moral judgment. Hence, requiring a more robust architecture towards safety and alignment goals, without replicating or resembling the human brain. We argue that system design (such as feedback loops, energy and performance optimization) on learning substrates (capable of learning its system architecture) is more fundamental to achieving AGI goals and guarantees, superseding classical symbolic, emergentist and hybrid approaches. Through learning of the system architecture itself, the resulting AGI is not a product of spontaneous emergence but of systematic design and deliberate engineering, with core features, including an integrated moral architecture, deeply embedded within its architecture. The approach aims to guarantee design goals such as alignment, efficiency by self-learning system architecture.
Authors: Zeyu Song, Ehsanul Kabir, Shagufta Mehnaz
Abstract: Graph Neural Networks (GNNs) have become indispensable tools for learning from graph structured data, catering to various applications such as social network analysis and fraud detection for financial services. At the heart of these networks are the edges, which are crucial in guiding GNN models' predictions. In many scenarios, these edges represent sensitive information, such as personal associations or financial dealings, which require privacy assurance. However, their contributions to GNN model predictions may, in turn, be exploited by the adversary to compromise their privacy. Motivated by these conflicting requirements, this paper investigates edge privacy in contexts where adversaries possess only black-box access to the target GNN model, restricted further by access controls, preventing direct insights into arbitrary node outputs. Moreover, we are the first to extensively examine situations where the target graph continuously evolves, a common trait of many real-world graphs. In this setting, we present a range of attacks that leverage the message-passing mechanism of GNNs. We evaluated the effectiveness of our attacks using nine real-world datasets, encompassing both static and dynamic graphs, across four different GNN architectures. The results demonstrate that our attack outperforms existing methods across various GNN architectures, consistently achieving an F1 score of at least 0.8 in static scenarios. Furthermore, our attack retains robustness in dynamic graph scenarios, maintaining F1 scores up to 0.8, unlike previous methods that only achieve F1 scores around 0.2.
Authors: Yiheng Jiang, Sinho Chewi, Aram-Alexandre Pooladian
Abstract: We develop a theory of finite-dimensional polyhedral subsets over the Wasserstein space and optimization of functionals over them via first-order methods. Our main application is to the problem of mean-field variational inference, which seeks to approximate a distribution $\pi$ over $\mathbb{R}^d$ by a product measure $\pi^\star$. When $\pi$ is strongly log-concave and log-smooth, we provide (1) approximation rates certifying that $\pi^\star$ is close to the minimizer $\pi^\star_\diamond$ of the KL divergence over a \emph{polyhedral} set $\mathcal{P}_\diamond$, and (2) an algorithm for minimizing $\text{KL}(\cdot\|\pi)$ over $\mathcal{P}_\diamond$ based on accelerated gradient descent over $\R^d$. As a byproduct of our analysis, we obtain the first end-to-end analysis for gradient-based algorithms for MFVI.
Authors: Anh Dang, Reza Babanezhad, Sharan Vaswani
Abstract: Stochastic heavy ball momentum (SHB) is commonly used to train machine learning models, and often provides empirical improvements over stochastic gradient descent. By primarily focusing on strongly-convex quadratics, we aim to better understand the theoretical advantage of SHB and subsequently improve the method. For strongly-convex quadratics, Kidambi et al. (2018) show that SHB (with a mini-batch of size $1$) cannot attain accelerated convergence, and hence has no theoretical benefit over SGD. They conjecture that the practical gain of SHB is a by-product of using larger mini-batches. We first substantiate this claim by showing that SHB can attain an accelerated rate when the mini-batch size is larger than a threshold $b^*$ that depends on the condition number $\kappa$. Specifically, we prove that with the same step-size and momentum parameters as in the deterministic setting, SHB with a sufficiently large mini-batch size results in an $O\left(\exp(-\frac{T}{\sqrt{\kappa}}) + \sigma \right)$ convergence when measuring the distance to the optimal solution in the $\ell_2$ norm, where $T$ is the number of iterations and $\sigma^2$ is the variance in the stochastic gradients. We prove a lower-bound which demonstrates that a $\kappa$ dependence in $b^*$ is necessary. To ensure convergence to the minimizer, we design a noise-adaptive multi-stage algorithm that results in an $O\left(\exp\left(-\frac{T}{\sqrt{\kappa}}\right) + \frac{\sigma}{\sqrt{T}}\right)$ rate when measuring the distance to the optimal solution in the $\ell_2$ norm. We also consider the general smooth, strongly-convex setting and propose the first noise-adaptive SHB variant that converges to the minimizer at an $O(\exp(-\frac{T}{\kappa}) + \frac{\sigma^2}{T})$ rate when measuring the distance to the optimal solution in the squared $\ell_2$ norm. We empirically demonstrate the effectiveness of the proposed algorithms.
Authors: Tassilo Klein, Moin Nabi
Abstract: The generation of toxic content by large language models (LLMs) remains a critical challenge for the safe deployment of language technology. We propose a novel framework for implicit knowledge editing and controlled text generation by fine-tuning LLMs with a prototype-based contrastive perplexity objective. Central to our method is the construction of hard negatives - toxic outputs that are generated through adversarial paraphrasing to be semantically similar and model probability to their non-toxic counterparts. By training on these challenging and realistic pairs, our approach ensures robust and stable contrastive optimization. Experimental results in the domain of detoxification demonstrate that our method significantly reduces toxic generation while maintaining strong performance on downstream tasks such as commonsense reasoning and reading comprehension. Our findings highlight the effectiveness of exploiting hard negatives for attribute-aware fine-tuning.
Authors: Pritha Gupta, Marcel Wever, Eyke H\"ullermeier
Abstract: In today's data-driven world, the proliferation of publicly available information raises security concerns due to the information leakage (IL) problem. IL involves unintentionally exposing sensitive information to unauthorized parties via observable system information. Conventional statistical approaches rely on estimating mutual information (MI) between observable and secret information for detecting ILs, face challenges of the curse of dimensionality, convergence, computational complexity, and MI misestimation. Though effective, emerging supervised machine learning based approaches to detect ILs are limited to binary system sensitive information and lack a comprehensive framework. To address these limitations, we establish a theoretical framework using statistical learning theory and information theory to quantify and detect IL accurately. Using automated machine learning, we demonstrate that MI can be accurately estimated by approximating the typically unknown Bayes predictor's log-loss and accuracy. Based on this, we show how MI can effectively be estimated to detect ILs. Our method performs superior to state-of-the-art baselines in an empirical study considering synthetic and real-world OpenSSL TLS server datasets.
Authors: Yuzhou Gu, Zhao Song, Junze Yin
Abstract: Softmax distributions are widely used in machine learning, including Large Language Models (LLMs), where the attention unit uses softmax distributions. We abstract the attention unit as the softmax model, where given a vector input, the model produces an output drawn from the softmax distribution (which depends on the vector input). We consider the fundamental problem of binary hypothesis testing in the setting of softmax models. That is, given an unknown softmax model, which is known to be one of the two given softmax models, how many queries are needed to determine which one is the truth? We show that the sample complexity is asymptotically $O(\epsilon^{-2})$ where $\epsilon$ is a certain distance between the parameters of the models. Furthermore, we draw an analogy between the softmax model and the leverage score model, an important tool for algorithm design in linear algebra and graph theory. The leverage score model, on a high level, is a model which, given a vector input, produces an output drawn from a distribution dependent on the input. We obtain similar results for the binary hypothesis testing problem for leverage score models.
Authors: Antoine Wehenkel, Juan L. Gamella, Ozan Sener, Jens Behrmann, Guillermo Sapiro, J\"orn-Henrik Jacobsen, Marco Cuturi
Abstract: Driven by steady progress in deep generative modeling, simulation-based inference (SBI) has emerged as the workhorse for inferring the parameters of stochastic simulators. However, recent work has demonstrated that model misspecification can compromise the reliability of SBI, preventing its adoption in important applications where only misspecified simulators are available. This work introduces robust posterior estimation~(RoPE), a framework that overcomes model misspecification with a small real-world calibration set of ground-truth parameter measurements. We formalize the misspecification gap as the solution of an optimal transport~(OT) problem between learned representations of real-world and simulated observations, allowing RoPE to learn a model of the misspecification without placing additional assumptions on its nature. RoPE demonstrates how OT and a calibration set provide a controllable balance between calibrated uncertainty and informative inference, even under severely misspecified simulators. Results on four synthetic tasks and two real-world problems with ground-truth labels demonstrate that RoPE outperforms baselines and consistently returns informative and calibrated credible intervals.
Authors: Rickard Br\"uel-Gabrielsson, Jiacheng Zhu, Onkar Bhardwaj, Leshem Choshen, Kristjan Greenewald, Mikhail Yurochkin, Justin Solomon
Abstract: Fine-tuning large language models (LLMs) with low-rank adaptations (LoRAs) has become common practice, often yielding numerous copies of the same LLM differing only in their LoRA updates. This paradigm presents challenges for systems that serve real-time responses to queries that each involve a different LoRA. Prior works optimize the design of such systems but still require continuous loading and offloading of LoRAs, as it is infeasible to store thousands of LoRAs in GPU memory. To mitigate this issue, we investigate the efficacy of compression when serving LoRAs. We propose a method for the joint compression of LoRAs into a shared basis paired with LoRA-specific scaling matrices. We extend our algorithm to learn clusters of LoRAs that are amenable to joint compression, allowing it to scale gracefully to large LoRA collections. Our experiments with up to 1000 LoRAs demonstrate that compressed LoRAs preserve performance while offering major throughput gains in realistic serving scenarios with over a thousand LoRAs, maintaining 80% of the throughput of serving a single LoRA.
Authors: Alan J. X. Guo, Mengyi Wei, Yufan Dai, Yali Wei, Pengchen Zhang
Abstract: Insertion, deletion, and substitution (IDS) error-correcting codes have garnered increased attention with recent advancements in DNA storage technology. However, a universal method for designing tailored IDS-correcting codes across varying channel settings remains underexplored. We present an autoencoder-based approach, THEA-code, aimed at efficiently generating IDS-correcting codes for complex IDS channels. In the work, a disturbance-based discretization is proposed to discretize the features of the autoencoder, and a simulated differentiable IDS channel is developed as a differentiable alternative for IDS operations. These innovations facilitate the successful convergence of the autoencoder, producing channel-customized IDS-correcting codes that demonstrate commendable performance across complex IDS channels, particularly in the realistic DNA storage channel.
Authors: Xun Xian, Ganghua Wang, Xuan Bi, Jayanth Srinivasa, Ashish Kundu, Charles Fleming, Mingyi Hong, Jie Ding
Abstract: Retrieval-Augmented Generation (RAG) has been empirically shown to enhance the performance of large language models (LLMs) in knowledge-intensive domains such as healthcare, finance, and legal contexts. Given a query, RAG retrieves relevant documents from a corpus and integrates them into the LLMs' generation process. In this study, we investigate the adversarial robustness of RAG, focusing specifically on examining the retrieval system. First, across 225 different setup combinations of corpus, retriever, query, and targeted information, we show that retrieval systems are vulnerable to universal poisoning attacks in medical Q\&A. In such attacks, adversaries generate poisoned documents containing a broad spectrum of targeted information, such as personally identifiable information. When these poisoned documents are inserted into a corpus, they can be accurately retrieved by any users, as long as attacker-specified queries are used. To understand this vulnerability, we discovered that the deviation from the query's embedding to that of the poisoned document tends to follow a pattern in which the high similarity between the poisoned document and the query is retained, thereby enabling precise retrieval. Based on these findings, we develop a new detection-based defense to ensure the safe use of RAG. Through extensive experiments spanning various Q\&A domains, we observed that our proposed method consistently achieves excellent detection rates in nearly all cases.
Authors: Chaohui Xu, Qi Cui, Jinxin Dong, Weiyang He, Chip-Hong Chang
Abstract: Illegitimate reproduction, distribution and derivation of Deep Neural Network (DNN) models can inflict economic loss, reputation damage and even privacy infringement. Passive DNN intellectual property (IP) protection methods such as watermarking and fingerprinting attempt to prove the ownership upon IP violation, but they are often too late to stop catastrophic damage of IP abuse and too feeble against strong adversaries. In this paper, we propose IDEA, an Inverse Domain Expert Adaptation based proactive DNN IP protection method featuring active authorization and source traceability. IDEA generalizes active authorization as an inverse problem of domain adaptation. The multi-adaptive optimization is solved by a mixture-of-experts model with one real and two fake experts. The real expert re-optimizes the source model to correctly classify test images with a unique model user key steganographically embedded. The fake experts are trained to output random prediction on test images without or with incorrect user key embedded by minimizing their mutual information (MI) with the real expert. The MoE model is knowledge distilled into a unified protected model to avoid leaking the expert model features by maximizing their MI with additional multi-layer attention and contrastive representation loss optimization. IDEA not only prevents unauthorized users without the valid key to access the functional model, but also enable the model owner to validate the deployed model and trace the source of IP infringement. We extensively evaluate IDEA on five datasets and four DNN models to demonstrate its effectiveness in authorization control, culprit tracing success rate, and robustness against various attacks.
Authors: Moein Khajehnejad, Forough Habibollahi, Ahmad Khajehnejad, Chris French, Brett J. Kagan, Adeel Razi
Abstract: Understanding how neuronal networks reorganize in response to external stimuli and give rise to behavior is a central challenge in neuroscience and artificial intelligence. However, existing methods often fail to capture the evolving structure of neural connectivity in ways that capture its relationship to behavior, especially in dynamic, uncertain, or high-dimensional settings with sufficient resolution or interpretability. We introduce the Temporal Attention-enhanced Variational Graph Recurrent Neural Network (TAVRNN), a novel framework that models time-varying neuronal connectivity by integrating probabilistic graph learning with temporal attention mechanisms. TAVRNN learns latent dynamics at the single-unit level while maintaining interpretable population-level representations, to identify key connectivity patterns linked to behavior. TAVRNN generalizes across diverse neural systems and modalities, demonstrating state-of-the-art classification and clustering performance. We validate TAVRNN on three diverse datasets: (1) electrophysiological data from a freely behaving rat, (2) primate somatosensory cortex recordings during a reaching task, and (3) biological neurons in the DishBrain platform interacting with a virtual game environment. Our method outperforms state-of-the-art dynamic embedding techniques, revealing previously unreported relationships between adaptive behavior and the evolving topological organization of neural networks. These findings demonstrate that TAVRNN offers a powerful and generalizable approach for modeling neural dynamics across experimental and synthetic biological systems. Its architecture is modality-agnostic and scalable, making it applicable across a wide range of neural recording platforms and behavioral paradigms.
Authors: Ye Wang, Sipeng Zheng, Bin Cao, Qianshan Wei, Weishuai Zeng, Qin Jin, Zongqing Lu
Abstract: Inspired by the recent success of LLMs, the field of human motion understanding has increasingly shifted toward developing large motion models. Despite some progress, current efforts remain far from achieving truly generalist models, primarily due to the lack of massive high-quality data. To address this gap, we present MotionLib, the first million-level dataset for motion generation, which is at least 15$\times$ larger than existing counterparts and enriched with hierarchical text descriptions. Using MotionLib, we train a large motion model named \projname, demonstrating robust performance across a wide range of human activities, including unseen ones. Through systematic investigation, for the first time, we highlight the importance of scaling both data and model size for advancing motion generation, along with key insights to achieve this goal. To better integrate the motion modality, we propose Motionbook, an innovative motion encoding approach including (1) a compact yet lossless feature to represent motions; (2) a novel 2D lookup-free motion tokenizer that preserves fine-grained motion details while expanding codebook capacity, significantly enhancing the representational power of motion tokens. We believe this work lays the groundwork for developing more versatile and powerful motion generation models in the future. For further details, visit https://beingbeyond.github.io/Being-M0/.
Authors: Shan Xie, Man Luo, Chadly Daniel Stern, Mengnan Du, Lu Cheng
Abstract: Large language models (LLMs) using in-context learning (ICL) excel in many tasks without task-specific fine-tuning. However, demonstration selection and ordering greatly impact ICL effectiveness. To address this, we propose DemoShapley and Beta-DemoShapley, inspired by Data Shapley and Beta Shapley, to assess the influence of individual demonstrations. DemoShapley captures how each example influences performance in different contexts, unlike other influence-based methods that rely on a fixed number of demonstrations. Beta-DemoShapley further enhances this framework by incorporating the Beta distribution, allowing users to assign higher weights to smaller cardinalities, which aligns with ICL's prompt length and computational constraints. Our findings show that the proposed algorithms improve model performance by selecting quality demonstrations, and enhancing generalization to out-of-distribution tasks. It also identifies noise-compromised data and promotes fairness in LLMs, protecting model performance and ensuring robustness across various scenarios.
Authors: Ronja Stern, Ken Kawamura, Matthias St\"urmer, Ilias Chalkidis, Joel Niklaus
Abstract: Many court systems are overwhelmed all over the world, leading to huge backlogs of pending cases. Effective triage systems, like those in emergency rooms, could ensure proper prioritization of open cases, optimizing time and resource allocation in the court system. In this work, we introduce the Criticality Prediction dataset, a novel resource for evaluating case prioritization. Our dataset features a two-tier labeling system: (1) the binary LD-Label, identifying cases published as Leading Decisions (LD), and (2) the more granular Citation-Label, ranking cases by their citation frequency and recency, allowing for a more nuanced evaluation. Unlike existing approaches that rely on resource-intensive manual annotations, we algorithmically derive labels leading to a much larger dataset than otherwise possible. We evaluate several multilingual models, including both smaller fine-tuned models and large language models in a zero-shot setting. Our results show that the fine-tuned models consistently outperform their larger counterparts, thanks to our large training set. Our results highlight that for highly domain-specific tasks like ours, large training sets are still valuable.
Authors: Ricardo Baptista, Michael Brennan, Youssef Marzouk
Abstract: Gradient-based dimension reduction decreases the cost of Bayesian inference and probabilistic modeling by identifying maximally informative (and informed) low-dimensional projections of the data and parameters, allowing high-dimensional problems to be reformulated as cheaper low-dimensional problems. A broad family of such techniques identify these projections and provide error bounds on the resulting posterior approximations, via eigendecompositions of certain diagnostic matrices. Yet these matrices require gradients or even Hessians of the log-likelihood, excluding the purely data-driven setting and many problems of simulation-based inference. We propose a framework, derived from score-matching, to extend gradient-based dimension reduction to problems where gradients are unavailable. Specifically, we formulate an objective function to directly learn the score ratio function needed to compute the diagnostic matrices, propose a tailored parameterization for the score ratio network, and introduce regularization methods that capitalize on the hypothesized low-dimensional structure. We also introduce a novel algorithm to iteratively identify the low-dimensional reduced basis vectors more accurately with limited data based on eigenvalue deflation methods. We show that our approach outperforms standard score-matching for problems with low-dimensional structure, and demonstrate its effectiveness for PDE-constrained Bayesian inverse problems and conditional generative modeling.
Authors: Alec Farid, Peter Schleede, Aaron Huang, Christoffer Heckman
Abstract: We are motivated by the problem of autonomous vehicle performance validation. A key challenge is that an autonomous vehicle requires testing in every kind of driving scenario it could encounter, including rare events, to provide a strong case for safety and show there is no edge-case pathological behavior. Autonomous vehicle companies rely on potentially millions of miles driven in realistic simulation to expose the driving stack to enough miles to estimate rates and severity of collisions. To address scalability and coverage, we propose the use of a behavior foundation model, specifically a masked autoencoder (MAE), trained to reconstruct driving scenarios. We leverage the foundation model in two complementary ways: we (i) use the learned embedding space to group qualitatively similar scenarios together and (ii) fine-tune the model to label scenario difficulty based on the likelihood of a collision upon simulation. We use the difficulty scoring as importance weighting for the groups of scenarios. The result is an approach which can more rapidly estimate the rates and severity of collisions by prioritizing hard scenarios while ensuring exposure to every kind of driving scenario.
Authors: Jingyi Zhou, Senlin Luo, Haofan Chen
Abstract: Text emotion detection constitutes a crucial foundation for advancing artificial intelligence from basic comprehension to the exploration of emotional reasoning. Most existing emotion detection datasets rely on manual annotations, which are associated with high costs, substantial subjectivity, and severe label imbalances. This is particularly evident in the inadequate annotation of micro-emotions and the absence of emotional intensity representation, which fail to capture the rich emotions embedded in sentences and adversely affect the quality of downstream task completion. By proposing an all-labels and training-set label regression method, we map label values to energy intensity levels, thereby fully leveraging the learning capabilities of machine models and the interdependencies among labels to uncover multiple emotions within samples. This led to the establishment of the Emotion Quantization Network (EQN) framework for micro-emotion detection and annotation. Using five commonly employed sentiment datasets, we conducted comparative experiments with various models, validating the broad applicability of our framework within NLP machine learning models. Based on the EQN framework, emotion detection and annotation are conducted on the GoEmotions dataset. A comprehensive comparison with the results from Google literature demonstrates that the EQN framework possesses a high capability for automatic detection and annotation of micro-emotions. The EQN framework is the first to achieve automatic micro-emotion annotation with energy-level scores, providing strong support for further emotion detection analysis and the quantitative research of emotion computing.
Authors: Ming Yin, Jingyang Zhang, Jingwei Sun, Minghong Fang, Hai Li, Yiran Chen
Abstract: Model merging is an emerging technique that integrates multiple models fine-tuned on different tasks to create a versatile model that excels in multiple domains. This scheme, in the meantime, may open up backdoor attack opportunities where one single malicious model can jeopardize the integrity of the merged model. Existing works try to demonstrate the risk of such attacks by assuming substantial computational resources, focusing on cases where the attacker can fully fine-tune the pre-trained model. Such an assumption, however, may not be feasible given the increasing size of machine learning models. In practice where resources are limited and the attacker can only employ techniques like Low-Rank Adaptation (LoRA) to produce the malicious model, it remains unclear whether the attack can still work and pose threats. In this work, we first identify that the attack efficacy is significantly diminished when using LoRA for fine-tuning. Then, we propose LoBAM, a method that yields high attack success rate with minimal training resources. The key idea of LoBAM is to amplify the malicious weights in an intelligent way that effectively enhances the attack efficacy. We demonstrate that our design can lead to improved attack success rate through extensive empirical experiments across various model merging scenarios. Moreover, we show that our method is highly stealthy and is difficult to detect and defend against.
Authors: Shantanu Acharya, Fei Jia, Boris Ginsburg
Abstract: Inference with Transformer-based Large Language Models (LLMs) on long sequences is both costly and slow due to the quadratic complexity of the self-attention mechanism. We introduce Star Attention, a two-phase block-sparse approximation that improves computational efficiency by sharding attention across multiple hosts while minimizing communication overhead. In the first phase, the context is processed using blockwise-local attention across hosts, in parallel. In the second phase, query and response tokens attend to all prior cached tokens through sequence-global attention. Star Attention integrates seamlessly with most Transformer-based LLMs trained with global attention, reducing memory requirements and inference time by up to 11x while preserving 97-100% of accuracy.
Authors: Minzheng Wang, Xinghua Zhang, Kun Chen, Nan Xu, Haiyang Yu, Fei Huang, Wenji Mao, Yongbin Li
Abstract: Large language models (LLMs) enabled dialogue systems have become one of the central modes in human-machine interaction, which bring about vast amounts of conversation logs and increasing demand for dialogue generation. The dialogue's life-cycle spans from $\textit{Prelude}$ through $\textit{Interlocution}$ to $\textit{Epilogue}$, encompassing rich dialogue elements. Despite large volumes of dialogue-related studies, there is a lack of systematic investigation into the dialogue stages to frame benchmark construction that covers comprehensive dialogue elements. This hinders the precise modeling, generation and assessment of LLMs-based dialogue systems. To bridge this gap, in this paper, we introduce a new research task--$\textbf{D}$ialogue $\textbf{E}$lement $\textbf{MO}$deling, including $\textit{Element Awareness}$ and $\textit{Dialogue Agent Interaction}$, and propose a novel benchmark, $\textbf{DEMO}$, designed for a comprehensive dialogue modeling and assessment. On this basis, we further build the DEMO agent with the adept ability to model dialogue elements via imitation learning. Extensive experiments on DEMO indicate that current representative LLMs still have considerable potential for enhancement, and our DEMO agent performs well in both dialogue element modeling and out-of-domain tasks.
Authors: Anton Baumann, Rui Li, Marcus Klasson, Santeri Mentu, Shyamgopal Karthik, Zeynep Akata, Arno Solin, Martin Trapp
Abstract: Vision-language models (VLMs), such as CLIP and SigLIP, have found remarkable success in classification, retrieval, and generative tasks. For this, VLMs deterministically map images and text descriptions to a joint latent space in which their similarity is assessed using the cosine similarity. However, a deterministic mapping of inputs fails to capture uncertainties over concepts arising from domain shifts when used in downstream tasks. In this work, we propose post-hoc uncertainty estimation in VLMs that does not require additional training. Our method leverages a Bayesian posterior approximation over the last layers in VLMs and analytically quantifies uncertainties over cosine similarities. We demonstrate its effectiveness for uncertainty quantification and support set selection in active learning. Compared to baselines, we obtain improved and well-calibrated predictive uncertainties, interpretable uncertainty estimates, and sample-efficient active learning. Our results show promise for safety-critical applications of large-scale models.
Authors: Zong Ke, Jingyu Xu, Zizhou Zhang, Yu Cheng, Wenjun Wu
Abstract: This paper provides a unique approach with AI algorithms to predict emerging stock markets volatility. Traditionally, stock volatility is derived from historical volatility,Monte Carlo simulation and implied volatility as well. In this paper, the writer designs a consolidated model with back-propagation neural network and genetic algorithm to predict future volatility of emerging stock markets and found that the results are quite accurate with low errors.
Authors: Mang Ning, Mingxiao Li, Jianlin Su, Haozhe Jia, Lanmiao Liu, Martin Bene\v{s}, Wenshuo Chen, Albert Ali Salah, Itir Onal Ertugrul
Abstract: This paper explores image modeling from the frequency space and introduces DCTdiff, an end-to-end diffusion generative paradigm that efficiently models images in the discrete cosine transform (DCT) space. We investigate the design space of DCTdiff and reveal the key design factors. Experiments on different frameworks (UViT, DiT), generation tasks, and various diffusion samplers demonstrate that DCTdiff outperforms pixel-based diffusion models regarding generative quality and training efficiency. Remarkably, DCTdiff can seamlessly scale up to 512$\times$512 resolution without using the latent diffusion paradigm and beats latent diffusion (using SD-VAE) with only 1/4 training cost. Finally, we illustrate several intriguing properties of DCT image modeling. For example, we provide a theoretical proof of why 'image diffusion can be seen as spectral autoregression', bridging the gap between diffusion and autoregressive models. The effectiveness of DCTdiff and the introduced properties suggest a promising direction for image modeling in the frequency space. The code is https://github.com/forever208/DCTdiff.
Authors: Zhangsong Li
Abstract: In this paper, we focus on the matching recovery problem between a pair of correlated Gaussian Wigner matrices with a latent vertex correspondence. We are particularly interested in a robust version of this problem such that our observation is a perturbed input $(A+E,B+F)$ where $(A,B)$ is a pair of correlated Gaussian Wigner matrices and $E,F$ are adversarially chosen matrices supported on an unknown $\epsilon n * \epsilon n$ principle minor of $A,B$, respectively. We propose a vector approximate message passing (vector AMP) algorithm that succeeds in polynomial time as long as the correlation $\rho$ between $(A,B)$ is a non-vanishing constant and $\epsilon = o\big( \tfrac{1}{(\log n)^{20}} \big)$. The main methodological inputs for our result are the iterative random graph matching algorithm proposed in \cite{DL22+, DL23+} and the spectral cleaning procedure proposed in \cite{IS24+}. To the best of our knowledge, our algorithm is the first efficient random graph matching type algorithm that is robust under any adversarial perturbations of $n^{1-o(1)}$ size.
Authors: Ivan Zakazov, Mikolaj Boronski, Lorenzo Drudi, Robert West
Abstract: The ongoing revolution in language modeling has led to various novel applications, some of which rely on the emerging social abilities of large language models (LLMs). Already, many turn to the new cyber friends for advice during the pivotal moments of their lives and trust them with the deepest secrets, implying that accurate shaping of the LLM's personality is paramount. To this end, state-of-the-art approaches exploit a vast variety of training data, and prompt the model to adopt a particular personality. We ask (i) if personality-prompted models behave (i.e., make decisions when presented with a social situation) in line with the ascribed personality (ii) if their behavior can be finely controlled. We use classic psychological experiments, the Milgram experiment and the Ultimatum Game, as social interaction testbeds and apply personality prompting to open- and closed-source LLMs from 4 different vendors. Our experiments reveal failure modes of the prompt-based modulation of the models' behavior that are shared across all models tested and persist under prompt perturbations. These findings challenge the optimistic sentiment toward personality prompting generally held in the community.
Authors: Siavash Ameli, Siyuan Zhuang, Ion Stoica, Michael W. Mahoney
Abstract: Large language models (LLMs) have transformed natural language processing, with frameworks like Chatbot Arena providing pioneering platforms for evaluating these models. By facilitating millions of pairwise comparisons based on human judgments, Chatbot Arena has become a cornerstone in LLM evaluation, offering rich datasets for ranking models in open-ended conversational tasks. Building upon this foundation, we propose a statistical framework that incorporates key advancements to address specific challenges in pairwise comparison analysis. First, we introduce a factored tie model that enhances the ability to handle ties -- an integral aspect of human-judged comparisons -- significantly improving the model's fit to observed data. Second, we extend the framework to model covariance between competitors, enabling deeper insights into performance relationships and facilitating intuitive groupings into performance tiers. Third, we resolve optimization challenges arising from parameter non-uniqueness by introducing novel constraints, ensuring stable and interpretable parameter estimation. Through rigorous evaluation and extensive experimentation, our framework demonstrates substantial improvements over existing methods in modeling pairwise comparison data. To support reproducibility and practical adoption, we release leaderbot, an open-source Python package implementing our models and analyses.
Authors: Ali Bavafa, Gholam-Ali Hossein-Zadeh
Abstract: Understanding the causal interactions in some brain tasks, such as face processing, remains a challenging and ambiguous process for researchers. In this study, we address this issue by employing a novel causal discovery method -Directed Acyclic Graphs via M-matrices for Acyclicity (DAGMA)- to investigate the causal structure of the brain's face-selective network and gain deeper insights into its mechanism. Using fMRI data of natural movie stimuli, we extract causal network of face-selective regions and analyze how frames containing faces influence this network. Specifically, our findings reveal that the presence of faces in the stimuli, causally affects the number of identified connections within the network. Additionally, our results highlight the crucial role of subcortical regions in satisfying causal sufficiency, emphasizing it's importance in causal studies of brain. This study provides a new perspective on understanding the causal architecture of the face-selective network of the brain, motivating further research on neural causality.
Authors: Ang Lv, Ruobing Xie, Yining Qian, Songhao Wu, Xingwu Sun, Zhanhui Kang, Di Wang, Rui Yan
Abstract: Mixture-of-Experts (MoE) models mostly use a router to assign tokens to specific expert modules, activating only partial parameters and often outperforming dense models. We argue that the separation between the router's decision-making and the experts' execution is a critical yet overlooked issue, leading to suboptimal expert selection and ineffective learning. To address this, we propose Autonomy-of-Experts (AoE), a novel MoE paradigm in which experts autonomously select themselves to process inputs. AoE is based on the insight that an expert is aware of its own capacity to effectively process a token, an awareness reflected in the scale of its internal activations. In AoE, routers are removed; instead, experts pre-compute internal activations for inputs and are ranked based on their activation norms. Only the top-ranking experts proceed with the forward pass, while the others abort. The overhead of pre-computing activations is reduced through a low-rank weight factorization. This self-evaluating-then-partner-comparing approach ensures improved expert selection and effective learning. We pre-train language models having 700M up to 4B parameters, demonstrating that AoE outperforms traditional MoE models with comparable efficiency.
Authors: Jierui Zuo, Hanzhang Qin
Abstract: We provide a new online learning algorithm for tackling the Multinomial Logit Bandit (MNL-Bandit) problem. Despite the challenges posed by the combinatorial nature of the MNL model, we develop a novel Upper Confidence Bound (UCB)-based method that achieves Pareto optimality by balancing regret minimization and estimation error of the assortment revenues and the MNL parameters. We develop theoretical guarantees characterizing the tradeoff between regret and estimation error for the MNL-Bandit problem through information-theoretic bounds, and propose a modified UCB algorithm that incorporates forced exploration to improve parameter estimation accuracy while maintaining low regret. Our analysis sheds critical insights into how to optimally balance the collected revenues and the treatment estimation in dynamic assortment optimization.
Authors: Daniel Herrera-Esposito, Johannes Burge
Abstract: Supervised dimensionality reduction aims to map labeled data to a low-dimensional feature space while maximizing class discriminability. Directly computing discriminability is often impractical, so an alternative approach is to learn features that maximize a distance or dissimilarity measure between classes. The Fisher-Rao distance is an important information geometry distance in statistical manifolds. It is induced by the Fisher information metric, a tool widely used for understanding neural representations. Despite its theoretical and pratical appeal, Fisher-Rao distances between classes have not been used as a maximization objective in supervised feature learning. Here, we present Supervised Quadratic Feature Analysis (SQFA), a linear dimensionality reduction method that maximizes Fisher-Rao distances between class distributions, by exploiting the information geometry of the symmetric positive definite manifold. SQFA maximizes distances using first- and second-order statistics, and its features allow for quadratic discriminability (i.e. QDA performance) matching or surpassing state-of-the-art methods on real-world datasets. We theoretically motivate Fisher-Rao distances as a proxy for quadratic discriminability, and compare its performance to other popular distances (e.g. Wasserstein distances). SQFA provides a flexible state-of-the-art method for dimensionality reduction. Its successful use of Fisher-Rao distances between classes motivates future research directions.
Authors: Shuo Wang, Bokui Wang, Zhixiang Shen, Boyan Deng, Zhao Kang
Abstract: Recent advances in CV and NLP have inspired researchers to develop general-purpose graph foundation models through pre-training across diverse domains. However, a fundamental challenge arises from the substantial differences in graph topologies across domains. Additionally, real-world graphs are often sparse and prone to noisy connections and adversarial attacks. To address these issues, we propose the Multi-Domain Graph Foundation Model (MDGFM), a unified framework that aligns and leverages cross-domain topological information to facilitate robust knowledge transfer. MDGFM bridges different domains by adaptively balancing features and topology while refining original graphs to eliminate noise and align topological structures. To further enhance knowledge transfer, we introduce an efficient prompt-tuning approach. By aligning topologies, MDGFM not only improves multi-domain pre-training but also enables robust knowledge transfer to unseen domains. Theoretical analyses provide guarantees of MDGFM's effectiveness and domain generalization capabilities. Extensive experiments on both homophilic and heterophilic graph datasets validate the robustness and efficacy of our method.
Authors: Hao Chen, Yujin Han, Fangyi Chen, Xiang Li, Yidong Wang, Jindong Wang, Ze Wang, Zicheng Liu, Difan Zou, Bhiksha Raj
Abstract: Recent advances in latent diffusion models have demonstrated their effectiveness for high-resolution image synthesis. However, the properties of the latent space from tokenizer for better learning and generation of diffusion models remain under-explored. Theoretically and empirically, we find that improved generation quality is closely tied to the latent distributions with better structure, such as the ones with fewer Gaussian Mixture modes and more discriminative features. Motivated by these insights, we propose MAETok, an autoencoder (AE) leveraging mask modeling to learn semantically rich latent space while maintaining reconstruction fidelity. Extensive experiments validate our analysis, demonstrating that the variational form of autoencoders is not necessary, and a discriminative latent space from AE alone enables state-of-the-art performance on ImageNet generation using only 128 tokens. MAETok achieves significant practical improvements, enabling a gFID of 1.69 with 76x faster training and 31x higher inference throughput for 512x512 generation. Our findings show that the structure of the latent space, rather than variational constraints, is crucial for effective diffusion models. Code and trained models are released.
Authors: Omar Naim, Nicholas Asher
Abstract: We examine limits of in-context learning (ICL) in transformer models trained from scratch, focusing on function approximation tasks as a controlled setting to uncover fundamental behaviors. While we show empirically that transformer models can generalize, approximating unseen classes of polynomial (non linear) functions, they cannot generalize beyond certain values. We provide both empirical and mathematical arguments explaining that these limitations stem from architectural components, namely layer normalization and the attention scoring function, softmax. Together, our findings reveal structural constraints on ICL that are often masked in more complex NLP tasks but that need to be understood to improve robustness and interpretability in transformer-based models.
Authors: Hongfu Gao, Feipeng Zhang, Hao Zeng, Deyu Meng, Bingyi Jing, Hongxin Wei
Abstract: Large language models (LLMs) have shown impressive performance on downstream tasks through in-context learning (ICL), which heavily relies on the demonstrations selected from annotated datasets. However, these datasets often exhibit long-tailed class distributions in real-world scenarios, leading to biased demonstration selection. In this work, we show that such class imbalances significantly degrade the ICL performance across various tasks, regardless of selection methods. Moreover, classical rebalancing methods, which focus solely on class weights, yield poor performance due to neglecting condition bias--skewed feature distributions within classes. To address this, we propose Reweighting with Conditional Bias (dubbed RCB), a simple and complementary approach to enhance ICL performance under class imbalance. In particular, RCB estimates conditional bias using a balanced subset and re-weights demonstration scores based on both class weight and conditional bias. In effect, RCB prevents over-selection from dominant classes while preserving the efficacy of current selection methods. Extensive experiments on common benchmarks demonstrate the effectiveness of our method, improving the average accuracy of current selection methods by up to 5.42%.
Authors: Xueru Wen, Jie Lou, Xinyu Lu, Junjie Yang, Yanjiang Liu, Yaojie Lu, Debing Zhang, Xing Yu
Abstract: As AI capabilities increasingly surpass human proficiency in complex tasks, current alignment techniques including SFT and RLHF face fundamental challenges in ensuring reliable oversight. These methods rely on direct human assessment and become untenable when AI outputs exceed human cognitive thresholds. In response to this challenge, we explore two hypotheses: (1) \textit{Critique of critique can be easier than critique itself}, extending the widely-accepted observation that verification is easier than generation to the critique domain, as critique itself is a specialized form of generation; (2) \textit{This difficulty relationship is recursively held}, suggesting that when direct evaluation is infeasible, performing high-order critiques (e.g., critique of critique of critique) offers a more tractable supervision pathway. We further conduct Human-AI and AI-AI experiments to investigate the potential of utilizing recursive self-critiquing for AI supervision. Our results highlight recursive critique as a promising approach for scalable AI oversight.
Authors: Toufique Ahmed, Jatin Ganhotra, Rangeet Pan, Avraham Shinnar, Saurabh Sinha, Martin Hirzel
Abstract: While there has been plenty of work on generating tests from existing code, there has been limited work on generating tests from issues. A correct test must validate the code patch that resolves the issue. This paper focuses on the scenario where that code patch does not yet exist. Doing so supports two major use-cases. First, it supports TDD (test-driven development), the discipline of "test first, write code later" that has well-documented benefits for human software engineers. Second, it also validates SWE (software engineering) agents, which generate code patches for resolving issues. This paper introduces TDD-Bench-Verified, a benchmark for generating tests from issues, and Otter, an LLM-based solution for this task. Otter augments LLMs with rule-based analysis to check and repair their outputs, and introduces a novel self-reflective action planner. Experiments show Otter outperforming state-of-the-art systems for generating tests from issues, in addition to enhancing systems that generate patches from issues. We hope that Otter helps make developers more productive at resolving issues and leads to more robust, well-tested code.
Authors: Kafi Anan, Anindya Bhattacharjee, Ashir Intesher, Kaidul Islam, Abrar Assaeem Fuad, Utsab Saha, Hafiz Imtiaz
Abstract: Effective deepfake detection tools are becoming increasingly essential to the growing usage of deepfakes in unethical practices. There exists a wide range of deepfake generation techniques, which makes it challenging to develop an accurate universal detection mechanism. The 2025 IEEE Signal Processing Cup (\textit{DFWild-Cup} competition) provided a diverse dataset of deepfake images containing significant class imbalance. The images in the dataset are generated from multiple deepfake image generators, for training machine learning model(s) to emphasize the generalization of deepfake detection. To this end, we proposed a disjoint set-based multistage training method to address the class imbalance and devised an ensemble-based architecture \emph{CAE-Net}. Our architecture consists of a convolution- and attention-based ensemble network, and employs three different neural network architectures: EfficientNet, Data-Efficient Image Transformer (DeiT), and ConvNeXt with wavelet transform to capture both local and global features of deepfakes. We visualize the specific regions that these models focus on for classification using Grad-CAM, and empirically demonstrate the effectiveness of these models in grouping real and fake images into cohesive clusters using t-SNE plots. Individually, the EfficientNet B0 architecture has achieved 90.79\% accuracy, whereas the ConvNeXt and the DeiT architecture have achieved 89.49\% and 89.32\% accuracy, respectively. With these networks, our weighted ensemble model achieves an excellent accuracy of 94.63\% on the validation dataset of the SP Cup 2025 competition. The equal error rate of 4.72\% and the Area Under the ROC curve of 97.37\% further confirm the stability of our proposed method. Finally, the robustness of our proposed model against adversarial perturbation attacks is tested as well, showing the inherent defensive properties of the ensemble approach.
Authors: Georg W\"olflein, Dyke Ferber, Daniel Truhn, Ognjen Arandjelovi\'c, Jakob Nikolas Kather
Abstract: Tool use has turned large language models (LLMs) into powerful agents that can perform complex multi-step tasks by dynamically utilising external software components. However, these tools must be implemented in advance by human developers, hindering the applicability of LLM agents in domains demanding large numbers of highly specialised tools, like in life sciences and medicine. Motivated by the growing trend of scientific studies accompanied by public code repositories, we propose ToolMaker, an agentic framework that autonomously transforms papers with code into LLM-compatible tools. Given a GitHub URL and short task description, ToolMaker autonomously installs dependencies and generates code to perform the task, using a closed-loop self-correction mechanism for debugging. To evaluate our approach, we introduce a benchmark comprising 15 complex computational tasks spanning various domains with over 100 unit tests to assess correctness and robustness. Our method correctly implements 80% of the tasks, substantially outperforming current state-of-the-art software engineering agents. ToolMaker therefore is a step towards fully autonomous agent-based scientific workflows. Our code and benchmark are publicly available at https://github.com/KatherLab/ToolMaker.
Authors: Mark Vero, Niels M\"undler, Victor Chibotaru, Veselin Raychev, Maximilian Baader, Nikola Jovanovi\'c, Jingxuan He, Martin Vechev
Abstract: Automatic program generation has long been a fundamental challenge in computer science. Recent benchmarks have shown that large language models (LLMs) can effectively generate code at the function level, make code edits, and solve algorithmic coding tasks. However, to achieve full automation, LLMs should be able to generate production-quality, self-contained application modules. To evaluate the capabilities of LLMs in solving this challenge, we introduce BaxBench, a novel evaluation benchmark consisting of 392 tasks for the generation of backend applications. We focus on backends for three critical reasons: (i) they are practically relevant, building the core components of most modern web and cloud software, (ii) they are difficult to get right, requiring multiple functions and files to achieve the desired functionality, and (iii) they are security-critical, as they are exposed to untrusted third-parties, making secure solutions that prevent deployment-time attacks an imperative. BaxBench validates the functionality of the generated applications with comprehensive test cases, and assesses their security exposure by executing end-to-end exploits. Our experiments reveal key limitations of current LLMs in both functionality and security: (i) even the best model, OpenAI o1, achieves a mere 62% on code correctness; (ii) on average, we could successfully execute security exploits on around half of the correct programs generated by each LLM; and (iii) in less popular backend frameworks, models further struggle to generate correct and secure applications. Progress on BaxBench signifies important steps towards autonomous and secure software development with LLMs.
Authors: Ruida Hu, Chao Peng, Xinchen Wang, Junjielong Xu, Cuiyun Gao
Abstract: Scaling up executable code data is significant for improving language models' software engineering capability. The intricate nature of the process makes it labor-intensive, time-consuming and expert-knowledge-dependent to build a large number of executable code repositories, limiting the scalability of existing work based on running tests. The primary bottleneck lies in the automated building of test environments for different repositories, which is an essential yet underexplored task. To mitigate the gap, we introduce Repo2Run, the first LLM-based agent aiming at automating the building of executable test environments for any repositories at scale. Specifically, given a code repository, Repo2Run iteratively builds the Docker image, runs unit tests based on the feedback of the building, and synthesizes the Dockerfile until the entire pipeline is executed successfully. The resulting Dockerfile can then be used to create Docker container environments for running code and tests. We created a benchmark containing 420 Python repositories with unit tests for evaluation. The results illustrate that Repo2Run achieves an 86.0% success rate, outperforming SWE-agent by 77.0%. The resources of Repo2Run are available at https://github.com/bytedance/Repo2Run.
Authors: Stas Syrota, Yevgen Zainchkovskyy, Johnny Xi, Benjamin Bloem-Reddy, S{\o}ren Hauberg
Abstract: Deep latent variable models learn condensed representations of data that, hopefully, reflect the inner workings of the studied phenomena. Unfortunately, these latent representations are not statistically identifiable, meaning they cannot be uniquely determined. Domain experts, therefore, need to tread carefully when interpreting these. Current solutions limit the lack of identifiability through additional constraints on the latent variable model, e.g. by requiring labeled training data, or by restricting the expressivity of the model. We change the goal: instead of identifying the latent variables, we identify relationships between them such as meaningful distances, angles, and volumes. We prove this is feasible under very mild model conditions and without additional labeled data. We empirically demonstrate that our theory results in more reliable latent distances, offering a principled path forward in extracting trustworthy conclusions from deep latent variable models.
Authors: Rui Liu, Yu Shen, Peng Gao, Pratap Tokekar, Ming Lin
Abstract: Multi-modal learning has become a crucial technique for improving the performance of machine learning applications across domains such as autonomous driving, robotics, and perception systems. However, in certain scenarios, particularly in resource-constrained environments, some modalities available during training may be absent during inference. While existing frameworks effectively utilize multiple data sources during training and enable inference with reduced modalities, they are primarily designed for single-agent settings. This poses a critical limitation in dynamic environments such as connected autonomous vehicles (CAV), where incomplete data coverage can lead to decision-making blind spots. Conversely, some works explore multi-agent collaboration but without addressing missing modality at test time. To overcome these limitations, we propose Collaborative Auxiliary Modality Learning (CAML), a novel multi-modal multi-agent framework that enables agents to collaborate and share multi-modal data during training, while allowing inference with reduced modalities during testing. Experimental results in collaborative decision-making for CAV in accident-prone scenarios demonstrate that CAML achieves up to a ${\bf 58.1}\%$ improvement in accident detection. Additionally, we validate CAML on real-world aerial-ground robot data for collaborative semantic segmentation, achieving up to a ${\bf 10.6}\%$ improvement in mIoU.
Authors: Mingsheng Cai, Jiuming Jiang, Wenhao Huang, Che Liu, Rossella Arcucci
Abstract: Cardiovascular diseases are a leading cause of death and disability worldwide. Electrocardiogram (ECG) is critical for diagnosing and monitoring cardiac health, but obtaining large-scale annotated ECG datasets is labor-intensive and time-consuming. Recent ECG Self-Supervised Learning (eSSL) methods mitigate this by learning features without extensive labels but fail to capture fine-grained clinical semantics and require extensive task-specific fine-tuning. To address these challenges, we propose $\textbf{SuPreME}$, a $\textbf{Su}$pervised $\textbf{Pre}$-training framework for $\textbf{M}$ultimodal $\textbf{E}$CG representation learning. SuPreME is pre-trained using structured diagnostic labels derived from ECG report entities through a one-time offline extraction with Large Language Models (LLMs), which help denoise, standardize cardiac concepts, and improve clinical representation learning. By fusing ECG signals with textual cardiac queries instead of fixed labels, SuPreME enables zero-shot classification of unseen conditions without further fine-tuning. We evaluate SuPreME on six downstream datasets covering 106 cardiac conditions, achieving superior zero-shot AUC performance of $77.20\%$, surpassing state-of-the-art eSSLs by $4.98\%$. Results demonstrate SuPreME's effectiveness in leveraging structured, clinically relevant knowledge for high-quality ECG representations.
Authors: Farouk Mokhtar, Joosep Pata, Dolores Garcia, Eric Wulff, Mengke Zhang, Michael Kagan, Javier Duarte
Abstract: We demonstrate transfer learning capabilities in a machine-learned algorithm trained for particle-flow reconstruction in high energy particle colliders. This paper presents a cross-detector fine-tuning study, where we initially pretrain the model on a large full simulation dataset from one detector design, and subsequently fine-tune the model on a sample with a different collider and detector design. Specifically, we use the Compact Linear Collider detector (CLICdet) model for the initial training set and demonstrate successful knowledge transfer to the CLIC-like detector (CLD) proposed for the Future Circular Collider in electron-positron mode. We show that with an order of magnitude less samples from the second dataset, we can achieve the same performance as a costly training from scratch, across particle-level and event-level performance metrics, including jet and missing transverse momentum resolution. Furthermore, we find that the fine-tuned model achieves comparable performance to the traditional rule-based particle-flow approach on event-level metrics after training on 100,000 CLD events, whereas a model trained from scratch requires at least 1 million CLD events to achieve similar reconstruction performance. To our knowledge, this represents the first full-simulation cross-detector transfer learning study for particle-flow reconstruction. These findings offer valuable insights towards building large foundation models that can be fine-tuned across different detector designs and geometries, helping to accelerate the development cycle for new detectors and opening the door to rapid detector design and optimization using machine learning.
Authors: Abdessamad El-Kabid, El-Mahdi El-Mhamdi
Abstract: Machine learning systems deployed in distributed or federated environments are highly susceptible to adversarial manipulations, particularly availability attacks -adding imperceptible perturbations to training data, thereby rendering the trained model unavailable. Prior research in distributed machine learning has demonstrated such adversarial effects through the injection of gradients or data poisoning. In this study, we aim to enhance comprehension of the potential of weaker (and more probable) adversaries by posing the following inquiry: Can availability attacks be inflicted solely through the flipping of a subset of training labels, without altering features, and under a strict flipping budget? We analyze the extent of damage caused by constrained label flipping attacks. Focusing on a distributed classification problem, (1) we propose a novel formalization of label flipping attacks on logistic regression models and derive a greedy algorithm that is provably optimal at each training step. (2) To demonstrate that availability attacks can be approached by label flipping alone, we show that a budget of only $0.1\%$ of labels at each training step can reduce the accuracy of the model by $6\%$, and that some models can perform worse than random guessing when up to $25\%$ of labels are flipped. (3) We shed light on an interesting interplay between what the attacker gains from more write-access versus what they gain from more flipping budget. (4) we define and compare the power of targeted label flipping attack to that of an untargeted label flipping attack.
Authors: Joel Niklaus, Jakob Merane, Luka Nenadic, Sina Ahmadi, Yingqiang Gao, Cyrill A. H. Chevalley, Claude Humbel, Christophe G\"osken, Lorenzo Tanzi, Thomas L\"uthi, Stefan Palombo, Spencer Poff, Boling Yang, Nan Wu, Matthew Guillod, Robin Mami\'e, Daniel Brunner, Julio Pereyra, Niko Grupen
Abstract: In Switzerland legal translation is uniquely important due to the country's four official languages and requirements for multilingual legal documentation. However, this process traditionally relies on professionals who must be both legal experts and skilled translators -- creating bottlenecks and impacting effective access to justice. To address this challenge, we introduce SwiLTra-Bench, a comprehensive multilingual benchmark of over 180K aligned Swiss legal translation pairs comprising laws, headnotes, and press releases across all Swiss languages along with English, designed to evaluate LLM-based translation systems. Our systematic evaluation reveals that frontier models achieve superior translation performance across all document types, while specialized translation systems excel specifically in laws but under-perform in headnotes. Through rigorous testing and human expert validation, we demonstrate that while fine-tuning open SLMs significantly improves their translation quality, they still lag behind the best zero-shot prompted frontier models such as Claude-3.5-Sonnet. Additionally, we present SwiLTra-Judge, a specialized LLM evaluation system that aligns best with human expert assessments.
Authors: Zhanghao Hu, Hanqi Yan, Qinglin Zhu, Zhenyi Shen, Yulan He, Lin Gui
Abstract: Large language models have recently pushed open domain question answering (ODQA) to new frontiers. However, prevailing retriever-reader pipelines often depend on multiple rounds of prompt level instructions, leading to high computational overhead, instability, and suboptimal retrieval coverage. In this paper, we propose EmbQA, an embedding-level framework that alleviates these shortcomings by enhancing both the retriever and the reader. Specifically, we refine query representations via lightweight linear layers under an unsupervised contrastive learning objective, thereby reordering retrieved passages to highlight those most likely to contain correct answers. Additionally, we introduce an exploratory embedding that broadens the model's latent semantic space to diversify candidate generation and employs an entropy-based selection mechanism to choose the most confident answer automatically. Extensive experiments across three open-source LLMs, three retrieval methods, and four ODQA benchmarks demonstrate that EmbQA substantially outperforms recent baselines in both accuracy and efficiency.
Authors: Zhilin Wang, Jiaqi Zeng, Olivier Delalleau, Daniel Egert, Ellie Evans, Hoo-Chang Shin, Felipe Soares, Yi Dong, Oleksii Kuchaiev
Abstract: Inference-Time Scaling has been critical to the success of recent models such as OpenAI o1 and DeepSeek R1. However, many techniques used to train models for inference-time scaling require tasks to have answers that can be verified, limiting their application to domains such as math, coding and logical reasoning. We take inspiration from how humans make first attempts, ask for detailed feedback from others and make improvements based on such feedback across a wide spectrum of open-ended endeavors. To this end, we collect HelpSteer3 data to train dedicated Feedback and Edit Models that are capable of performing inference-time scaling for open-ended general-domain tasks. In our setup, one model generates an initial response, which are given feedback by a second model, that are then used by a third model to edit the response. We show that performance on Arena Hard, a benchmark strongly predictive of Chatbot Arena Elo can be boosted by scaling the number of initial response drafts, effective feedback and edited responses. When scaled optimally, our setup based on 70B models from the Llama 3 family can reach SoTA performance on Arena Hard at 92.7 as of 5 Mar 2025, surpassing OpenAI o1-preview-2024-09-12 with 90.4 and DeepSeek R1 with 92.3.
Authors: Jongwoo Ko, Tianyi Chen, Sungnyun Kim, Tianyu Ding, Luming Liang, Ilya Zharkov, Se-Young Yun
Abstract: Despite the success of distillation in large language models (LLMs), most prior work applies identical loss functions to both teacher- and student-generated data. These strategies overlook the synergy between loss formulations and data types, leading to a suboptimal performance boost in student models. To address this, we propose DistiLLM-2, a contrastive approach that simultaneously increases the likelihood of teacher responses and decreases that of student responses by harnessing this synergy. Our extensive experiments show that DistiLLM-2 not only builds high-performing student models across a wide range of tasks, including instruction-following and code generation, but also supports diverse applications, such as preference alignment and vision-language extensions. These findings highlight the potential of a contrastive approach to enhance the efficacy of LLM distillation by effectively aligning teacher and student models across varied data types.
Authors: Asifullah Khan, Laiba Asmatullah, Anza Malik, Shahzaib Khan, Hamna Asif
Abstract: Self-supervised learning is a machine learning approach that generates implicit labels by learning underlined patterns and extracting discriminative features from unlabeled data without manual labelling. Contrastive learning introduces the concept of "positive" and "negative" samples, where positive pairs (e.g., variation of the same image/object) are brought together in the embedding space, and negative pairs (e.g., views from different images/objects) are pushed farther away. This methodology has shown significant improvements in image understanding and image text analysis without much reliance on labeled data. In this paper, we comprehensively discuss the terminologies, recent developments and applications of contrastive learning with respect to text-image models. Specifically, we provide an overview of the approaches of contrastive learning in text-image models in recent years. Secondly, we categorize the approaches based on different model structures. Thirdly, we further introduce and discuss the latest advances of the techniques used in the process such as pretext tasks for both images and text, architectural structures, and key trends. Lastly, we discuss the recent state-of-art applications of self-supervised contrastive learning Text-Image based models.
Authors: Gabriele D'Acunto, Claudio Battiloro
Abstract: Recent advances in artificial intelligence reveal the limits of purely predictive systems and call for a shift toward causal and collaborative reasoning. Drawing inspiration from the revolution of Grothendieck in mathematics, we introduce the relativity of causal knowledge, which posits structural causal models (SCMs) are inherently imperfect, subjective representations embedded within networks of relationships. By leveraging category theory, we arrange SCMs into a functor category and show that their observational and interventional probability measures naturally form convex structures. This result allows us to encode non-intervened SCMs with convex spaces of probability measures. Next, using sheaf theory, we construct the network sheaf and cosheaf of causal knowledge. These structures enable the transfer of causal knowledge across the network while incorporating interventional consistency and the perspective of the subjects, ultimately leading to the formal, mathematical definition of relative causal knowledge.
Authors: Ruoxi Cheng, Haoxuan Ma, Weixin Wang, Zhiqiang Wang, Xiaoshuang Jia, Simeng Qin, Xiaochun Cao, Yang Liu, Xiaojun Jia
Abstract: Robust alignment is vital for safely deploying large language models (LLMs). Existing techniques are either reward-based -- training a reward model on preference pairs and optimizing with reinforcement learning (RL) -- or reward-free -- directly fine-tuning on ranked outputs. Recent research shows that well-tuned reward-based pipelines remain the most robust, and single-response demonstrations can outperform pairwise preference data. However, two key challenges remain: (i) imbalanced safety datasets that over-represent common hazards while neglecting long-tail threats; and (ii) static reward models that ignore task difficulty, limiting optimization efficiency and attainable gains. To address these limitations, we propose \textbf{DR-IRL}, which dynamically adjusts rewards through inverse reinforcement learning. We first construct a balanced safety dataset of seven harmful categories using Chain-of-Draft (CoD) template prompts, which reduce token usage and generation time compared to Chain-of-Thought (CoT). We then train category-specific reward models on this dataset via IRL. Finally, to align the LLM, we introduce \textbf{GRPO-S} (Group Relative Policy Optimization--Scaling), a variant of GRPO that scales the reward during optimization to task difficulty -- data-level hardness measured by CLIP similarity and model-level responsiveness measured by reward gaps. Extensive experiments on multiple benchmarks and LLMs demonstrate that DR-IRL outperforms all baselines in safety alignment while maintaining usefulness.
Authors: Patrick Diehl, Nojoud Nader, Maxim Moraru, Steven R. Brandt
Abstract: The rapid evolution of large language models (LLMs) has opened new possibilities for automating various tasks in software development. This paper evaluates the capabilities of the Llama 2-70B model in automating these tasks for scientific applications written in commonly used programming languages. Using representative test problems, we assess the model's capacity to generate code, documentation, and unit tests, as well as its ability to translate existing code between commonly used programming languages. Our comprehensive analysis evaluates the compilation, runtime behavior, and correctness of the generated and translated code. Additionally, we assess the quality of automatically generated code, documentation and unit tests. Our results indicate that while Llama 2-70B frequently generates syntactically correct and functional code for simpler numerical tasks, it encounters substantial difficulties with more complex, parallelized, or distributed computations, requiring considerable manual corrections. We identify key limitations and suggest areas for future improvements to better leverage AI-driven automation in scientific computing workflows.
Authors: Yijun Liu
Abstract: Recent advances in recommender systems have underscored the complementary strengths of generative modeling and pretrained language models. We propose HSTU-BLaIR, a hybrid framework that augments the Hierarchical Sequential Transduction Unit (HSTU)-based generative recommender with BLaIR, a lightweight contrastive text embedding model. This integration enriches item representations with semantic signals from textual metadata while preserving HSTU's powerful sequence modeling capabilities. We evaluate HSTU-BLaIR on two e-commerce datasets: three subsets from the Amazon Reviews 2023 dataset and the Steam dataset. We compare its performance against both the original HSTU-based recommender and a variant augmented with embeddings from OpenAI's state-of-the-art \texttt{text-embedding-3-large} model. Despite the latter being trained on a substantially larger corpus with significantly more parameters, our lightweight BLaIR-enhanced approach -- pretrained on domain-specific data -- achieves better performance in nearly all cases. Specifically, HSTU-BLaIR outperforms the OpenAI embedding-based variant on all but one metric, where it is marginally lower, and matches it on another. These findings highlight the effectiveness of contrastive text embeddings in compute-efficient recommendation settings.
Authors: Shayla Sharmin, Roghayeh Leila Barmaki
Abstract: This study estimates cognitive effort (CE) based on functional near-infrared spectroscopy (fNIRS) data and performance scores using a hybrid deep learning model. The estimation of CE enables educators to modify material to enhance learning effectiveness and student engagement. Relative neural efficiency (RNE) and relative neural involvement (RNI) are two metrics that have been used to represent CE. To estimate RNE and RNI we need hemodynamic response in the brain and the performance score of a task.We collected oxygenated hemoglobin ($\Delta \mathrm{HbO}$). Sixteen participants answered 16 questions in a unity-based educational game, each with a 30-second response time. We used deep learning models to predict the performance score and estimate RNE and RNI to understand CE. The study compares traditional machine learning techniques with deep learning models such as CNN, LSTM, BiLSTM, and a hybrid CNN-GRU to determine which approach provides better accuracy in predicting performance scores. The result shows that the hybrid CNN-GRU gives better performance with 78.36\% training accuracy and 73.08\% test accuracy than other models. We performed XGBoost on the extracted GRU feature and got the highest accuracy (69.23\%). This suggests that the features learned from this hybrid model generalize better even in traditional machine learning algorithms. We used the $\Delta \mathrm{HbO}$ and predicted score to calculate RNE and RNI to observe cognitive effort in our four test cases. Our result shows that even with moderate accuracy, the predicted RNE and RNI closely follows the actual trends. we also observed that when participants were in a state of high CE, introducing rest led decrease of CE. These findings can be helpful to design and improve learning environments and provide valuable insights in learning materials.
Authors: Michael A. Hedderich, Anyi Wang, Raoyuan Zhao, Florian Eichin, Jonas Fischer, Barbara Plank
Abstract: Prompt engineering for large language models is challenging, as even small prompt perturbations or model changes can significantly impact the generated output texts. Existing evaluation methods of LLM outputs, either automated metrics or human evaluation, have limitations, such as providing limited insights or being labor-intensive. We propose Spotlight, a new approach that combines both automation and human analysis. Based on data mining techniques, we automatically distinguish between random (decoding) variations and systematic differences in language model outputs. This process provides token patterns that describe the systematic differences and guide the user in manually analyzing the effects of their prompts and changes in models efficiently. We create three benchmarks to quantitatively test the reliability of token pattern extraction methods and demonstrate that our approach provides new insights into established prompt data. From a human-centric perspective, through demonstration studies and a user study, we show that our token pattern approach helps users understand the systematic differences of language model outputs. We are further able to discover relevant differences caused by prompt and model changes (e.g. related to gender or culture), thus supporting the prompt engineering process and human-centric model behavior research.
Authors: Simon Ging, Sebastian Walter, Jelena Bratuli\'c, Johannes Dienert, Hannah Bast, Thomas Brox
Abstract: Training high-quality CLIP models typically requires enormous datasets, which limits the development of domain-specific models -- especially in areas that even the largest CLIP models do not cover well -- and drives up training costs. This poses challenges for scientific research that needs fine-grained control over the training procedure of CLIP models. In this work, we show that by employing smart web search strategies enhanced with knowledge graphs, a robust CLIP model can be trained from scratch with considerably less data. Specifically, we demonstrate that an expert foundation model for living organisms can be built using just 10M images. Moreover, we introduce EntityNet, a dataset comprising 33M images paired with 46M text descriptions, which enables the training of a generic CLIP model in significantly reduced time.
Authors: Hanxun Huang, Sarah Erfani, Yige Li, Xingjun Ma, James Bailey
Abstract: As Contrastive Language-Image Pre-training (CLIP) models are increasingly adopted for diverse downstream tasks and integrated into large vision-language models (VLMs), their susceptibility to adversarial perturbations has emerged as a critical concern. In this work, we introduce \textbf{X-Transfer}, a novel attack method that exposes a universal adversarial vulnerability in CLIP. X-Transfer generates a Universal Adversarial Perturbation (UAP) capable of deceiving various CLIP encoders and downstream VLMs across different samples, tasks, and domains. We refer to this property as \textbf{super transferability}--a single perturbation achieving cross-data, cross-domain, cross-model, and cross-task adversarial transferability simultaneously. This is achieved through \textbf{surrogate scaling}, a key innovation of our approach. Unlike existing methods that rely on fixed surrogate models, which are computationally intensive to scale, X-Transfer employs an efficient surrogate scaling strategy that dynamically selects a small subset of suitable surrogates from a large search space. Extensive evaluations demonstrate that X-Transfer significantly outperforms previous state-of-the-art UAP methods, establishing a new benchmark for adversarial transferability across CLIP models. The code is publicly available in our \href{https://github.com/HanxunH/XTransferBench}{GitHub repository}.
Authors: Kourosh Shahnazari, Seyed Moein Ayyoubzadeh, Mohammadamin Fazli, Mohammadali Keshtparvar
Abstract: This study formalizes a computational model to simulate classical Persian poets' dynamics of influence through constructing a multi-dimensional similarity network. Using a rigorously curated dataset based on Ganjoor's corpus, we draw upon semantic, lexical, stylistic, thematic, and metrical features to demarcate each poet's corpus. Each is contained within weighted similarity matrices, which are then appended to generate an aggregate graph showing poet-to-poet influence. Further network investigation is carried out to identify key poets, style hubs, and bridging poets by calculating degree, closeness, betweenness, eigenvector, and Katz centrality measures. Further, for typological insight, we use the Louvain community detection algorithm to demarcate clusters of poets sharing both style and theme coherence, which correspond closely to acknowledged schools of literature like Sabk-e Hindi, Sabk-e Khorasani, and the Bazgasht-e Adabi phenomenon. Our findings provide a new data-driven view of Persian literature distinguished between canonical significance and interextual influence, thus highlighting relatively lesser-known figures who hold great structural significance. Combining computational linguistics with literary study, this paper produces an interpretable and scalable model for poetic tradition, enabling retrospective reflection as well as forward-looking research within digital humanities.
Authors: Takeshi Kojima, Yaonan Zhu, Yusuke Iwasawa, Toshinori Kitamura, Gang Yan, Shu Morikuni, Ryosuke Takanami, Alfredo Solano, Tatsuya Matsushima, Akiko Murakami, Yutaka Matsuo
Abstract: Recent Foundation Model-enabled robotics (FMRs) display greatly improved general-purpose skills, enabling more adaptable automation than conventional robotics. Their ability to handle diverse tasks thus creates new opportunities to replace human labor. However, unlike general foundation models, FMRs interact with the physical world, where their actions directly affect the safety of humans and surrounding objects, requiring careful deployment and control. Based on this proposition, our survey comprehensively summarizes robot control approaches to mitigate physical risks by covering all the lifespan of FMRs ranging from pre-deployment to post-accident stage. Specifically, we broadly divide the timeline into the following three phases: (1) pre-deployment phase, (2) pre-incident phase, and (3) post-incident phase. Throughout this survey, we find that there is much room to study (i) pre-incident risk mitigation strategies, (ii) research that assumes physical interaction with humans, and (iii) essential issues of foundation models themselves. We hope that this survey will be a milestone in providing a high-resolution analysis of the physical risks of FMRs and their control, contributing to the realization of a good human-robot relationship.
Authors: Kosmas Alexandridis, Vasileios Titopoulos, Giorgos Dimitrakopoulos
Abstract: Attention mechanisms, particularly within Transformer architectures and large language models (LLMs), have revolutionized sequence modeling in machine learning and artificial intelligence applications. To compute attention for increasingly long sequences, specialized accelerators have been proposed to execute key attention steps directly in hardware. Among the various recently proposed architectures, those based on variants of the FlashAttention algorithm, originally designed for GPUs, stand out due to their optimized computation, tiling capabilities, and reduced memory traffic. In this work, we focus on optimizing the kernel of floating-point-based FlashAttention using new hardware operators that fuse the computation of exponentials and vector multiplications, e.g., e^x, V. The proposed ExpMul hardware operators significantly reduce the area and power costs of FlashAttention-based hardware accelerators. When implemented in a 28nm ASIC technology, they achieve improvements of 28.8% in area and 17.6% in power, on average, compared to state-of-the-art hardware architectures with separate exponentials and vector multiplications hardware operators.
Authors: Xiaoyin Chen, Jiarui Lu, Minsu Kim, Dinghuai Zhang, Jian Tang, Alexandre Pich\'e, Nicolas Gontier, Yoshua Bengio, Ehsan Kamalloo
Abstract: Reinforcement learning (RL) has proven effective for fine-tuning large language models (LLMs), significantly enhancing their reasoning abilities in domains such as mathematics and code generation. A crucial factor influencing RL fine-tuning success is the training curriculum: the order in which training problems are presented. While random curricula serve as common baselines, they remain suboptimal; manually designed curricula often rely heavily on heuristics, and online filtering methods can be computationally prohibitive. To address these limitations, we propose Self-Evolving Curriculum (SEC), an automatic curriculum learning method that learns a curriculum policy concurrently with the RL fine-tuning process. Our approach formulates curriculum selection as a non-stationary Multi-Armed Bandit problem, treating each problem category (e.g., difficulty level or problem type) as an individual arm. We leverage the absolute advantage from policy gradient methods as a proxy measure for immediate learning gain. At each training step, the curriculum policy selects categories to maximize this reward signal and is updated using the TD(0) method. Across three distinct reasoning domains: planning, inductive reasoning, and mathematics, our experiments demonstrate that SEC significantly improves models' reasoning capabilities, enabling better generalization to harder, out-of-distribution test problems. Additionally, our approach achieves better skill balance when fine-tuning simultaneously on multiple reasoning domains. These findings highlight SEC as a promising strategy for RL fine-tuning of LLMs.
Authors: Sangyong Lee, Subo Hwang, Dohoon Kim
Abstract: In this paper, we propose MADCluster, a novel model-agnostic anomaly detection framework utilizing self-supervised clustering. MADCluster is applicable to various deep learning architectures and addresses the 'hypersphere collapse' problem inherent in existing deep learning-based anomaly detection methods. The core idea is to cluster normal pattern data into a 'single cluster' while simultaneously learning the cluster center and mapping data close to this center. Also, to improve expressiveness and enable effective single clustering, we propose a new 'One-directed Adaptive loss'. The optimization of this loss is mathematically proven. MADCluster consists of three main components: Base Embedder capturing high-dimensional temporal dynamics, Cluster Distance Mapping, and Sequence-wise Clustering for continuous center updates. Its model-agnostic characteristics are achieved by applying various architectures to the Base Embedder. Experiments on four time series benchmark datasets demonstrate that applying MADCluster improves the overall performance of comparative models. In conclusion, the compatibility of MADCluster shows potential for enhancing model performance across various architectures.
Authors: Jianwei Li, Jung-Eun Kim
Abstract: Recent studies on the safety alignment of large language models (LLMs) have revealed that existing approaches often operate superficially, leaving models vulnerable to various adversarial attacks. Despite their significance, these studies generally fail to offer actionable solutions beyond data augmentation for achieving more robust safety mechanisms. This paper identifies a fundamental cause of this superficiality: existing alignment approaches often presume that models can implicitly learn a safety-related reasoning task during the alignment process, enabling them to refuse harmful requests. However, the learned safety signals are often diluted by other competing objectives, leading models to struggle with drawing a firm safety-conscious decision boundary when confronted with adversarial attacks. Based on this observation, by explicitly introducing a safety-related binary classification task and integrating its signals with our attention and decoding strategies, we eliminate this ambiguity and allow models to respond more responsibly to malicious queries. We emphasize that, with less than 0.2x overhead cost, our approach enables LLMs to assess the safety of both the query and the previously generated tokens at each necessary generating step. Extensive experiments demonstrate that our method significantly improves the resilience of LLMs against various adversarial attacks, offering a promising pathway toward more robust generative AI systems.
Authors: Anjie Le, Henan Liu, Yue Wang, Zhenyu Liu, Rongkun Zhu, Taohan Weng, Jinze Yu, Boyang Wang, Yalun Wu, Kaiwen Yan, Quanlin Sun, Meirui Jiang, Jialun Pei, Siya Liu, Haoyun Zheng, Zhoujun Li, Alison Noble, Jacques Souquet, Xiaoqing Guo, Manxi Lin, Hongcheng Guo
Abstract: Ultrasound is a widely-used imaging modality critical to global healthcare, yet its interpretation remains challenging due to its varying image quality on operators, noises, and anatomical structures. Although large vision-language models (LVLMs) have demonstrated impressive multimodal capabilities across natural and medical domains, their performance on ultrasound remains largely unexplored. We introduce U2-BENCH, the first comprehensive benchmark to evaluate LVLMs on ultrasound understanding across classification, detection, regression, and text generation tasks. U2-BENCH aggregates 7,241 cases spanning 15 anatomical regions and defines 8 clinically inspired tasks, such as diagnosis, view recognition, lesion localization, clinical value estimation, and report generation, across 50 ultrasound application scenarios. We evaluate 20 state-of-the-art LVLMs, both open- and closed-source, general-purpose and medical-specific. Our results reveal strong performance on image-level classification, but persistent challenges in spatial reasoning and clinical language generation. U2-BENCH establishes a rigorous and unified testbed to assess and accelerate LVLM research in the uniquely multimodal domain of medical ultrasound imaging.
Authors: Anna Van Elst, Igor Colin, Stephan Cl\'emen\c{c}on
Abstract: This paper addresses the problem of robust estimation in gossip algorithms over arbitrary communication graphs. Gossip algorithms are fully decentralized, relying only on local neighbor-to-neighbor communication, making them well-suited for situations where communication is constrained. A fundamental challenge in existing mean-based gossip algorithms is their vulnerability to malicious or corrupted nodes. In this paper, we show that an outlier-robust mean can be computed by globally estimating a robust statistic. More specifically, we propose a novel gossip algorithm for rank estimation, referred to as \textsc{GoRank}, and leverage it to design a gossip procedure dedicated to trimmed mean estimation, coined \textsc{GoTrim}. In addition to a detailed description of the proposed methods, a key contribution of our work is a precise convergence analysis: we establish an $\mathcal{O}(1/t)$ rate for rank estimation and an $\mathcal{O}(\log(t)/t)$ rate for trimmed mean estimation, where by $t$ is meant the number of iterations. Moreover, we provide a breakdown point analysis of \textsc{GoTrim}. We empirically validate our theoretical results through experiments on diverse network topologies, data distributions and contamination schemes.
Authors: Xingyu Li, Qing Liu, Tony Jiang, Hong Amy Xia, Brian P. Hobbs, Peng Wei
Abstract: We propose a novel method, termed the M-learner, for estimating heterogeneous indirect and total treatment effects and identifying relevant subgroups within a mediation framework. The procedure comprises four key steps. First, we compute individual-level conditional average indirect/total treatment effect Second, we construct a distance matrix based on pairwise differences. Third, we apply tSNE to project this matrix into a low-dimensional Euclidean space, followed by K-means clustering to identify subgroup structures. Finally, we calibrate and refine the clusters using a threshold-based procedure to determine the optimal configuration. To the best of our knowledge, this is the first approach specifically designed to capture treatment effect heterogeneity in the presence of mediation. Experimental results validate the robustness and effectiveness of the proposed framework. Application to the real-world Jobs II dataset highlights the broad adaptability and potential applicability of our method.Code is available at https: //anonymous.4open.science/r/M-learner-C4BB.
Authors: Aida Kostikova, Zhipin Wang, Deidamea Bajri, Ole P\"utz, Benjamin Paa{\ss}en, Steffen Eger
Abstract: Large language model (LLM) research has grown rapidly, along with increasing concern about their limitations such as failures in reasoning, hallucinations, and limited multilingual capability. While prior reviews have addressed these issues, they often focus on individual limitations or consider them within the broader context of evaluating overall model performance. This survey addresses the gap by presenting a data-driven, semi-automated review of research on limitations of LLMs (LLLMs) from 2022 to 2025, using a bottom-up approach. From a corpus of 250,000 ACL and arXiv papers, we extract 14,648 relevant limitation papers using keyword filtering and LLM-based classification, validated against expert labels. Using topic clustering (via two approaches, HDBSCAN+BERTopic and LlooM), we identify between 7 and 15 prominent types of limitations discussed in recent LLM research across the ACL and arXiv datasets. We find that LLM-related research increases nearly sixfold in ACL and nearly fifteenfold in arXiv between 2022 and 2025, while LLLMs research grows even faster, by a factor of over 12 in ACL and nearly 28 in arXiv. Reasoning remains the most studied limitation, followed by generalization, hallucination, bias, and security. The distribution of topics in the ACL dataset stays relatively stable over time, while arXiv shifts toward safety and controllability (with topics like security risks, alignment, hallucinations, knowledge editing), and multimodality between 2022 and 2025. We offer a quantitative view of trends in LLM limitations research and release a dataset of annotated abstracts and a validated methodology, available at: https://github.com/a-kostikova/LLLMs-Survey.
Authors: Dongzhe Zheng, Wenjie Mei
Abstract: Learning unknown dynamics under environmental (or external) constraints is fundamental to many fields (e.g., modern robotics), particularly challenging when constraint information is only locally available and uncertain. Existing approaches requiring global constraints or using probabilistic filtering fail to fully exploit the geometric structure inherent in local measurements (by using, e.g., sensors) and constraints. This paper presents a geometric framework unifying measurements, constraints, and dynamics learning through a fiber bundle structure over the state space. This naturally induced geometric structure enables measurement-aware Control Barrier Functions that adapt to local sensing (or measurement) conditions. By integrating Neural ODEs, our framework learns continuous-time dynamics while preserving geometric constraints, with theoretical guarantees of learning convergence and constraint satisfaction dependent on sensing quality. The geometric framework not only enables efficient dynamics learning but also suggests promising directions for integration with reinforcement learning approaches. Extensive simulations demonstrate significant improvements in both learning efficiency and constraint satisfaction over traditional methods, especially under limited and uncertain sensing conditions.
Authors: Whenty Ariyanti, Kuan-Yu Chen, Sabato Marco Siniscalchi, Hsin-Min Wang, Yu Tsao
Abstract: Perceptual voice quality assessment is essential for diagnosing and monitoring voice disorders by providing standardized evaluations of vocal function. Traditionally, expert raters use standard scales such as the Consensus Auditory-Perceptual Evaluation of Voice (CAPE-V) and Grade, Roughness, Breathiness, Asthenia, and Strain (GRBAS). However, these metrics are subjective and prone to inter-rater variability, motivating the need for automated, objective assessment methods. This study proposes Voice Quality Assessment Network (VOQANet), a deep learning-based framework with an attention mechanism that leverages a Speech Foundation Model (SFM) to extract high-level acoustic and prosodic information from raw speech. To enhance robustness and interpretability, we also introduce VOQANet+, which integrates low-level speech descriptors such as jitter, shimmer, and harmonics-to-noise ratio (HNR) with SFM embeddings into a hybrid representation. Unlike prior studies focused only on vowel-based phonation (PVQD-A subset) of the Perceptual Voice Quality Dataset (PVQD), we evaluate our models on both vowel-based and sentence-level speech (PVQD-S subset) to improve generalizability. Results show that sentence-based input outperforms vowel-based input, especially at the patient level, underscoring the value of longer utterances for capturing perceptual voice attributes. VOQANet consistently surpasses baseline methods in root mean squared error (RMSE) and Pearson correlation coefficient (PCC) across CAPE-V and GRBAS dimensions, with VOQANet+ achieving even better performance. Additional experiments under noisy conditions show that VOQANet+ maintains high prediction accuracy and robustness, supporting its potential for real-world and telehealth deployment.
Authors: Palur Venkata Raghuvamsi, Siyuan Brandon Loh, Prasanta Bhattacharya, Joses Ho, Raphael Lee Tze Chuen, Alvin X. Han, Sebastian Maurer-Stroh
Abstract: The COVID-19 pandemic response relied heavily on statistical and machine learning models to predict key outcomes such as case prevalence and fatality rates. These predictions were instrumental in enabling timely public health interventions that helped break transmission cycles. While most existing models are grounded in traditional epidemiological data, the potential of alternative datasets, such as those derived from genomic information and human behavior, remains underexplored. In the current study, we investigated the usefulness of diverse modalities of feature sets in predicting case surges. Our results highlight the relative effectiveness of biological (e.g., mutations), public health (e.g., case counts, policy interventions) and human behavioral features (e.g., mobility and social media conversations) in predicting country-level case surges. Importantly, we uncover considerable heterogeneity in predictive performance across countries and feature modalities, suggesting that surge prediction models may need to be tailored to specific national contexts and pandemic phases. Overall, our work highlights the value of integrating alternative data sources into existing disease surveillance frameworks to enhance the prediction of pandemic dynamics.
Authors: Zhangyi Hu, Jiemin Wu, Hua Xu, Mingqian Liao, Ninghui Feng, Bo Gao, Songning Lai, Yutao Yue
Abstract: Irregular Multivariate Time Series (IMTS) forecasting is challenging due to the unaligned nature of multi-channel signals and the prevalence of extensive missing data. Existing methods struggle to capture reliable temporal patterns from such data due to significant missing values. While pre-trained foundation models show potential for addressing these challenges, they are typically designed for Regularly Sampled Time Series (RTS). Motivated by the visual Mask AutoEncoder's (MAE) powerful capability for modeling sparse multi-channel information and its success in RTS forecasting, we propose VIMTS, a framework adapting Visual MAE for IMTS forecasting. To mitigate the effect of missing values, VIMTS first processes IMTS along the timeline into feature patches at equal intervals. These patches are then complemented using learned cross-channel dependencies. Then it leverages visual MAE's capability in handling sparse multichannel data for patch reconstruction, followed by a coarse-to-fine technique to generate precise predictions from focused contexts. In addition, we integrate self-supervised learning for improved IMTS modeling by adapting the visual MAE to IMTS data. Extensive experiments demonstrate VIMTS's superior performance and few-shot capability, advancing the application of visual foundation models in more general time series tasks. Our code is available at https://github.com/WHU-HZY/VIMTS.
Authors: Xu Chu, Xinrong Chen, Guanyu Wang, Zhijie Tan, Kui Huang, Wenyu Lv, Tong Mo, Weiping Li
Abstract: Inference time scaling drives extended reasoning to enhance the performance of Vision-Language Models (VLMs), thus forming powerful Vision-Language Reasoning Models (VLRMs). However, long reasoning dilutes visual tokens, causing visual information to receive less attention and may trigger hallucinations. Although introducing text-only reflection processes shows promise in language models, we demonstrate that it is insufficient to suppress hallucinations in VLMs. To address this issue, we introduce Qwen-LookAgain (Qwen-LA), a novel VLRM designed to mitigate hallucinations by incorporating a vision-text reflection process that guides the model to re-attention visual information during reasoning. We first propose a reinforcement learning method Balanced Reflective Policy Optimization (BRPO), which guides the model to decide when to generate vision-text reflection on its own and balance the number and length of reflections. Then, we formally prove that VLRMs lose attention to visual tokens as reasoning progresses, and demonstrate that supplementing visual information during reflection enhances visual attention. Therefore, during training and inference, Visual Token COPY and Visual Token ROUTE are introduced to force the model to re-attention visual information at the visual level, addressing the limitations of text-only reflection. Experiments on multiple visual QA datasets and hallucination metrics indicate that Qwen-LA achieves leading accuracy performance while reducing hallucinations. Our code is available at: https://github.com/Liar406/Look_Again