Authors: Raphi Kang, Yue Song, Georgia Gkioxari, Pietro Perona
Abstract: Contrastive Language-Image Pre-Training (CLIP) is a popular method for learning multimodal latent spaces with well-organized semantics. Despite its wide range of applications, CLIP's latent space is known to fail at handling complex visual-textual interactions. Recent works attempt to address its shortcomings with data-centric or algorithmic approaches. But what if the problem is more fundamental, and lies in the geometry of CLIP? Toward this end, we rigorously analyze CLIP's latent space properties, and prove that no CLIP-like joint embedding space exists which can correctly do any two of the following at the same time: 1. represent basic descriptions and image content, 2. represent attribute binding, 3. represent spatial location and relationships, 4. represent negation. Informed by this analysis, we propose Dense Cosine Similarity Maps (DCSMs) as a principled and interpretable scoring method for CLIP-like models, which solves the fundamental limitations of CLIP by retaining the semantic topology of the image patches and text tokens. This method improves upon the performance of classical CLIP-like joint encoder models on a wide array of benchmarks. We share our code and data here for reproducibility: https://github.com/Raphoo/DCSM_Ideal_CLIP
Authors: Yubo Peng, Luping Xiang, Kun Yang, Feibo Jiang, Kezhi Wang, Dapeng Oliver Wu
Abstract: Traditional single-modality sensing faces limitations in accuracy and capability, and its decoupled implementation with communication systems increases latency in bandwidth-constrained environments. Additionally, single-task-oriented sensing systems fail to address users' diverse demands. To overcome these challenges, we propose a semantic-driven integrated multimodal sensing and communication (SIMAC) framework. This framework leverages a joint source-channel coding architecture to achieve simultaneous sensing decoding and transmission of sensing results. Specifically, SIMAC first introduces a multimodal semantic fusion (MSF) network, which employs two extractors to extract semantic information from radar signals and images, respectively. MSF then applies cross-attention mechanisms to fuse these unimodal features and generate multimodal semantic representations. Secondly, we present a large language model (LLM)-based semantic encoder (LSE), where relevant communication parameters and multimodal semantics are mapped into a unified latent space and input to the LLM, enabling channel-adaptive semantic encoding. Thirdly, a task-oriented sensing semantic decoder (SSD) is proposed, in which different decoded heads are designed according to the specific needs of tasks. Simultaneously, a multi-task learning strategy is introduced to train the SIMAC framework, achieving diverse sensing services. Finally, experimental simulations demonstrate that the proposed framework achieves diverse sensing services and higher accuracy.
Authors: Lucas Caccia, Alan Ansell, Edoardo Ponti, Ivan Vuli\'c, Alessandro Sordoni
Abstract: Dynamically integrating new or rapidly evolving information after (Large) Language Model pre-training remains challenging, particularly in low-data scenarios or when dealing with private and specialized documents. In-context learning and retrieval-augmented generation (RAG) face limitations, including their high inference costs and their inability to capture global document information. In this paper, we propose a way of modularizing knowledge by training document-level Knowledge Modules (KMs). KMs are lightweight components implemented as parameter-efficient LoRA modules, which are trained to store information about new documents and can be easily plugged into models on demand. We show that next-token prediction performs poorly as the training objective for KMs. We instead propose Deep Context Distillation: we learn KMs parameters such as to simulate hidden states and logits of a teacher that takes the document in context. Our method outperforms standard next-token prediction and pre-instruction training techniques, across two datasets. Finally, we highlight synergies between KMs and retrieval-augmented generation.
Authors: Shilong Sang, Ke-Jia Chen, Zheng liu
Abstract: Graph similarity learning (GSL), also referred to as graph matching in many scenarios, is a fundamental problem in computer vision, pattern recognition, and graph learning. However, previous GSL methods assume that graphs are homogeneous and struggle to maintain their performance on heterogeneous graphs. To address this problem, this paper proposes a Heterogeneous Graph Matching Network (HeGMN), which is an end-to-end graph similarity learning framework composed of a two-tier matching mechanism. Firstly, a heterogeneous graph isomorphism network is proposed as the encoder, which reinvents graph isomorphism network for heterogeneous graphs by perceiving different semantic relationships during aggregation. Secondly, a graph-level and node-level matching modules are designed, both employing type-aligned matching principles. The former conducts graph-level matching by node type alignment, and the latter computes the interactions between the cross-graph nodes with the same type thus reducing noise interference and computational overhead. Finally, the graph-level and node-level matching features are combined and fed into fully connected layers for predicting graph similarity scores. In experiments, we propose a heterogeneous graph resampling method to construct heterogeneous graph pairs and define the corresponding heterogeneous graph edit distance, filling the gap in missing datasets. Extensive experiments demonstrate that HeGMN consistently achieves advanced performance on graph similarity prediction across all datasets.
Authors: Andrzej Cichocki, Toshihisa Tanaka, Sergio Cruces
Abstract: In this paper we propose and investigate a wide class of Mirror Descent updates (MD) and associated novel Generalized Exponentiated Gradient (GEG) algorithms by exploiting various trace-form entropies and associated deformed logarithms and their inverses - deformed (generalized) exponential functions. The proposed algorithms can be considered as extension of entropic MD and generalization of multiplicative updates. In the literature, there exist nowadays over fifty mathematically well defined generalized entropies, so impossible to exploit all of them in one research paper. So we focus on a few selected most popular entropies and associated logarithms like the Tsallis, Kaniadakis and Sharma-Taneja-Mittal and some of their extension like Tempesta or Kaniadakis-Scarfone entropies. The shape and properties of the deformed logarithms and their inverses are tuned by one or more hyperparameters. By learning these hyperparameters, we can adapt to distribution of training data, which can be designed to the specific geometry of the optimization problem, leading to potentially faster convergence and better performance. The using generalized entropies and associated deformed logarithms in the Bregman divergence, used as a regularization term, provides some new insight into exponentiated gradient descent updates.
Authors: Wenyi Wu, Hao Zhang, Zhisen Wei, Xiao-Yuan Jing, Qinghua Zhang, Songsong Wu
Abstract: Source-free domain adaptation (SFDA) has been exploited for cross-domain bearing fault diagnosis without access to source data. Current methods select partial target samples with reliable pseudo-labels for model adaptation, which is sub-optimal due to the ignored target samples. We argue that every target sample can contribute to model adaptation, and accordingly propose in this paper a novel SFDA-based approach for bearing fault diagnosis that exploits both reliable and unreliable pseudo-labels. We develop a data-augmentation-based label voting strategy to divide the target samples into reliable and unreliable ones. We propose to explore the underlying relation between feature space and label space by using the reliable pseudo-labels as ground-truth labels, meanwhile, alleviating negative transfer by maximizing the entropy of the unreliable pseudo-labels. The proposed method achieves well-balance between discriminability and diversity by taking advantage of reliable and unreliable pseudo-labels. Extensive experiments are conducted on two bearing fault benchmarks, demonstrating that our approach achieves significant performance improvements against existing SFDA-based bearing fault diagnosis methods. Our code is available at https://github.com/BdLab405/SDALR.
Authors: Jingyi Zhao, Haoxiang Yang, Yang Liu
Abstract: The transition to electric vehicles (EVs) is critical to achieving sustainable transportation, but challenges such as limited driving range and insufficient charging infrastructure have hindered the widespread adoption of EVs, especially in time-sensitive logistics such as medical transportation. This paper presents a new model to break through this barrier by combining wireless mobile charging technology with optimization. We propose the Wireless Mobile Charging Electric Vehicle Routing Problem (WMC-EVRP), which enables Medical Transportation Electric Vehicles (MTEVs) to be charged while traveling via Mobile Charging Carts (MCTs). This eliminates the time wastage of stopping for charging and ensures uninterrupted operation of MTEVs for such time-sensitive transportation problems. However, in this problem, the decisions of these two types of heterogeneous vehicles are coupled with each other, which greatly increases the difficulty of vehicle routing optimizations. To address this complex problem, we develop a mathematical model and a tailored meta-heuristic algorithm that combines Bit Mask Dynamic Programming (BDP) and Large Neighborhood Search (LNS). The BDP approach efficiently optimizes charging strategies, while the LNS framework utilizes custom operators to optimize the MTEV routes under capacity and synchronization constraints. Our approach outperforms traditional solvers in providing solutions for medium and large instances. Using actual hospital locations in Singapore as data, we validated the practical applicability of the model through extensive experiments and provided important insights into minimizing costs and ensuring the timely delivery of healthcare services.
Authors: C J Arizmendi, W L Garcia, M A Quintero
Abstract: This work provide a model based on machine learning techniques in welds recognition, based on signals obtained through in-line inspection tool called smart pig in Oil and Gas pipelines . The model uses a signal noise reduction phase by means of preprocessing algorithms and attributeselection techniques. The noise reduction techniques were selected after a literature review and testing with survey data. Subsequently, the model was trained using recognition and classification algorithms, specifically artificial neural networks and support vector machines. Finally, the trained model was validated with different data sets and the performance was measured with cross validation and ROC analysis. The results show that is possible to identify welding automatically with an efficiency between 90 and 98 percent
Authors: Keyue Jiang, Bohan Tang, Xiaowen Dong, Laura Toni
Abstract: Inferring the graph structure from observed data is a key task in graph machine learning to capture the intrinsic relationship between data entities. While significant advancements have been made in learning the structure of homogeneous graphs, many real-world graphs exhibit heterogeneous patterns where nodes and edges have multiple types. This paper fills this gap by introducing the first approach for heterogeneous graph structure learning (HGSL). To this end, we first propose a novel statistical model for the data-generating process (DGP) of heterogeneous graph data, namely hidden Markov networks for heterogeneous graphs (H2MN). Then we formalize HGSL as a maximum a-posterior estimation problem parameterized by such DGP and derive an alternating optimization method to obtain a solution together with a theoretical justification of the optimization conditions. Finally, we conduct extensive experiments on both synthetic and real-world datasets to demonstrate that our proposed method excels in learning structure on heterogeneous graphs in terms of edge type identification and edge weight recovery.
Authors: Seongho Son, William Bankes, Sangwoong Yoon, Shyam Sundhar Ramesh, Xiaohang Tang, Ilija Bogunovic
Abstract: Test-time alignment of Large Language Models (LLMs) to human preferences offers a flexible way to generate responses aligned to diverse objectives without extensive retraining of LLMs. Existing methods achieve alignment to multiple objectives simultaneously (e.g., instruction-following, helpfulness, conciseness) by optimizing their corresponding reward functions. However, they often rely on predefined weights or optimize for averages, sacrificing one objective for another and leading to unbalanced outcomes. To address this, we introduce Robust Multi-Objective Decoding (RMOD), a novel inference-time algorithm that optimizes for improving worst-case rewards. RMOD formalizes the robust decoding problem as a maximin two-player game between reward weights and the sampling policy, solving for the Nash equilibrium. We show that the game reduces to a convex optimization problem to find the worst-case weights, while the best response policy can be computed analytically. We also introduce a practical RMOD variant designed for efficient decoding with contemporary LLMs, incurring minimal computational overhead compared to non-robust Multi-Objective Decoding (MOD) methods. Our experimental results showcase the effectiveness of RMOD in generating responses equitably aligned with diverse objectives, outperforming baselines up to 20%.
Authors: Zixuan Liang
Abstract: This paper presents novel methods for estimating certified radii in randomized smoothing, a technique crucial for certifying the robustness of neural networks against adversarial perturbations. Our proposed techniques significantly improve the accuracy of certified test-set accuracy by providing tighter bounds on the certified radii. We introduce advanced algorithms for both discrete and continuous domains, demonstrating their effectiveness on CIFAR-10 and ImageNet datasets. The new methods show considerable improvements over existing approaches, particularly in reducing discrepancies in certified radii estimates. We also explore the impact of various hyperparameters, including sample size, standard deviation, and temperature, on the performance of these methods. Our findings highlight the potential for more efficient certification processes and pave the way for future research on tighter confidence sequences and improved theoretical frameworks. The study concludes with a discussion of potential future directions, including enhanced estimation techniques for discrete domains and further theoretical advancements to bridge the gap between empirical and theoretical performance in randomized smoothing.
Authors: Ivan Saboli\'c, Matej Grci\'c, Sini\v{s}a \v{S}egvi\'c
Abstract: We propose VIBE, a model-agnostic framework that trains classifiers resilient to backdoor attacks. The key concept behind our approach is to treat malicious inputs and corrupted labels from the training dataset as observed random variables, while the actual clean labels are latent. VIBE then recovers the corresponding latent clean label posterior through variational inference. The resulting training procedure follows the expectation-maximization (EM) algorithm. The E-step infers the clean pseudolabels by solving an entropy-regularized optimal transport problem, while the M-step updates the classifier parameters via gradient descent. Being modular, VIBE can seamlessly integrate with recent advancements in self-supervised representation learning, which enhance its ability to resist backdoor attacks. We experimentally validate the method effectiveness against contemporary backdoor attacks on standard datasets, a large-scale setup with 1$k$ classes, and a dataset poisoned with multiple attacks. VIBE consistently outperforms previous defenses across all tested scenarios.
Authors: Abdullah Alchihabi, Hanping Zhang, Yuhong Guo
Abstract: Reinforcement Learning (RL) has demonstrated remarkable success in solving sequential decision-making problems. However, in real-world scenarios, RL agents often struggle to generalize when faced with unseen actions that were not encountered during training. Some previous works on zero-shot action generalization rely on large datasets of action observations to capture the behaviors of new actions, making them impractical for real-world applications. In this paper, we introduce a novel zero-shot framework, Action Generalization from Limited Observations (AGLO). Our framework has two main components: an action representation learning module and a policy learning module. The action representation learning module extracts discriminative embeddings of actions from limited observations, while the policy learning module leverages the learned action representations, along with augmented synthetic action representations, to learn a policy capable of handling tasks with unseen actions. The experimental results demonstrate that our framework significantly outperforms state-of-the-art methods for zero-shot action generalization across multiple benchmark tasks, showcasing its effectiveness in generalizing to new actions with minimal action observations.
Authors: Reza Mirzaeifard, Stefan Werner
Abstract: This paper presents a hierarchical federated learning (FL) framework that extends the alternating direction method of multipliers (ADMM) with smoothing techniques, tailored for non-convex and non-smooth objectives. Unlike traditional hierarchical FL methods, our approach supports asynchronous updates and multiple updates per iteration, enhancing adaptability to heterogeneous data and system settings. Additionally, we introduce a flexible mechanism to leverage diverse regularization functions at each layer, allowing customization to the specific prior information within each cluster and accommodating (possibly) non-smooth penalty objectives. Depending on the learning goal, the framework supports both consensus and personalization: the total variation norm can be used to enforce consensus across layers, while non-convex penalties such as minimax concave penalty (MCP) or smoothly clipped absolute deviation (SCAD) enable personalized learning. Experimental results demonstrate the superior convergence rates and accuracy of our method compared to conventional approaches, underscoring its robustness and versatility for a wide range of FL scenarios.
Authors: Rafael R. Oexner, Robin Schmitt, Hyunchan Ahn, Ravi A. Shah, Anna Zoccarato, Konstantinos Theofilatos, Ajay M. Shah
Abstract: Predictive modelling is vital to guide preventive efforts. Whilst large-scale prospective cohort studies and a diverse toolkit of available machine learning (ML) algorithms have facilitated such survival task efforts, choosing the best-performing algorithm remains challenging. Benchmarking studies to date focus on relatively small-scale datasets and it is unclear how well such findings translate to large datasets that combine omics and clinical features. We sought to benchmark eight distinct survival task implementations, ranging from linear to deep learning (DL) models, within the large-scale prospective cohort study UK Biobank (UKB). We compared discrimination and computational requirements across heterogenous predictor matrices and endpoints. Finally, we assessed how well different architectures scale with sample sizes ranging from n = 5,000 to n = 250,000 individuals. Our results show that discriminative performance across a multitude of metrices is dependent on endpoint frequency and predictor matrix properties, with very robust performance of (penalised) COX Proportional Hazards (COX-PH) models. Of note, there are certain scenarios which favour more complex frameworks, specifically if working with larger numbers of observations and relatively simple predictor matrices. The observed computational requirements were vastly different, and we provide solutions in cases where current implementations were impracticable. In conclusion, this work delineates how optimal model choice is dependent on a variety of factors, including sample size, endpoint frequency and predictor matrix properties, thus constituting an informative resource for researchers working on similar datasets. Furthermore, we showcase how linear models still display a highly effective and scalable platform to perform risk modelling at scale and suggest that those are reported alongside non-linear ML models.
Authors: Cameron Redovian
Abstract: We integrate a meta-reinforcement learning algorithm with the DreamerV3 architecture to improve load balancing in operating systems. This approach enables rapid adaptation to dynamic workloads with minimal retraining, outperforming the Advantage Actor-Critic (A2C) algorithm in standard and adaptive trials. It demonstrates robust resilience to catastrophic forgetting, maintaining high performance under varying workload distributions and sizes. These findings have important implications for optimizing resource management and performance in modern operating systems. By addressing the challenges posed by dynamic and heterogeneous workloads, our approach advances the adaptability and efficiency of reinforcement learning in real-world system management tasks.
Authors: Stefano Riva, Carolina Introini, J. Nathan Kutz, Antonio Cammi
Abstract: The recent developments in data-driven methods have paved the way to new methodologies to provide accurate state reconstruction of engineering systems; nuclear reactors represent particularly challenging applications for this task due to the complexity of the strongly coupled physics involved and the extremely harsh and hostile environments, especially for new technologies such as Generation-IV reactors. Data-driven techniques can combine different sources of information, including computational proxy models and local noisy measurements on the system, to robustly estimate the state. This work leverages the novel Shallow Recurrent Decoder architecture to infer the entire state vector (including neutron fluxes, precursors concentrations, temperature, pressure and velocity) of a reactor from three out-of-core time-series neutron flux measurements alone. In particular, this work extends the standard architecture to treat parametric time-series data, ensuring the possibility of investigating different accidental scenarios and showing the capabilities of this approach to provide an accurate state estimation in various operating conditions. This paper considers as a test case the Molten Salt Fast Reactor (MSFR), a Generation-IV reactor concept, characterised by strong coupling between the neutronics and the thermal hydraulics due to the liquid nature of the fuel. The promising results of this work are further strengthened by the possibility of quantifying the uncertainty associated with the state estimation, due to the considerably low training cost. The accurate reconstruction of every characteristic field in real-time makes this approach suitable for monitoring and control purposes in the framework of a reactor digital twin.
Authors: Carolina Introini, Stefano Riva, J. Nathan Kutz, Antonio Cammi
Abstract: The Shallow Recurrent Decoder networks are a novel paradigm recently introduced for state estimation, combining sparse observations with high-dimensional model data. This architecture features important advantages compared to standard data-driven methods including: the ability to use only three sensors (even randomly selected) for reconstructing the entire dynamics of a physical system; the ability to train on compressed data spanned by a reduced basis; the ability to measure a single field variable (easy to measure) and reconstruct coupled spatio-temporal fields that are not observable and minimal hyper-parameter tuning. This approach has been verified on different test cases within different fields including nuclear reactors, even though an application to a real experimental facility, adopting the employment of in-situ observed quantities, is missing. This work aims to fill this gap by applying the Shallow Recurrent Decoder architecture to the DYNASTY facility, built at Politecnico di Milano, which studies the natural circulation established by internally heated fluids for Generation IV applications, especially in the case of Circulating Fuel reactors. The RELAP5 code is used to generate the high-fidelity data, and temperature measurements extracted by the facility are used as input for the state estimation. The results of this work will provide a validation of the Shallow Recurrent Decoder architecture to engineering systems, showing the capabilities of this approach to provide and accurate state estimation.
Authors: Itay Yona, Ilia Shumailov, Jamie Hayes, Federico Barbero, Yossi Gandelsman
Abstract: Large Language Models (LLMs), despite their impressive capabilities, often fail to accurately repeat a single word when prompted to, and instead output unrelated text. This unexplained failure mode represents a vulnerability, allowing even end-users to diverge models away from their intended behavior. We aim to explain the causes for this phenomenon and link it to the concept of ``attention sinks'', an emergent LLM behavior crucial for fluency, in which the initial token receives disproportionately high attention scores. Our investigation identifies the neural circuit responsible for attention sinks and shows how long repetitions disrupt this circuit. We extend this finding to other non-repeating sequences that exhibit similar circuit disruptions. To address this, we propose a targeted patch that effectively resolves the issue without negatively impacting the model's overall performance. This study provides a mechanistic explanation for an LLM vulnerability, demonstrating how interpretability can diagnose and address issues, and offering insights that pave the way for more secure and reliable models.
Authors: Dandan Zhao, Hongpeng Yin, Jintang Bian, Han Zhou
Abstract: Traditional fault diagnosis methods struggle to handle fault data, with complex data characteristics such as high dimensions and large noise. Deep learning is a promising solution, which typically works well only when labeled fault data are available. To address these problems, a robust unsupervised fault diagnosis using machine learning is proposed in this paper. First, a special dimension reduction method for the high-dimensional fault data is designed. Second, the extracted features are enhanced by incorporating nonlinear information through the learning of a graph structure. Third, to alleviate the problem of reduced fault-diagnosis accuracy attributed to noise and outliers, $l_{2,1}$-norm and typicality-aware constraints are introduced from the perspective of model optimization, respectively. Finally, this paper provides comprehensive theoretical and experimental evidence supporting the effectiveness and robustness of the proposed method. The experiments on both the benchmark Tennessee-Eastman process and a real hot-steel milling process show that the proposed method exhibits better robustness compared to other methods, maintaining high diagnostic accuracy even in the presence of outliers or noise.
Authors: Ankur Singha, Elia Cellini, Kim A. Nicoli, Karl Jansen, Stefan K\"uhn, Shinichi Nakajima
Abstract: Investigating critical phenomena or phase transitions is of high interest in physics and chemistry, for which Monte Carlo (MC) simulations, a crucial tool for numerically analyzing macroscopic properties of given systems, are often hindered by an emerging divergence of correlation length -- known as scale invariance at criticality (SIC) in the renormalization group theory. SIC causes the system to behave the same at any length scale, from which many existing sampling methods suffer: long-range correlations cause critical slowing down in Markov chain Monte Carlo (MCMC), and require intractably large receptive fields for generative samplers. In this paper, we propose a Renormalization-informed Generative Critical Sampler (RiGCS) -- a novel sampler specialized for near-critical systems, where SIC is leveraged as an advantage rather than a nuisance. Specifically, RiGCS builds on MultiLevel Monte Carlo (MLMC) with Heat Bath (HB) algorithms, which perform ancestral sampling from low-resolution to high-resolution lattice configurations with site-wise-independent conditional HB sampling. Although MLMC-HB is highly efficient under exact SIC, it suffers from a low acceptance rate under slight SIC violation. Notably, SIC violation always occurs in finite-size systems, and may induce long-range and higher-order interactions in the renormalized distributions, which are not considered by independent HB samplers. RiGCS enhances MLMC-HB by replacing a part of the conditional HB sampler with generative models that capture those residual interactions and improve the sampling efficiency. Our experiments show that the effective sample size of RiGCS is a few orders of magnitude higher than state-of-the-art generative model baselines in sampling configurations for 128x128 two-dimensional Ising systems.
Authors: Anand Menon, Samit S Miftah, Shamik Kundu, Souvik Kundu, Amisha Srivastava, Arnab Raha, Gabriel Theodor Sonnenschein, Suvadeep Banerjee, Deepak Mathaikutty, Kanad Basu
Abstract: Hardware verification is crucial in modern SoC design, consuming around 70% of development time. SystemVerilog assertions ensure correct functionality. However, existing industrial practices rely on manual efforts for assertion generation, which becomes increasingly untenable as hardware systems become complex. Recent research shows that Large Language Models (LLMs) can automate this process. However, proprietary SOTA models like GPT-4o often generate inaccurate assertions and require expensive licenses, while smaller open-source LLMs need fine-tuning to manage HDL code complexities. To address these issues, we introduce **VERT**, an open-source dataset designed to enhance SystemVerilog assertion generation using LLMs. VERT enables researchers in academia and industry to fine-tune open-source models, outperforming larger proprietary ones in both accuracy and efficiency while ensuring data privacy through local fine-tuning and eliminating costly licenses. The dataset is curated by systematically augmenting variables from open-source HDL repositories to generate synthetic code snippets paired with corresponding assertions. Experimental results demonstrate that fine-tuned models like Deepseek Coder 6.7B and Llama 3.1 8B outperform GPT-4o, achieving up to 96.88% improvement over base models and 24.14% over GPT-4o on platforms including OpenTitan, CVA6, OpenPiton and Pulpissimo. VERT is available at https://github.com/AnandMenon12/VERT.
Authors: Zilong Deng, Simon Khan, Shaofeng Zou
Abstract: In this work, we study the sample complexity problem of risk-sensitive Reinforcement Learning (RL) with a generative model, where we aim to maximize the Conditional Value at Risk (CVaR) with risk tolerance level $\tau$ at each step, named Iterated CVaR. %We consider the sample complexity of obtaining an $\epsilon$-optimal policy in an infinite horizon discounted MDP, given access to a generative model. % We first build a connection between Iterated CVaR RL with $(s, a)$-rectangular distributional robust RL with the specific uncertainty set for CVaR. We develop nearly matching upper and lower bounds on the sample complexity for this problem. Specifically, we first prove that a value iteration-based algorithm, ICVaR-VI, achieves an $\epsilon$-optimal policy with at most $\tilde{{O}}\left(\frac{SA}{(1-\gamma)^4\tau^2\epsilon^2}\right)$ samples, where $\gamma$ is the discount factor, and $S, A$ are the sizes of the state and action spaces. Furthermore, if $\tau \geq \gamma$, then the sample complexity can be further improved to $\tilde{{O}}\left( \frac{SA}{(1-\gamma)^3\epsilon^2} \right)$. We further show a minimax lower bound of ${\tilde{{O}}}\left(\frac{(1-\gamma \tau)SA}{(1-\gamma)^4\tau\epsilon^2}\right)$. For a constant risk level $0<\tau\leq 1$, our upper and lower bounds match with each other, demonstrating the tightness and optimality of our analyses. We also investigate a limiting case with a small risk level $\tau$, called Worst-Path RL, where the objective is to maximize the minimum possible cumulative reward. We develop matching upper and lower bounds of $\tilde{{O}}\left(\frac{SA}{p_{\min}}\right)$, where $p_{\min}$ denotes the minimum non-zero reaching probability of the transition kernel.
Authors: Runlong Zhou, Maryam Fazel, Simon S. Du
Abstract: Reinforcement learning from human feedback (RLHF) has become essential for improving language model capabilities, but traditional approaches rely on the assumption that human preferences follow a transitive Bradley-Terry model. This assumption fails to capture the non-transitive nature of populational human preferences. Nash learning from human feedback (NLHF), targeting non-transitive preferences, is a problem of computing the Nash equilibrium (NE) of the two-player constant-sum game defined by the human preference. We introduce Extragradient preference optimization (EGPO), a novel algorithm for NLHF achieving last-iterate linear convergence to the NE of KL-regularized games and polynomial convergence to the NE of original games, while being robust to noise. Unlike previous approaches that rely on nested optimization, we derive an equivalent implementation using gradients of an online variant of the identity preference optimization (IPO) loss, enabling more faithful implementation for neural networks. Our empirical evaluations demonstrate EGPO's superior performance over baseline methods when training for the same number of epochs, as measured by pairwise win-rates using the ground truth preference. These results validate both the theoretical strengths and practical advantages of EGPO for language model alignment with non-transitive human preferences.
Authors: Abdolvahhab Rostamijavanani, Shanwu Li, Yongchao Yang
Abstract: To fully understand, analyze, and determine the behavior of dynamical systems, it is crucial to identify their intrinsic modal coordinates. In nonlinear dynamical systems, this task is challenging as the modal transformation based on the superposition principle that works well for linear systems is no longer applicable. To understand the nonlinear dynamics of a system, one of the main approaches is to use the framework of Nonlinear Normal Modes (NNMs) which attempts to provide an in-depth representation. In this research, we examine the effectiveness of NNMs in characterizing nonlinear dynamical systems. Given the difficulty of obtaining closed-form models or equations for these real-world systems, we present a data-driven framework that combines physics and deep learning to the nonlinear modal transformation function of NNMs from response data only. We assess the framework's ability to represent the system by analyzing its mode decomposition, reconstruction, and prediction accuracy using a nonlinear beam as an example. Initially, we perform numerical simulations on a nonlinear beam at different energy levels in both linear and nonlinear scenarios. Afterward, using experimental vibration data of a nonlinear beam, we isolate the first two NNMs. It is observed that the NNMs' frequency values increase as the excitation level of energy increases, and the configuration plots become more twisted (more nonlinear). In the experiment, the framework successfully decomposed the first two NNMs of the nonlinear beam using experimental free vibration data and captured the dynamics of the structure via prediction and reconstruction of some physical points of the beam.
Authors: William Chang, Yuanhao Lu
Abstract: Single-player contextual bandits are a well-studied problem in reinforcement learning that has seen applications in various fields such as advertising, healthcare, and finance. In light of the recent work on \emph{information asymmetric} bandits \cite{chang2022online, chang2023online}, we propose a novel multiplayer information asymmetric contextual bandit framework where there are multiple players each with their own set of actions. At every round, they observe the same context vectors and simultaneously take an action from their own set of actions, giving rise to a joint action. However, upon taking this action the players are subjected to information asymmetry in (1) actions and/or (2) rewards. We designed an algorithm \texttt{LinUCB} by modifying the classical single-player algorithm \texttt{LinUCB} in \cite{chu2011contextual} to achieve the optimal regret $O(\sqrt{T})$ when only one kind of asymmetry is present. We then propose a novel algorithm \texttt{ETC} that is built on explore-then-commit principles to achieve the same optimal regret when both types of asymmetry are present.
Authors: Idris Zakariyya, Ferheen Ayaz, Mounia Kharbouche-Harrari, Jeremy Singer, Sye Loong Keoh, Danilo Pau, Jos\'e Cano
Abstract: Reducing the memory footprint of Machine Learning (ML) models, especially Deep Neural Networks (DNNs), is imperative to facilitate their deployment on resource-constrained edge devices. However, a notable drawback of DNN models lies in their susceptibility to adversarial attacks, wherein minor input perturbations can deceive them. A primary challenge revolves around the development of accurate, resilient, and compact DNN models suitable for deployment on resource-constrained edge devices. This paper presents the outcomes of a compact DNN model that exhibits resilience against both black-box and white-box adversarial attacks. This work has achieved this resilience through training with the QKeras quantization-aware training framework. The study explores the potential of QKeras and an adversarial robustness technique, Jacobian Regularization (JR), to co-optimize the DNN architecture through per-layer JR methodology. As a result, this paper has devised a DNN model employing this co-optimization strategy based on Stochastic Ternary Quantization (STQ). Its performance was compared against existing DNN models in the face of various white-box and black-box attacks. The experimental findings revealed that, the proposed DNN model had small footprint and on average, it exhibited better performance than Quanos and DS-CNN MLCommons/TinyML (MLC/T) benchmarks when challenged with white-box and black-box attacks, respectively, on the CIFAR-10 image and Google Speech Commands audio datasets.
Authors: Zirui Gong, Yanjun Zhang, Leo Yu Zhang, Zhaoxi Zhang, Yong Xiang, Shirui Pan
Abstract: Federated Ranking Learning (FRL) is a state-of-the-art FL framework that stands out for its communication efficiency and resilience to poisoning attacks. It diverges from the traditional FL framework in two ways: 1) it leverages discrete rankings instead of gradient updates, significantly reducing communication costs and limiting the potential space for malicious updates, and 2) it uses majority voting on the server side to establish the global ranking, ensuring that individual updates have minimal influence since each client contributes only a single vote. These features enhance the system's scalability and position FRL as a promising paradigm for FL training. However, our analysis reveals that FRL is not inherently robust, as certain edges are particularly vulnerable to poisoning attacks. Through a theoretical investigation, we prove the existence of these vulnerable edges and establish a lower bound and an upper bound for identifying them in each layer. Based on this finding, we introduce a novel local model poisoning attack against FRL, namely the Vulnerable Edge Manipulation (VEM) attack. The VEM attack focuses on identifying and perturbing the most vulnerable edges in each layer and leveraging an optimization-based approach to maximize the attack's impact. Through extensive experiments on benchmark datasets, we demonstrate that our attack achieves an overall 53.23% attack impact and is 3.7x more impactful than existing methods. Our findings highlight significant vulnerabilities in ranking-based FL systems and underline the urgency for the development of new robust FL frameworks.
Authors: Yuhang Liu, Dong Gong, Erdun Gao, Zhen Zhang, Biwei Huang, Mingming Gong, Anton van den Hengel, Javen Qinfeng Shi
Abstract: The remarkable achievements of large language models (LLMs) have led many to conclude that they exhibit a form of intelligence. This is as opposed to explanations of their capabilities based on their ability to perform relatively simple manipulations of vast volumes of data. To illuminate the distinction between these explanations, we introduce a novel generative model that generates tokens on the basis of human interpretable concepts represented as latent discrete variables. Under mild conditions, even when the mapping from the latent space to the observed space is non-invertible, we establish an identifiability result: the representations learned by LLMs through next-token prediction can be approximately modeled as the logarithm of the posterior probabilities of these latent discrete concepts, up to an invertible linear transformation. This theoretical finding not only provides evidence that LLMs capture underlying generative factors, but also strongly reinforces the linear representation hypothesis, which posits that LLMs learn linear representations of human-interpretable concepts. Empirically, we validate our theoretical results through evaluations on both simulation data and the Pythia, Llama, and DeepSeek model families.
Authors: Wei Ruan, Tianze Yang, Yifan Zhou, Tianming Liu, Jin Lu
Abstract: Model merging has achieved significant success, with numerous innovative methods proposed to enhance capabilities by combining multiple models. However, challenges persist due to the lack of a unified framework for classification and systematic comparative analysis, leading to inconsistencies in terminologies and categorizations. Meanwhile, as an increasing number of fine-tuned models are publicly available, their original training data often remain inaccessible due to privacy concerns or intellectual property restrictions. This makes traditional multi-task learning based on shared training data impractical. In scenarios where direct access to training data is infeasible, merging model parameters to create a unified model with broad generalization across multiple domains becomes crucial, further underscoring the importance of model merging techniques. Despite the rapid progress in this field, a comprehensive taxonomy and survey summarizing recent advances and predicting future directions are still lacking. This paper addresses these gaps by establishing a new taxonomy of model merging methods, systematically comparing different approaches, and providing an overview of key developments. By offering a structured perspective on this evolving area, we aim to help newcomers quickly grasp the field's landscape and inspire further innovations.
Authors: Huidong Liang, Haitz S\'aez de Oc\'ariz Borde, Baskaran Sripathmanathan, Michael Bronstein, Xiaowen Dong
Abstract: Long-range dependencies are critical for effective graph representation learning, yet most existing datasets focus on small graphs tailored to inductive tasks, offering limited insight into long-range interactions. Current evaluations primarily compare models employing global attention (e.g., graph transformers) with those using local neighborhood aggregation (e.g., message-passing neural networks) without a direct measurement of long-range dependency. In this work, we introduce City-Networks, a novel large-scale transductive learning dataset derived from real-world city roads. This dataset features graphs with over $10^5$ nodes and significantly larger diameters than those in existing benchmarks, naturally embodying long-range information. We annotate the graphs using an eccentricity-based approach, ensuring that the classification task inherently requires information from distant nodes. Furthermore, we propose a model-agnostic measurement based on the Jacobians of neighbors from distant hops, offering a principled quantification of long-range dependencies. Finally, we provide theoretical justifications for both our dataset design and the proposed measurement - particularly by focusing on over-smoothing and influence score dilution - which establishes a robust foundation for further exploration of long-range interactions in graph neural networks.
Authors: Kazuhiro Matsuyama, Usman Anjum, Satoko Matsuyama, Tetsuo Shoda, Justin Zhan
Abstract: Knowledge distillation is a technique to imitate a performance that a deep learning model has, but reduce the size on another model. It applies the outputs of a model to train another model having comparable accuracy. These two distinct models are similar to the way information is delivered in human society, with one acting as the "teacher" and the other as the "student". Softmax plays a role in comparing logits generated by models with each other by converting probability distributions. It delivers the logits of a teacher to a student with compression through a parameter named temperature. Tuning this variable reinforces the distillation performance. Although only this parameter helps with the interaction of logits, it is not clear how temperatures promote information transfer. In this paper, we propose a novel approach to calculate the temperature. Our method only refers to the maximum logit generated by a teacher model, which reduces computational time against state-of-the-art methods. Our method shows a promising result in different student and teacher models on a standard benchmark dataset. Algorithms using temperature can obtain the improvement by plugging in this dynamic approach. Furthermore, the approximation of the distillation process converges to a correlation of logits by both models. This reinforces the previous argument that the distillation conveys the relevance of logits. We report that this approximating algorithm yields a higher temperature compared to the commonly used static values in testing.
Authors: Younwoo Choi, Muhammad Adil Asif, Ziwen Han, John Willes, Rahul G. Krishnan
Abstract: Prompting Large Language Models (LLMs), or providing context on the expected model of operation, is an effective way to steer the outputs of such models to satisfy human desiderata after they have been trained. But in rapidly evolving domains, there is often need to fine-tune LLMs to improve either the kind of knowledge in their memory or their abilities to perform open ended reasoning in new domains. When human's learn new concepts, we often do so by linking the new material that we are studying to concepts we have already learned before. To that end, we ask, "can prompting help us teach LLMs how to learn". In this work, we study a novel generalization of instruction tuning, called contextual fine-tuning, to fine-tune LLMs. Our method leverages instructional prompts designed to mimic human cognitive strategies in learning and problem-solving to guide the learning process during training, aiming to improve the model's interpretation and understanding of domain-specific knowledge. We empirically demonstrate that this simple yet effective modification improves the ability of LLMs to be fine-tuned rapidly on new datasets both within the medical and financial domains.
Authors: Xuewen Dong, Jiachen Li, Shujun Li, Zhichao You, Qiang Qu, Yaroslav Kholodov, Yulong Shen
Abstract: Recent studies show that graph neural networks (GNNs) are vulnerable to backdoor attacks. Existing backdoor attacks against GNNs use fixed-pattern triggers and lack reasonable trigger constraints, overlooking individual graph characteristics and rendering insufficient evasiveness. To tackle the above issues, we propose ABARC, the first Adaptive Backdoor Attack with Reasonable Constraints, applying to both graph-level and node-level tasks in GNNs. For graph-level tasks, we propose a subgraph backdoor attack independent of the graph's topology. It dynamically selects trigger nodes for each target graph and modifies node features with constraints based on graph similarity, feature range, and feature type. For node-level tasks, our attack begins with an analysis of node features, followed by selecting and modifying trigger features, which are then constrained by node similarity, feature range, and feature type. Furthermore, an adaptive edge-pruning mechanism is designed to reduce the impact of neighbors on target nodes, ensuring a high attack success rate (ASR). Experimental results show that even with reasonable constraints for attack evasiveness, our attack achieves a high ASR while incurring a marginal clean accuracy drop (CAD). When combined with the state-of-the-art defense randomized smoothing (RS) method, our attack maintains an ASR over 94%, surpassing existing attacks by more than 7%.
Authors: Shengyao Lu, Jiuding Yang, Baochun Li, Di Niu
Abstract: The growing demand for transparency and interpretability in critical domains has driven increased interests in comprehending the explainability of Message-Passing (MP) Graph Neural Networks (GNNs). Although substantial research efforts have been made to generate explanations for individual graph instances, identifying global explaining concepts for a GNN still poses great challenges, especially when concepts are desired in a graphical form on the dataset level. While most prior works treat GNNs as black boxes, in this paper, we propose to unbox GNNs by analyzing and extracting critical subtrees incurred by the inner workings of message passing, which correspond to critical subgraphs in the datasets. By aggregating subtrees in an embedding space with an efficient algorithm, which does not require complex subgraph matching or search, we can make intuitive graphical explanations for Message-Passing GNNs on local, class and global levels. We empirically show that our proposed approach not only generates clean subgraph concepts on a dataset level in contrast to existing global explaining methods which generate non-graphical rules (e.g., language or embeddings) as explanations, but it is also capable of providing explanations for individual instances with a comparable or even superior performance as compared to leading local-level GNN explainers.
Authors: Byeongchan Lee, Sehyun Lee
Abstract: In self-supervised representation learning, Siamese networks are a natural architecture for learning transformation-invariance by bringing representations of positive pairs closer together. But it is prone to collapse into a degenerate solution. To address the issue, in contrastive learning, a contrastive loss is used to prevent collapse by moving representations of negative pairs away from each other. But it is known that algorithms with negative sampling are not robust to a reduction in the number of negative samples. So, on the other hand, there are algorithms that do not use negative pairs. Many positive-only algorithms adopt asymmetric network architecture consisting of source and target encoders as a key factor in coping with collapse. By exploiting the asymmetric architecture, we introduce a methodology to implicitly incorporate the idea of contrastive learning. As its implementation, we present a novel method guided stop-gradient. We apply our method to benchmark algorithms SimSiam and BYOL and show that our method stabilizes training and boosts performance. We also show that the algorithms with our method work well with small batch sizes and do not collapse even when there is no predictor. The code is available at https://github.com/bych-lee/gsg.
Authors: Xin Wei Chia, Jonathan Pan
Abstract: Large Language Models (LLMs) have demonstrated remarkable capabilities across various tasks, yet they remain vulnerable to adversarial manipulations such as jailbreaking via prompt injection attacks. These attacks bypass safety mechanisms to generate restricted or harmful content. In this study, we investigated the underlying latent subspaces of safe and jailbroken states by extracting hidden activations from a LLM. Inspired by attractor dynamics in neuroscience, we hypothesized that LLM activations settle into semi stable states that can be identified and perturbed to induce state transitions. Using dimensionality reduction techniques, we projected activations from safe and jailbroken responses to reveal latent subspaces in lower dimensional spaces. We then derived a perturbation vector that when applied to safe representations, shifted the model towards a jailbreak state. Our results demonstrate that this causal intervention results in statistically significant jailbreak responses in a subset of prompts. Next, we probed how these perturbations propagate through the model's layers, testing whether the induced state change remains localized or cascades throughout the network. Our findings indicate that targeted perturbations induced distinct shifts in activations and model responses. Our approach paves the way for potential proactive defenses, shifting from traditional guardrail based methods to preemptive, model agnostic techniques that neutralize adversarial states at the representation level.
Authors: Youngju Joung, Sehyun Lee, Jaesik Choi
Abstract: To improve trust and transparency, it is crucial to be able to interpret the decisions of Deep Neural classifiers (DNNs). Instance-level examinations, such as attribution techniques, are commonly employed to interpret the model decisions. However, when interpreting misclassified decisions, human intervention may be required. Analyzing the attribu tions across each class within one instance can be particularly labor intensive and influenced by the bias of the human interpreter. In this paper, we present a novel framework to uncover the weakness of the classifier via counterfactual examples. A prober is introduced to learn the correctness of the classifier's decision in terms of binary code-hit or miss. It enables the creation of the counterfactual example concerning the prober's decision. We test the performance of our prober's misclassification detection and verify its effectiveness on the image classification benchmark datasets. Furthermore, by generating counterfactuals that penetrate the prober, we demonstrate that our framework effectively identifies vulnerabilities in the target classifier without relying on label information on the MNIST dataset.
Authors: Chengyue Gong, Xiaoyu Li, Yingyu Liang, Jiangxuan Long, Zhenmei Shi, Zhao Song, Yu Tian
Abstract: Flow matching has emerged as a powerful framework for generative modeling, offering computational advantages over diffusion models by leveraging deterministic Ordinary Differential Equations (ODEs) instead of stochastic dynamics. While prior work established the worst case optimality of standard flow matching under Wasserstein distances, the theoretical guarantees for higher-order flow matching - which incorporates acceleration terms to refine sample trajectories - remain unexplored. In this paper, we bridge this gap by proving that higher-order flow matching preserves worst case optimality as a distribution estimator. We derive upper bounds on the estimation error for second-order flow matching, demonstrating that the convergence rates depend polynomially on the smoothness of the target distribution (quantified via Besov spaces) and key parameters of the ODE dynamics. Our analysis employs neural network approximations with carefully controlled depth, width, and sparsity to bound acceleration errors across both small and large time intervals, ultimately unifying these results into a general worst case optimal bound for all time steps.
Authors: Mohammad Tariqul Islam, Jason W. Fleischer
Abstract: Uniform manifold approximation and projection (UMAP) is among the most popular neighbor embedding methods. The method relies on attractive and repulsive forces among high-dimensional data points to obtain a low-dimensional embedding. In this paper, we analyze the forces to reveal their effects on cluster formations and visualization. Repulsion emphasizes differences, controlling cluster boundaries and inter-cluster distance. Attraction is more subtle, as attractive tension between points can manifest simultaneously as attraction and repulsion in the lower-dimensional mapping. This explains the need for learning rate annealing and motivates the different treatments between attractive and repulsive terms. Moreover, by modifying attraction, we improve the consistency of cluster formation under random initialization. Overall, our analysis makes UMAP and similar embedding methods more interpretable, more robust, and more accurate.
Authors: Yonas Tefera, Quinten Van Baelen, Maarten Meire, Stijn Luca, Peter Karsmakers
Abstract: This paper presents a constraint-guided deep learning framework for developing physically consistent health indicators in bearing prognostics and health management. Conventional data-driven methods often lack physical plausibility, while physics-based models are limited by incomplete system knowledge. To address this, we integrate domain knowledge into deep learning using constraints to enforce monotonicity, bound output values between 1 and 0 (representing healthy to failed states), and ensure consistency between signal energy trends and health indicator estimates. This eliminates the need for complex loss term balancing. We implement constraint-guided gradient descent within an autoencoder architecture, creating a constrained autoencoder. However, the framework is adaptable to other architectures. Using time-frequency representations of accelerometer signals from the Pronostia dataset, our constrained model generates smoother, more reliable degradation profiles compared to conventional methods, aligning with expected physical behavior. Performance is assessed using three metrics: trendability, robustness, and consistency. Compared to a conventional baseline, the constrained model improves all three. Another baseline, incorporating monotonicity via a soft-ranking loss function, outperforms in trendability but falls short in robustness and consistency. An ablation study confirms that the monotonicity constraint enhances trendability, the boundary constraint ensures consistency, and the energy-health consistency constraint improves robustness. These findings highlight the effectiveness of constraint-guided deep learning in producing reliable, physically meaningful health indicators, offering a promising direction for future prognostic applications.
Authors: Maximilian Abstreiter, Sasu Tarkoma, Roberto Morabito
Abstract: The rapid rise of Language Models (LMs) has expanded the capabilities of natural language processing, powering applications from text generation to complex decision-making. While state-of-the-art LMs often boast hundreds of billions of parameters and are primarily deployed in data centers, recent trends show a growing focus on compact models-typically under 10 billion parameters-enabled by techniques such as quantization and other model compression techniques. This shift paves the way for LMs on edge devices, offering potential benefits such as enhanced privacy, reduced latency, and improved data sovereignty. However, the inherent complexity of even these smaller models, combined with the limited computing resources of edge hardware, raises critical questions about the practical trade-offs in executing LM inference outside the cloud. To address these challenges, we present a comprehensive evaluation of generative LM inference on representative CPU-based and GPU-accelerated edge devices. Our study measures key performance indicators-including memory usage, inference speed, and energy consumption-across various device configurations. Additionally, we examine throughput-energy trade-offs, cost considerations, and usability, alongside an assessment of qualitative model performance. While quantization helps mitigate memory overhead, it does not fully eliminate resource bottlenecks, especially for larger models. Our findings quantify the memory and energy constraints that must be considered for practical real-world deployments, offering concrete insights into the trade-offs between model size, inference performance, and efficiency. The exploration of LMs at the edge is still in its early stages. We hope this study provides a foundation for future research, guiding the refinement of models, the enhancement of inference efficiency, and the advancement of edge-centric AI systems.
Authors: Yunjie Fang, Sheng Wu, Tao Yang, Xiaofeng Wu, Bo Hu
Abstract: Federated learning (FL) facilitates collaborative model training among multiple clients while preserving data privacy, often resulting in enhanced performance compared to models trained by individual clients. However, factors such as communication frequency and data distribution can contribute to feature drift, hindering the attainment of optimal training performance. This paper examine the relationship between model update drift and global as well as local optimizer from causal perspective. The influence of the global optimizer on feature drift primarily arises from the participation frequency of certain clients in server updates, whereas the effect of the local optimizer is typically associated with imbalanced data distributions.To mitigate this drift, we propose a novel framework termed Causal drift-Aware Federated lEarning (CAFE). CAFE exploits the causal relationship between feature-invariant components and classification outcomes to independently calibrate local client sample features and classifiers during the training phase. In the inference phase, it eliminated the drifts in the global model that favor frequently communicating clients.Experimental results demonstrate that CAFE's integration of feature calibration, parameter calibration, and historical information effectively reduces both drift towards majority classes and tendencies toward frequently communicating nodes.
Authors: Yue Wang, Qizhou Wang, Feng Liu, Wei Huang, Yali Du, Xiaojiang Du, Bo Han
Abstract: Large language model (LLM) unlearning has demonstrated its essential role in removing privacy and copyright-related responses, crucial for their legal and safe applications. However, the pursuit of complete unlearning often comes with substantial costs due to its compromises in their general functionality, leading to a notorious trade-off between unlearning and retention. In examining the update process for unlearning dynamically, we find gradients hold essential information for revealing this trade-off. In particular, we look at the varying relationship between retention performance and directional disparities between gradients during unlearning. It motivates the sculpting of an update mechanism derived from gradients from two sources, i.e., harmful for retention and useful for unlearning. Accordingly, we propose Gradient Rectified Unlearning (GRU), an enhanced unlearning framework controlling the updating gradients in a geometry-focused and optimization-driven manner such that their side impacts on other, unrelated responses can be minimized. Specifically, GRU derives a closed-form solution to project the unlearning gradient onto the orthogonal space of that gradient harmful for retention, ensuring minimal deviation from its original direction under the condition that overall performance is retained. Comprehensive experiments are conducted to demonstrate that GRU, as a general framework, is straightforward to implement and efficiently enhances a range of baseline methods through its adaptable and compatible characteristics. Additionally, experimental results show its broad effectiveness across a diverse set of benchmarks for LLM unlearning.
Authors: Taesun Yeom, Jaeho Lee
Abstract: Weight space learning is an emerging paradigm in the deep learning community. The primary goal of weight space learning is to extract informative features from a set of parameters using specially designed neural networks, often referred to as \emph{metanetworks}. However, it remains unclear how these metanetworks learn solely from parameters. To address this, we take the first step toward understanding \emph{representations} of metanetworks, specifically graph metanetworks (GMNs), which achieve state-of-the-art results in this field, using centered kernel alignment (CKA). Through various experiments, we reveal that GMNs and general neural networks (\textit{e.g.,} multi-layer perceptrons (MLPs) and convolutional neural networks (CNNs)) differ in terms of their representation space.
Authors: Jin Li, Ziqiang He, Anwei Luo, Jian-Fang Hu, Z. Jane Wang, Xiangui Kang
Abstract: Imperceptible adversarial attacks aim to fool DNNs by adding imperceptible perturbation to the input data. Previous methods typically improve the imperceptibility of attacks by integrating common attack paradigms with specifically designed perception-based losses or the capabilities of generative models. In this paper, we propose Adversarial Attacks in Diffusion (AdvAD), a novel modeling framework distinct from existing attack paradigms. AdvAD innovatively conceptualizes attacking as a non-parametric diffusion process by theoretically exploring basic modeling approach rather than using the denoising or generation abilities of regular diffusion models requiring neural networks. At each step, much subtler yet effective adversarial guidance is crafted using only the attacked model without any additional network, which gradually leads the end of diffusion process from the original image to a desired imperceptible adversarial example. Grounded in a solid theoretical foundation of the proposed non-parametric diffusion process, AdvAD achieves high attack efficacy and imperceptibility with intrinsically lower overall perturbation strength. Additionally, an enhanced version AdvAD-X is proposed to evaluate the extreme of our novel framework under an ideal scenario. Extensive experiments demonstrate the effectiveness of the proposed AdvAD and AdvAD-X. Compared with state-of-the-art imperceptible attacks, AdvAD achieves an average of 99.9$\%$ (+17.3$\%$) ASR with 1.34 (-0.97) $l_2$ distance, 49.74 (+4.76) PSNR and 0.9971 (+0.0043) SSIM against four prevalent DNNs with three different architectures on the ImageNet-compatible dataset. Code is available at https://github.com/XianguiKang/AdvAD.
Authors: Fengze Sun, Yanchuan Chang, Egemen Tanin, Shanika Karunasekera, Jianzhong Qi
Abstract: The increasing availability of urban data offers new opportunities for learning region representations, which can be used as input to machine learning models for downstream tasks such as check-in or crime prediction. While existing solutions have produced promising results, an issue is their fixed formation of regions and fixed input region features, which may not suit the needs of different downstream tasks. To address this limitation, we propose a model named FlexiReg for urban region representation learning that is flexible with both the formation of urban regions and the input region features. FlexiReg is based on a spatial grid partitioning over the spatial area of interest. It learns representations for the grid cells, leveraging publicly accessible data, including POI, land use, satellite imagery, and street view imagery. We propose adaptive aggregation to fuse the cell representations and prompt learning techniques to tailor the representations towards different tasks, addressing the needs of varying formations of urban regions and downstream tasks. Extensive experiments on five real-world datasets demonstrate that FlexiReg outperforms state-of-the-art models by up to 202% in term of the accuracy of four diverse downstream tasks using the produced urban region representations.
Authors: David P. Hofmeyr
Abstract: A novel formulation of the clustering problem is introduced in which the task is expressed as an estimation problem, where the object to be estimated is a function which maps a point to its distribution of cluster membership. Unlike existing approaches which implicitly estimate such a function, like Gaussian Mixture Models (GMMs), the proposed approach bypasses any explicit modelling assumptions and exploits the flexible estimation potential of nonparametric smoothing. An intuitive approach for selecting the tuning parameters governing estimation is provided, which allows the proposed method to automatically determine both an appropriate level of flexibility and also the number of clusters to extract from a given data set. Experiments on a large collection of publicly available data sets are used to document the strong performance of the proposed approach, in comparison with relevant benchmarks from the literature. R code to implement the proposed approach is available from https://github.com/DavidHofmeyr/ CNS
Authors: Yubo Yang, Tao Yang, Xiaofeng Wu, Ziyu Guo, Bo Hu
Abstract: UAV swarms are widely used in emergency communications, area monitoring, and disaster relief. Coordinated by control centers, they are ideal for federated learning (FL) frameworks. However, current UAV-assisted FL methods primarily focus on single tasks, overlooking the need for multi-task training. In disaster relief scenarios, UAVs perform tasks such as crowd detection, road feasibility analysis, and disaster assessment, which exhibit time-varying demands and potential correlations. In order to meet the time-varying requirements of tasks and complete multiple tasks efficiently under resource constraints, in this paper, we propose a UAV swarm based multi-task FL framework, where ground emergency vehicles (EVs) collaborate with UAVs to accomplish multiple tasks efficiently under constrained energy and bandwidth resources. Through theoretical analysis, we identify key factors affecting task performance and introduce a task attention mechanism to dynamically evaluate task importance, thereby achieving efficient resource allocation. Additionally, we propose a task affinity (TA) metric to capture the dynamic correlation among tasks, thereby promoting task knowledge sharing to accelerate training and improve the generalization ability of the model in different scenarios. To optimize resource allocation, we formulate a two-layer optimization problem to jointly optimize UAV transmission power, computation frequency, bandwidth allocation, and UAV-EV associations. For the inner problem, we derive closed-form solutions for transmission power, computation frequency, and bandwidth allocation and apply a block coordinate descent method for optimization. For the outer problem, a two-stage algorithm is designed to determine optimal UAV-EV associations. Furthermore, theoretical analysis reveals a trade-off between UAV energy consumption and multi-task performance.
Authors: Andrej Tschalzev, Lennart Purucker, Stefan L\"udtke, Frank Hutter, Christian Bartelt, Heiner Stuckenschmidt
Abstract: Data repositories have accumulated a large number of tabular datasets from various domains. Machine Learning researchers are actively using these datasets to evaluate novel approaches. Consequently, data repositories have an important standing in tabular data research. They not only host datasets but also provide information on how to use them in supervised learning tasks. In this paper, we argue that, despite great achievements in usability, the unreflected usage of datasets from data repositories may have led to reduced research quality and scientific rigor. We present examples from prominent recent studies that illustrate the problematic use of datasets from OpenML, a large data repository for tabular data. Our illustrations help users of data repositories avoid falling into the traps of (1) using suboptimal model selection strategies, (2) overlooking strong baselines, and (3) inappropriate preprocessing. In response, we discuss possible solutions for how data repositories can prevent the inappropriate use of datasets and become the cornerstones for improved overall quality of empirical research studies.
Authors: Aman Prakash, Nikumani Choudhury, Anakhi Hazarika, Alekhya Gorrela
Abstract: LoRaWAN is a low-power long-range protocol that enables reliable and robust communication. This paper addresses the challenge of predicting the spreading factor (SF) in LoRaWAN networks using machine learning (ML) techniques. Optimal SF allocation is crucial for optimizing data transmission in IoT-enabled mobile devices, yet it remains a challenging task due to the fluctuation in environment and network conditions. We evaluated ML model performance across a large publicly available dataset to explore the best feature across key LoRaWAN features such as RSSI, SNR, frequency, distance between end devices and gateways, and antenna height of the end device, further, we also experimented with 31 different combinations possible for 5 features. We trained and evaluated the model using k-nearest neighbors (k-NN), Decision Tree Classifier (DTC), Random Forest (RF), and Multinomial Logistic Regression (MLR) algorithms. The combination of RSSI and SNR was identified as the best feature set. The finding of this paper provides valuable information for reducing the overall cost of dataset collection for ML model training and extending the battery life of LoRaWAN devices. This work contributes to a more reliable LoRaWAN system by understanding the importance of specific feature sets for optimized SF allocation.
Authors: Katsumi Takahashi, Koh Takeuchi, Hisashi Kashima
Abstract: Machine learning models usually assume that a set of feature values used to obtain an output is fixed in advance. However, in many real-world problems, a cost is associated with measuring these features. To address the issue of reducing measurement costs, various methods have been proposed to dynamically select which features to measure, but existing methods assume that the set of measurable features remains constant, which makes them unsuitable for cases where the set of measurable features varies from instance to instance. To overcome this limitation, we define a new problem setting for Dynamic Feature Selection (DFS) with variable feature sets and propose a deep learning method that utilizes prior information about each feature, referred to as ''features of features''. Experimental results on several datasets demonstrate that the proposed method effectively selects features based on the prior information, even when the set of measurable features changes from instance to instance.
Authors: Chuanyin Wang, Yifei Zhang, Neng Gao, Qiang Luo
Abstract: Personalized federated learning is extensively utilized in scenarios characterized by data heterogeneity, facilitating more efficient and automated local training on data-owning terminals. This includes the automated selection of high-performance model parameters for upload, thereby enhancing the overall training process. However, it entails significant risks of privacy leakage. Existing studies have attempted to mitigate these risks by utilizing differential privacy. Nevertheless, these studies present two major limitations: (1) The integration of differential privacy into personalized federated learning lacks sufficient personalization, leading to the introduction of excessive noise into the model. (2) It fails to adequately control the spatial scope of model update information, resulting in a suboptimal balance between data privacy and model effectiveness in differential privacy federated learning. In this paper, we propose a differentially private personalized federated learning approach that employs dynamically sparsified client updates through reparameterization and adaptive norm(DP-pFedDSU). Reparameterization training effectively selects personalized client update information, thereby reducing the quantity of updates. This approach minimizes the introduction of noise to the greatest extent possible. Additionally, dynamic adaptive norm refers to controlling the norm space of model updates during the training process, mitigating the negative impact of clipping on the update information. These strategies substantially enhance the effective integration of differential privacy and personalized federated learning. Experimental results on EMNIST, CIFAR-10, and CIFAR-100 demonstrate that our proposed scheme achieves superior performance and is well-suited for more complex personalized federated learning scenarios.
Authors: Giovanni Bocchi, Patrizio Frosini, Alessandra Micheletti, Alessandro Pedretti, Carmen Gratteri, Filippo Lunghini, Andrea Rosario Beccari, Carmine Talarico
Abstract: Group Equivariant Non-Expansive Operators (GENEOs) have emerged as mathematical tools for constructing networks for Machine Learning and Artificial Intelligence. Recent findings suggest that such models can be inserted within the domain of eXplainable Artificial Intelligence (XAI) due to their inherent interpretability. In this study, we aim to verify this claim with respect to GENEOnet, a GENEO network developed for an application in computational biochemistry by employing various statistical analyses and experiments. Such experiments first allow us to perform a sensitivity analysis on GENEOnet's parameters to test their significance. Subsequently, we show that GENEOnet exhibits a significantly higher proportion of equivariance compared to other methods. Lastly, we demonstrate that GENEOnet is on average robust to perturbations arising from molecular dynamics. These results collectively serve as proof of the explainability, trustworthiness, and robustness of GENEOnet and confirm the beneficial use of GENEOs in the context of Trustworthy Artificial Intelligence.
Authors: Lei Liu, Yuchao Lu, Ling An, Huajie Liang, Chichun Zhou, Zhenyu Zhang
Abstract: As human activities intensify, environmental systems such as aquatic ecosystems and water treatment systems face increasingly complex pressures, impacting ecological balance, public health, and sustainable development, making intelligent anomaly monitoring essential. However, traditional monitoring methods suffer from delayed responses, insufficient data processing capabilities, and weak generalisation, making them unsuitable for complex environmental monitoring needs.In recent years, machine learning has been widely applied to anomaly detection, but the multi-dimensional features and spatiotemporal dynamics of environmental ecological data, especially the long-term dependencies and strong variability in the time dimension, limit the effectiveness of traditional methods.Deep learning, with its ability to automatically learn features, captures complex nonlinear relationships, improving detection performance. However, its application in environmental monitoring is still in its early stages and requires further exploration.This paper introduces a new deep learning method, Time-EAPCR (Time-Embedding-Attention-Permutated CNN-Residual), and applies it to environmental science. The method uncovers feature correlations, captures temporal evolution patterns, and enables precise anomaly detection in environmental systems.We validated Time-EAPCR's high accuracy and robustness across four publicly available environmental datasets. Experimental results show that the method efficiently handles multi-source data, improves detection accuracy, and excels across various scenarios with strong adaptability and generalisation. Additionally, a real-world river monitoring dataset confirmed the feasibility of its deployment, providing reliable technical support for environmental monitoring.
Authors: Xiuwen Fang, Mang Ye, Bo Du
Abstract: This paper studies a challenging robust federated learning task with model heterogeneous and data corrupted clients, where the clients have different local model structures. Data corruption is unavoidable due to factors such as random noise, compression artifacts, or environmental conditions in real-world deployment, drastically crippling the entire federated system. To address these issues, this paper introduces a novel Robust Asymmetric Heterogeneous Federated Learning (RAHFL) framework. We propose a Diversity-enhanced supervised Contrastive Learning technique to enhance the resilience and adaptability of local models on various data corruption patterns. Its basic idea is to utilize complex augmented samples obtained by the mixed-data augmentation strategy for supervised contrastive learning, thereby enhancing the ability of the model to learn robust and diverse feature representations. Furthermore, we design an Asymmetric Heterogeneous Federated Learning strategy to resist corrupt feedback from external clients. The strategy allows clients to perform selective one-way learning during collaborative learning phase, enabling clients to refrain from incorporating lower-quality information from less robust or underperforming collaborators. Extensive experimental results demonstrate the effectiveness and robustness of our approach in diverse, challenging federated learning environments. Our code and models are public available at https://github.com/FangXiuwen/RAHFL.
Authors: Marius Jahrens, Thomas Martinetz
Abstract: This paper elucidates that current state-of-the-art Large Language Models (LLMs) are fundamentally incapable of making decisions or developing "thoughts" within the feature space due to their architectural constraints. We establish a definition of "thought" that encompasses traditional understandings of that term and adapt it for application to LLMs. We demonstrate that the architectural design and language modeling training methodology of contemporary LLMs inherently preclude them from engaging in genuine thought processes. Our primary focus is on this theoretical realization rather than practical insights derived from experimental data. Finally, we propose solutions to enable thought processes within the feature space and discuss the broader implications of these architectural modifications.
Authors: Yigang Chen, Xiang Ji, Ziyue Zhang, Yuming Zhou, Yang-Chi-Dung Lin, Hsi-Yuan Huang, Tao Zhang, Yi Lai, Ke Chen, Chang Su, Xingqiao Lin, Zihao Zhu, Yanggyi Zhang, Kangping Wei, Jiehui Fu, Yixian Huang, Shidong Cui, Shih-Chung Yen, Ariel Warshel, Hsien-Da Huang
Abstract: Deep learning-based drug-target interaction (DTI) prediction methods have demonstrated strong performance; however, real-world applicability remains constrained by limited data diversity and modeling complexity. To address these challenges, we propose SCOPE-DTI, a unified framework combining a large-scale, balanced semi-inductive human DTI dataset with advanced deep learning modeling. Constructed from 13 public repositories, the SCOPE dataset expands data volume by up to 100-fold compared to common benchmarks such as the Human dataset. The SCOPE model integrates three-dimensional protein and compound representations, graph neural networks, and bilinear attention mechanisms to effectively capture cross domain interaction patterns, significantly outperforming state-of-the-art methods across various DTI prediction tasks. Additionally, SCOPE-DTI provides a user-friendly interface and database. We further validate its effectiveness by experimentally identifying anticancer targets of Ginsenoside Rh1. By offering comprehensive data, advanced modeling, and accessible tools, SCOPE-DTI accelerates drug discovery research.
Authors: Qiang Li, Jin Niu, Qin Luo, Lina Yu
Abstract: In the context of global urbanization and motorization, traffic congestion has become a significant issue, severely affecting the quality of life, environment, and economy. This paper puts forward a single-agent reinforcement learning (RL)-based regional traffic signal control (TSC) model. Different from multi - agent systems, this model can coordinate traffic signals across a large area, with the goals of alleviating regional traffic congestion and minimizing the total travel time. The TSC environment is precisely defined through specific state space, action space, and reward functions. The state space consists of the current congestion state, which is represented by the queue lengths of each link, and the current signal phase scheme of intersections. The action space is designed to select an intersection first and then adjust its phase split. Two reward functions are meticulously crafted. One focuses on alleviating congestion and the other aims to minimize the total travel time while considering the congestion level. The experiments are carried out with the SUMO traffic simulation software. The performance of the TSC model is evaluated by comparing it with a base case where no signal-timing adjustments are made. The results show that the model can effectively control congestion. For example, the queuing length is significantly reduced in the scenarios tested. Moreover, when the reward is set to both alleviate congestion and minimize the total travel time, the average travel time is remarkably decreased, which indicates that the model can effectively improve traffic conditions. This research provides a new approach for large-scale regional traffic signal control and offers valuable insights for future urban traffic management.
Authors: Wei He, Shangzhi Zhang, Chun-Guang Li, Xianbiao Qi, Rong Xiao, Jun Guo
Abstract: Spectral clustering, as a popular tool for data clustering, requires an eigen-decomposition step on a given affinity to obtain the spectral embedding. Nevertheless, such a step suffers from the lack of generalizability and scalability. Moreover, the obtained spectral embeddings can hardly provide a good approximation to the ground-truth partition and thus a k-means step is adopted to quantize the embedding. In this paper, we propose a simple yet effective scalable and generalizable approach, called Neural Normalized Cut (NeuNcut), to learn the clustering membership for spectral clustering directly. In NeuNcut, we properly reparameterize the unknown cluster membership via a neural network, and train the neural network via stochastic gradient descent with a properly relaxed normalized cut loss. As a result, our NeuNcut enjoys a desired generalization ability to directly infer clustering membership for out-of-sample unseen data and hence brings us an efficient way to handle clustering task with ultra large-scale data. We conduct extensive experiments on both synthetic data and benchmark datasets and experimental results validate the effectiveness and the superiority of our approach. Our code is available at: https://github.com/hewei98/NeuNcut.
Authors: Martin Tappler, Ignacio D. Lopez-Miguel, Sebastian Tschiatschek, Ezio Bartocci
Abstract: We consider the challenging problem of using domain knowledge to improve deep reinforcement learning policies. To this end, we propose LEGIBLE, a novel approach, following a multi-step process, which starts by mining rules from a deep RL policy, constituting a partially symbolic representation. These rules describe which decisions the RL policy makes and which it avoids making. In the second step, we generalize the mined rules using domain knowledge expressed as metamorphic relations. We adapt these relations from software testing to RL to specify expected changes of actions in response to changes in observations. The third step is evaluating generalized rules to determine which generalizations improve performance when enforced. These improvements show weaknesses in the policy, where it has not learned the general rules and thus can be improved by rule guidance. LEGIBLE supported by metamorphic relations provides a principled way of expressing and enforcing domain knowledge about RL environments. We show the efficacy of our approach by demonstrating that it effectively finds weaknesses, accompanied by explanations of these weaknesses, in eleven RL environments and by showcasing that guiding policy execution with rules improves performance w.r.t. gained reward.
Authors: Mohammad Siavashi, Faezeh Keshmiri Dindarloo, Dejan Kostic, Marco Chiesa
Abstract: Large Language Models have revolutionized natural language processing, yet serving them efficiently in data centers remains challenging due to mixed workloads comprising latency-sensitive (LS) and best-effort (BE) jobs. Existing inference systems employ iteration-level first-come-first-served scheduling, causing head-of-line blocking when BE jobs delay LS jobs. We introduce QLLM, a novel inference system designed for Mixture of Experts (MoE) models, featuring a fine-grained, priority-aware preemptive scheduler. QLLM enables expert-level preemption, deferring BE job execution while minimizing LS time-to-first-token (TTFT). Our approach removes iteration-level scheduling constraints, enabling the scheduler to preempt jobs at any layer based on priority. Evaluations on an Nvidia A100 GPU show that QLLM significantly improves performance. It reduces LS TTFT by an average of $65.5\times$ and meets the SLO at up to $7$ requests/sec, whereas the baseline fails to do so under the tested workload. Additionally, it cuts LS turnaround time by up to $12.8\times$ without impacting throughput. QLLM is modular, extensible, and seamlessly integrates with Hugging Face MoE models.
Authors: Leo Widmer, Jiawei Huang, Niao He
Abstract: Incentive design is a popular framework for guiding agents' learning dynamics towards desired outcomes by providing additional payments beyond intrinsic rewards. However, most existing works focus on a finite, small set of agents or assume complete knowledge of the game, limiting their applicability to real-world scenarios involving large populations and model uncertainty. To address this gap, we study the design of steering rewards in Mean-Field Games (MFGs) with density-independent transitions, where both the transition dynamics and intrinsic reward functions are unknown. This setting presents non-trivial challenges, as the mediator must incentivize the agents to explore for its model learning under uncertainty, while simultaneously steer them to converge to desired behaviors without incurring excessive incentive payments. Assuming agents exhibit no(-adaptive) regret behaviors, we contribute novel optimistic exploration algorithms. Theoretically, we establish sub-linear regret guarantees for the cumulative gaps between the agents' behaviors and the desired ones. In terms of the steering cost, we demonstrate that our total incentive payments incur only sub-linear excess, competing with a baseline steering strategy that stabilizes the target policy as an equilibrium. Our work presents an effective framework for steering agents behaviors in large-population systems under uncertainty.
Authors: Fynn Bachmann, Daan van der Weijden, Lucien Heitz, Cristina Sarasua, Abraham Bernstein
Abstract: Adaptive questionnaires dynamically select the next question for a survey participant based on their previous answers. Due to digitalisation, they have become a viable alternative to traditional surveys in application areas such as political science. One limitation, however, is their dependency on data to train the model for question selection. Often, such training data (i.e., user interactions) are unavailable a priori. To address this problem, we (i) test whether Large Language Models (LLM) can accurately generate such interaction data and (ii) explore if these synthetic data can be used to pre-train the statistical model of an adaptive political survey. To evaluate this approach, we utilise existing data from the Swiss Voting Advice Application (VAA) Smartvote in two ways: First, we compare the distribution of LLM-generated synthetic data to the real distribution to assess its similarity. Second, we compare the performance of an adaptive questionnaire that is randomly initialised with one pre-trained on synthetic data to assess their suitability for training. We benchmark these results against an "oracle" questionnaire with perfect prior knowledge. We find that an off-the-shelf LLM (GPT-4) accurately generates answers to the Smartvote questionnaire from the perspective of different Swiss parties. Furthermore, we demonstrate that initialising the statistical model with synthetic data can (i) significantly reduce the error in predicting user responses and (ii) increase the candidate recommendation accuracy of the VAA. Our work emphasises the considerable potential of LLMs to create training data to improve the data collection process in adaptive questionnaires in LLM-affine areas such as political surveys.
Authors: Yihong Huang
Abstract: Deep models in industrial applications rely on thousands of features for accurate predictions, such as deep recommendation systems. While new features are introduced to capture evolving user behavior, outdated or redundant features often remain, significantly increasing storage and computational costs. To address this issue, feature selection methods are widely adopted to identify and remove less important features. However, existing approaches face two major challenges: (1) they often require complex Hyperparameter (Hp) tuning, making them difficult to employ in practice, and (2) they fail to produce well-separated feature importance scores, which complicates straightforward feature removal. Moreover, the impact of removing unimportant features can only be evaluated through retraining the model, a time-consuming and resource-intensive process that severely hinders efficient feature selection. To solve these challenges, we propose a novel feature selection approach, Shuffle-Gate. In particular, it shuffles all feature values across instances simultaneously and uses a gating mechanism that allows the model to dynamically learn the weights for combining the original and shuffled inputs. Notably, it can generate well-separated feature importance scores and estimate the performance without retraining the model, while introducing only a single Hp. Experiments on four public datasets show that our approach outperforms state-of-the-art methods in selecting the top half of the feature set for model retraining. Moreover, it has been successfully integrated into the daily iteration of Bilibili's search models across various scenarios, where it significantly reduces feature set size and computational resource usage, while maintaining comparable performance.
Authors: Hannes Waclawek, Stefan Huber
Abstract: This work explores an extension of ML-optimized piecewise polynomial approximation by incorporating energy optimization as an additional objective. Traditional closed-form solutions enable continuity and approximation targets but lack flexibility in accommodating complex optimization goals. By leveraging modern gradient descent optimizers within TensorFlow, we introduce a framework that minimizes total curvature in cam profiles, leading to smoother motion and reduced energy consumption for input data that is unfavorable for sole approximation and continuity optimization. Experimental results confirm the effectiveness of this approach, demonstrating its potential to improve efficiency in scenarios where input data is noisy or suboptimal for conventional methods.
Authors: Thomas De Min, Subhankar Roy, St\'ephane Lathuili\`ere, Elisa Ricci, Massimiliano Mancini
Abstract: Machine unlearning is an emerging paradigm to remove the influence of specific training data (i.e., the forget set) from a model while preserving its knowledge of the rest of the data (i.e., the retain set). Previous approaches assume the forget data to be uniformly distributed from all training datapoints. However, if the data to unlearn is dominant in one group, we empirically show that performance for this group degrades, leading to fairness issues. This work tackles the overlooked problem of non-uniformly distributed forget sets, which we call group-robust machine unlearning, by presenting a simple, effective strategy that mitigates the performance loss in dominant groups via sample distribution reweighting. Moreover, we present MIU (Mutual Information-aware Machine Unlearning), the first approach for group robustness in approximate machine unlearning. MIU minimizes the mutual information between model features and group information, achieving unlearning while reducing performance degradation in the dominant group of the forget set. Additionally, MIU exploits sample distribution reweighting and mutual information calibration with the original model to preserve group robustness. We conduct experiments on three datasets and show that MIU outperforms standard methods, achieving unlearning without compromising model robustness. Source code available at https://github.com/tdemin16/group-robust_machine_unlearning.
URLs: https://github.com/tdemin16/group-robust_machine_unlearning.
Authors: Ruifeng She, Bowen Pang, Kai Li, Zehua Liu, Tao Zhong
Abstract: As the artificial intelligence community advances into the era of large models with billions of parameters, distributed training and inference have become essential. While various parallelism strategies-data, model, sequence, and pipeline-have been successfully implemented for popular neural networks on main-stream hardware, optimizing the distributed deployment schedule requires extensive expertise and manual effort. Further more, while existing frameworks with most simple chain-like structures, they struggle with complex non-linear architectures. Mixture-of-experts and multi-modal models feature intricate MIMO and branch-rich topologies that require fine-grained operator-level parallelization beyond the capabilities of existing frameworks. We propose formulating parallelism planning as a scheduling optimization problem using mixed-integer programming. We propose a bi-level solution framework balancing optimality with computational efficiency, automatically generating effective distributed plans that capture both the heterogeneous structure of modern neural networks and the underlying hardware constraints. In experiments comparing against expert-designed strategies like DeepSeek's DualPipe, our framework achieves comparable or superior performance, reducing computational bubbles by half under the same memory constraints. The framework's versatility extends beyond throughput optimization to incorporate hardware utilization maximization, memory capacity constraints, and other considerations or potential strategies. Such capabilities position our solution as both a valuable research tool for exploring optimal parallelization strategies and a practical industrial solution for large-scale AI deployment.
Authors: Yuxiang Wang, Wenqi Fan, Suhang Wang, Yao Ma
Abstract: In recent years, Graph Foundation Models (GFMs) have gained significant attention for their potential to generalize across diverse graph domains and tasks. Some works focus on Domain-Specific GFMs, which are designed to address a variety of tasks within a specific domain, while others aim to create General-Purpose GFMs that extend the capabilities of domain-specific models to multiple domains. Regardless of the type, transferability is crucial for applying GFMs across different domains and tasks. However, achieving strong transferability is a major challenge due to the structural, feature, and distributional variations in graph data. To date, there has been no systematic research examining and analyzing GFMs from the perspective of transferability. To bridge the gap, we present the first comprehensive taxonomy that categorizes and analyzes existing GFMs through the lens of transferability, structuring GFMs around their application scope (domain-specific vs. general-purpose) and their approaches to knowledge acquisition and transfer. We provide a structured perspective on current progress and identify potential pathways for advancing GFM generalization across diverse graph datasets and tasks. We aims to shed light on the current landscape of GFMs and inspire future research directions in GFM development.
Authors: Arthur da Cunha, Mikael M{\o}ller H{\o}gsgaard, Andrea Paudice, Yuxin Sun
Abstract: Boosting is a key method in statistical learning, allowing for converting weak learners into strong ones. While well studied in the realizable case, the statistical properties of weak-to-strong learning remains less understood in the agnostic setting, where there are no assumptions on the distribution of the labels. In this work, we propose a new agnostic boosting algorithm with substantially improved sample complexity compared to prior works under very general assumptions. Our approach is based on a reduction to the realizable case, followed by a margin-based filtering step to select high-quality hypotheses. We conjecture that the error rate achieved by our proposed method is optimal up to logarithmic factors.
Authors: Clemens Damke, Eyke H\"ullermeier
Abstract: Quantification learning is the task of predicting the label distribution of a set of instances. We study this problem in the context of graph-structured data, where the instances are vertices. Previously, this problem has only been addressed via node clustering methods. In this paper, we extend the popular Adjusted Classify & Count (ACC) method to graphs. We show that the prior probability shift assumption upon which ACC relies is often not fulfilled and propose two novel graph quantification techniques: Structural importance sampling (SIS) makes ACC applicable in graph domains with covariate shift. Neighborhood-aware ACC improves quantification in the presence of non-homophilic edges. We show the effectiveness of our techniques on multiple graph quantification tasks.
Authors: Amit Attia, Tomer Koren
Abstract: The learning rate in stochastic gradient methods is a critical hyperparameter that is notoriously costly to tune via standard grid search, especially for training modern large-scale models with billions of parameters. We identify a theoretical advantage of learning rate annealing schemes that decay the learning rate to zero at a polynomial rate, such as the widely-used cosine schedule, by demonstrating their increased robustness to initial parameter misspecification due to a coarse grid search. We present an analysis in a stochastic convex optimization setup demonstrating that the convergence rate of stochastic gradient descent with annealed schedules depends sublinearly on the multiplicative misspecification factor $\rho$ (i.e., the grid resolution), achieving a rate of $O(\rho^{1/(2p+1)}/\sqrt{T})$ where $p$ is the degree of polynomial decay and $T$ is the number of steps, in contrast to the $O(\rho/\sqrt{T})$ rate that arises with fixed stepsizes and exhibits a linear dependence on $\rho$. Experiments confirm the increased robustness compared to tuning with a fixed stepsize, that has significant implications for the computational overhead of hyperparameter search in practical training scenarios.
Authors: Kangsoo Jung, Sayan Biswas, Catuscia Palamidessi
Abstract: Federated Learning (FL) has emerged as a promising paradigm for collaborative model training without the need to share clients' personal data, thereby preserving privacy. However, the non-IID nature of the clients' data introduces major challenges for FL, highlighting the importance of personalized federated learning (PFL) methods. In PFL, models are trained to cater to specific feature distributions present in the population data. A notable method for PFL is the Iterative Federated Clustering Algorithm (IFCA), which mitigates the concerns associated with the non-IID-ness by grouping clients with similar data distributions. While it has been shown that IFCA enhances both accuracy and fairness, its strategy of dividing the population into smaller clusters increases vulnerability to Membership Inference Attacks (MIA), particularly among minorities with limited training samples. In this paper, we introduce IFCA-MIR, an improved version of IFCA that integrates MIA risk assessment into the clustering process. Allowing clients to select clusters based on both model performance and MIA vulnerability, IFCA-MIR achieves an improved performance with respect to accuracy, fairness, and privacy. We demonstrate that IFCA-MIR significantly reduces MIA risk while maintaining comparable model accuracy and fairness as the original IFCA.
Authors: Gledson Rodrigo Tondo, Igor Kavrakov, Guido Morgenthal
Abstract: Knowledge of the force time history of a structure is essential to assess its behaviour, ensure safety and maintain reliability. However, direct measurement of external forces is often challenging due to sensor limitations, unknown force characteristics, or inaccessible load points. This paper presents an efficient dynamic load reconstruction method using physics-informed Gaussian processes (GP) based on frequency-sparse Fourier basis functions. The GP's covariance matrices are built using the description of the system dynamics, and the model is trained using structural response measurements. This provides support and interpretability to the machine learning model, in contrast to purely data-driven methods. In addition, the model filters out irrelevant components in the Fourier basis function by leveraging the sparsity of structural responses in the frequency domain, thereby reducing computational complexity during optimization. The trained model for structural responses is then integrated with the differential equation for a harmonic oscillator, creating a probabilistic dynamic load model that predicts load patterns without requiring force data during training. The model's effectiveness is validated through two case studies: a numerical model of a wind-excited 76-story building and an experiment using a physical scale model of the Lilleb{\ae}lt Bridge in Denmark, excited by a servo motor. For both cases, validation of the reconstructed forces is provided using comparison metrics for several signal properties. The developed model holds potential for applications in structural health monitoring, damage prognosis, and load model validation.
Authors: Yaorui Shi, Jiaqi Yang, Sihang Li, Junfeng Fang, Xiang Wang, Zhiyuan Liu, Yang Zhang
Abstract: Pre-trained language models (PLMs) have revolutionized scientific research, yet their application to single-cell analysis remains limited. Text PLMs cannot process single-cell RNA sequencing data, while cell PLMs lack the ability to handle free text, restricting their use in multimodal tasks. Existing efforts to bridge these modalities often suffer from information loss or inadequate single-modal pre-training, leading to suboptimal performances. To address these challenges, we propose Single-Cell MultiModal Generative Pre-trained Transformer (scMMGPT), a unified PLM for joint cell and text modeling. scMMGPT effectively integrates the state-of-the-art cell and text PLMs, facilitating cross-modal knowledge sharing for improved performance. To bridge the text-cell modality gap, scMMGPT leverages dedicated cross-modal projectors, and undergoes extensive pre-training on 27 million cells -- the largest dataset for multimodal cell-text PLMs to date. This large-scale pre-training enables scMMGPT to excel in joint cell-text tasks, achieving an 84\% relative improvement of textual discrepancy for cell description generation, 20.5\% higher accuracy for cell type annotation, and 4\% improvement in $k$-NN accuracy for text-conditioned pseudo-cell generation, outperforming baselines.
Authors: Xiangjian Jiang, Nikola Simidjievski, Mateja Jamnik
Abstract: Heterogeneous tabular data poses unique challenges in generative modelling due to its fundamentally different underlying data structure compared to homogeneous modalities, such as images and text. Although previous research has sought to adapt the successes of generative modelling in homogeneous modalities to the tabular domain, defining an effective generator for tabular data remains an open problem. One major reason is that the evaluation criteria inherited from other modalities often fail to adequately assess whether tabular generative models effectively capture or utilise the unique structural information encoded in tabular data. In this paper, we carefully examine the limitations of the prevailing evaluation framework and introduce $\textbf{TabStruct}$, a novel evaluation benchmark that positions structural fidelity as a core evaluation dimension. Specifically, TabStruct evaluates the alignment of causal structures in real and synthetic data, providing a direct measure of how effectively tabular generative models learn the structure of tabular data. Through extensive experiments using generators from eight categories on seven datasets with expert-validated causal graphical structures, we show that structural fidelity offers a task-independent, domain-agnostic evaluation dimension. Our findings highlight the importance of tabular data structure and offer practical guidance for developing more effective and robust tabular generative models. Code is available at https://github.com/SilenceX12138/TabStruct.
Authors: Francesco Ballerin, Nello Blaser, Erlend Grong
Abstract: Analyzing vector fields on the sphere, such as wind speed and direction on Earth, is a difficult task. Models should respect both the rotational symmetries of the sphere and the inherent symmetries of the vector fields. In this paper, we introduce a deep learning architecture that respects both symmetry types using novel techniques based on group convolutions in the 3-dimensional rotation group. This architecture is suitable for scalar and vector fields on the sphere as they can be described as equivariant signals on the 3-dimensional rotation group. Experiments show that our architecture achieves lower prediction and reconstruction error when tested on rotated data compared to both standard CNNs and spherical CNNs.
Authors: Andreas Kofler, Luca Calatroni, Christoph Kolbitsch, Kostas Papafitsoros
Abstract: We propose an unrolled algorithm approach for learning spatially adaptive parameter maps in the framework of convolutional synthesis-based $\ell_1$ regularization. More precisely, we consider a family of pre-trained convolutional filters and estimate deeply parametrized spatially varying parameters applied to the sparse feature maps by means of unrolling a FISTA algorithm to solve the underlying sparse estimation problem. The proposed approach is evaluated for image reconstruction of low-field MRI and compared to spatially adaptive and non-adaptive analysis-type procedures relying on Total Variation regularization and to a well-established model-based deep learning approach. We show that the proposed approach produces visually and quantitatively comparable results with the latter approaches and at the same time remains highly interpretable. In particular, the inferred parameter maps quantify the local contribution of each filter in the reconstruction, which provides valuable insight into the algorithm mechanism and could potentially be used to discard unsuited filters.
Authors: Kadir \"Oz\c{c}oban, Murat Manguo\u{g}lu, Emrullah Fatih Yetkin
Abstract: The real-life data have a complex and non-linear structure due to their nature. These non-linearities and the large number of features can usually cause problems such as the empty-space phenomenon and the well-known curse of dimensionality. Finding the nearly optimal representation of the dataset in a lower-dimensional space (i.e. dimensionality reduction) offers an applicable mechanism for improving the success of machine learning tasks. However, estimating the required data dimension for the nearly optimal representation (intrinsic dimension) can be very costly, particularly if one deals with big data. We propose a highly efficient and robust intrinsic dimension estimation approach that only relies on matrix-vector products for dimensionality reduction methods. An experimental study is also conducted to compare the performance of proposed method with state of the art approaches.
Authors: Qi Xu, Annie Qu
Abstract: In the era of big data, large-scale, multi-modal datasets are increasingly ubiquitous, offering unprecedented opportunities for predictive modeling and scientific discovery. However, these datasets often exhibit complex heterogeneity, such as covariate shift, posterior drift, and missing modalities, that can hinder the accuracy of existing prediction algorithms. To address these challenges, we propose a novel Representation Retrieval ($R^2$) framework, which integrates a representation learning module (the representer) with a sparsity-induced machine learning model (the learner). Moreover, we introduce the notion of "integrativeness" for representers, characterized by the effective data sources used in learning representers, and propose a Selective Integration Penalty (SIP) to explicitly improve the property. Theoretically, we demonstrate that the $R^2$ framework relaxes the conventional full-sharing assumption in multi-task learning, allowing for partially shared structures, and that SIP can improve the convergence rate of the excess risk bound. Extensive simulation studies validate the empirical performance of our framework, and applications to two real-world datasets further confirm its superiority over existing approaches.
Authors: Reza Mirzaeifard, Ashkan Moradi, Masahiro Yukawa, Stefan Werner
Abstract: This paper addresses the challenge of localization in federated settings, which are characterized by distributed data, non-convexity, and non-smoothness. To tackle the scalability and outlier issues inherent in such environments, we propose a robust algorithm that employs an $\ell_1$-norm formulation within a novel federated ADMM framework. This approach addresses the problem by integrating an iterative smooth approximation for the total variation consensus term and employing a Moreau envelope approximation for the convex function that appears in a subtracted form. This transformation ensures that the problem is smooth and weakly convex in each iteration, which results in enhanced computational efficiency and improved estimation accuracy. The proposed algorithm supports asynchronous updates and multiple client updates per iteration, which ensures its adaptability to real-world federated systems. To validate the reliability of the proposed algorithm, we show that the method converges to a stationary point, and numerical simulations highlight its superior performance in convergence speed and outlier resilience compared to existing state-of-the-art localization methods.
Authors: Nazanin Moradinasab, Saurav Sengupta, Jiebei Liu, Sana Syed, Donald E. Brown
Abstract: Healthcare relies on multiple types of data, such as medical images, genetic information, and clinical records, to improve diagnosis and treatment. However, missing data is a common challenge due to privacy restrictions, cost, and technical issues, making many existing multi-modal models unreliable. To address this, we propose a new multi-model model called Mixture of Experts, Symmetric Aligning, and Reconstruction (MoSARe), a deep learning framework that handles incomplete multimodal data while maintaining high accuracy. MoSARe integrates expert selection, cross-modal attention, and contrastive learning to improve feature representation and decision-making. Our results show that MoSARe outperforms existing models in situations when the data is complete. Furthermore, it provides reliable predictions even when some data are missing. This makes it especially useful in real-world healthcare settings, including resource-limited environments. Our code is publicly available at https://github.com/NazaninMn/MoSARe.
Authors: Bakary Badjie, Jos\'e Cec\'ilio, Ant\'onio Casimiro
Abstract: The Mixture-of-Experts (MoE) model has succeeded in deep learning (DL). However, its complex architecture and advantages over dense models in image classification remain unclear. In previous studies, MoE performance has often been affected by noise and outliers in the input space. Some approaches incorporate input clustering for training MoE models, but most clustering algorithms lack access to labeled data, limiting their effectiveness. This paper introduces the Double-stage Feature-level Clustering and Pseudo-labeling-based Mixture of Experts (DFCP-MoE) framework, which consists of input feature extraction, feature-level clustering, and a computationally efficient pseudo-labeling strategy. This approach reduces the impact of noise and outliers while leveraging a small subset of labeled data to label a large portion of unlabeled inputs. We propose a conditional end-to-end joint training method that improves expert specialization by training the MoE model on well-labeled, clustered inputs. Unlike traditional MoE and dense models, the DFCP-MoE framework effectively captures input space diversity, leading to competitive inference results. We validate our approach on three benchmark datasets for multi-class classification tasks.
Authors: Yongsheng Lian
Abstract: Inspired by the success of DeepSeek R1 in reasoning via reinforcement learning without human feedback, we train a 3B language model using the Countdown Game with pure reinforcement learning. Our model outperforms baselines on four of five benchmarks, demonstrating improved generalization beyond its training data. Notably, response length does not correlate with reasoning quality, and while "aha moments" emerge, they do not always yield correct answers. These findings highlight the potential of RL-only training for reasoning enhancement and suggest future work on refining reward structures to bridge emergent insights with accuracy.
Authors: Adam Karvonen, Can Rager, Johnny Lin, Curt Tigges, Joseph Bloom, David Chanin, Yeu-Tong Lau, Eoin Farrell, Callum McDougall, Kola Ayonrinde, Matthew Wearden, Arthur Conmy, Samuel Marks, Neel Nanda
Abstract: Sparse autoencoders (SAEs) are a popular technique for interpreting language model activations, and there is extensive recent work on improving SAE effectiveness. However, most prior work evaluates progress using unsupervised proxy metrics with unclear practical relevance. We introduce SAEBench, a comprehensive evaluation suite that measures SAE performance across seven diverse metrics, spanning interpretability, feature disentanglement and practical applications like unlearning. To enable systematic comparison, we open-source a suite of over 200 SAEs across eight recently proposed SAE architectures and training algorithms. Our evaluation reveals that gains on proxy metrics do not reliably translate to better practical performance. For instance, while Matryoshka SAEs slightly underperform on existing proxy metrics, they substantially outperform other architectures on feature disentanglement metrics; moreover, this advantage grows with SAE scale. By providing a standardized framework for measuring progress in SAE development, SAEBench enables researchers to study scaling trends and make nuanced comparisons between different SAE architectures and training methodologies. Our interactive interface enables researchers to flexibly visualize relationships between metrics across hundreds of open-source SAEs at: https://saebench.xyz
URLs: https://saebench.xyz
Authors: Nguyen Thach, Fei Liu, Houyu Zhou, Hau Chan
Abstract: Designing strategyproof mechanisms for multi-facility location that optimize social costs based on agent preferences had been challenging due to the extensive domain knowledge required and poor worst-case guarantees. Recently, deep learning models have been proposed as alternatives. However, these models require some domain knowledge and extensive hyperparameter tuning as well as lacking interpretability, which is crucial in practice when transparency of the learned mechanisms is mandatory. In this paper, we introduce a novel approach, named LLMMech, that addresses these limitations by incorporating large language models (LLMs) into an evolutionary framework for generating interpretable, hyperparameter-free, empirically strategyproof, and nearly optimal mechanisms. Our experimental results, evaluated on various problem settings where the social cost is arbitrarily weighted across agents and the agent preferences may not be uniformly distributed, demonstrate that the LLM-generated mechanisms generally outperform existing handcrafted baselines and deep learning models. Furthermore, the mechanisms exhibit impressive generalizability to out-of-distribution agent preferences and to larger instances with more agents.
Authors: Thomas Kleine Buening, Jiarui Gan, Debmalya Mandal, Marta Kwiatkowska
Abstract: We study Reinforcement Learning from Human Feedback (RLHF), where multiple individuals with diverse preferences provide feedback strategically to sway the final policy in their favor. We show that existing RLHF methods are not strategyproof, which can result in learning a substantially misaligned policy even when only one out of $k$ individuals reports their preferences strategically. In turn, we also find that any strategyproof RLHF algorithm must perform $k$-times worse than the optimal policy, highlighting an inherent trade-off between incentive alignment and policy alignment. We then propose a pessimistic median algorithm that, under appropriate coverage assumptions, is approximately strategyproof and converges to the optimal policy as the number of individuals and samples increases.
Authors: Zixiang Chen, Greg Yang, Qingyue Zhao, Quanquan Gu
Abstract: Despite deep neural networks' powerful representation learning capabilities, theoretical understanding of how networks can simultaneously achieve meaningful feature learning and global convergence remains elusive. Existing approaches like the neural tangent kernel (NTK) are limited because features stay close to their initialization in this parametrization, leaving open questions about feature properties during substantial evolution. In this paper, we investigate the training dynamics of infinitely wide, $L$-layer neural networks using the tensor program (TP) framework. Specifically, we show that, when trained with stochastic gradient descent (SGD) under the Maximal Update parametrization ($\mu$P) and mild conditions on the activation function, SGD enables these networks to learn linearly independent features that substantially deviate from their initial values. This rich feature space captures relevant data information and ensures that any convergent point of the training process is a global minimum. Our analysis leverages both the interactions among features across layers and the properties of Gaussian random variables, providing new insights into deep representation learning. We further validate our theoretical findings through experiments on real-world datasets.
Authors: Marianne Arriola, Aaron Gokaslan, Justin T Chiu, Zhihan Yang, Zhixuan Qi, Jiaqi Han, Subham Sekhar Sahoo, Volodymyr Kuleshov
Abstract: Diffusion language models offer unique benefits over autoregressive models due to their potential for parallelized generation and controllability, yet they lag in likelihood modeling and are limited to fixed-length generation. In this work, we introduce a class of block diffusion language models that interpolate between discrete denoising diffusion and autoregressive models. Block diffusion overcomes key limitations of both approaches by supporting flexible-length generation and improving inference efficiency with KV caching and parallel token sampling. We propose a recipe for building effective block diffusion models that includes an efficient training algorithm, estimators of gradient variance, and data-driven noise schedules to minimize the variance. Block diffusion sets a new state-of-the-art performance among diffusion models on language modeling benchmarks and enables generation of arbitrary-length sequences. We provide the code, along with the model weights and blog post on the project page: https://m-arriola.com/bd3lms/
Authors: Philippe Chlenski, Kaizhu Du, Dylan Satow, Itsik Pe'er
Abstract: We present Manify, an open-source Python library for non-Euclidean representation learning. Leveraging manifold learning techniques, Manify provides tools for learning embeddings in (products of) non-Euclidean spaces, performing classification and regression with data that lives in such spaces, and estimating the curvature of a manifold. Manify aims to advance research and applications in machine learning by offering a comprehensive suite of tools for manifold-based data analysis. Our source code, examples, datasets, results, and documentation are available at https://github.com/pchlenski/manify
Authors: Changxiao Cai, Gen Li
Abstract: Score-based diffusion models have become a foundational paradigm for modern generative modeling, demonstrating exceptional capability in generating samples from complex high-dimensional distributions. Despite the dominant adoption of probability flow ODE-based samplers in practice due to their superior sampling efficiency and precision, rigorous statistical guarantees for these methods have remained elusive in the literature. This work develops the first end-to-end theoretical framework for deterministic ODE-based samplers that establishes near-minimax optimal guarantees under mild assumptions on target data distributions. Specifically, focusing on subgaussian distributions with $\beta$-H\"older smooth densities for $\beta\leq 2$, we propose a smooth regularized score estimator that simultaneously controls both the $L^2$ score error and the associated mean Jacobian error. Leveraging this estimator within a refined convergence analysis of the ODE-based sampling process, we demonstrate that the resulting sampler achieves the minimax rate in total variation distance, modulo logarithmic factors. Notably, our theory comprehensively accounts for all sources of error in the sampling process and does not require strong structural conditions such as density lower bounds or Lipschitz/smooth scores on target distributions, thereby covering a broad range of practical data distributions.
Authors: Sikai Huang, Yixin Berry Wen, Tara Adusumilli, Kusum Choudhary, Haizhao Yang
Abstract: Symbolic regression is essential for deriving interpretable expressions that elucidate complex phenomena by exposing the underlying mathematical and physical relationships in data. In this paper, we present an advanced symbolic regression method that integrates symbol priors from diverse scientific domains - including physics, biology, chemistry, and engineering - into the regression process. By systematically analyzing domain-specific expressions, we derive probability distributions of symbols to guide expression generation. We propose novel tree-structured recurrent neural networks (RNNs) that leverage these symbol priors, enabling domain knowledge to steer the learning process. Additionally, we introduce a hierarchical tree structure for representing expressions, where unary and binary operators are organized to facilitate more efficient learning. To further accelerate training, we compile characteristic expression blocks from each domain and include them in the operator dictionary, providing relevant building blocks. Experimental results demonstrate that leveraging symbol priors significantly enhances the performance of symbolic regression, resulting in faster convergence and higher accuracy.
Authors: Paulo F. Bedaque, Hyunwoo Oh
Abstract: Results obtained with stochastic methods have an inherent uncertainty due to the finite number of samples that can be achieved in practice. In lattice QCD this problem is particularly salient in some observables like, for instance, observables involving one or more baryons and it is the main problem preventing the calculation of nuclear forces from first principles. The method of control variables has been used extensively in statistics and it amounts to computing the expectation value of the difference between the observable of interest and another observable whose average is known to be zero but is correlated with the observable of interest. Recently, control variates methods emerged as a promising solution in the context of lattice field theories. In our current study, instead of relying on an educated guess to determine the control variate, we utilize a neural network to parametrize this function. Using 1+1 dimensional scalar field theory as a testbed, we demonstrate that this neural network approach yields substantial improvements. Notably, our findings indicate that the neural network ansatz is particularly effective in the strong coupling regime.
Authors: Kasymkhan Khubiev, Mikhail Semenov
Abstract: Classical asset price forecasting methods primarily rely on numerical data, such as price time series, trading volumes, limit order book data, and technical analysis indicators. However, the news flow plays a significant role in price formation, making the development of multimodal approaches that combine textual and numerical data for improved prediction accuracy highly relevant. This paper addresses the problem of forecasting financial asset prices using the multimodal approach that combines candlestick time series and textual news flow data. A unique dataset was collected for the study, which includes time series for 176 Russian stocks traded on the Moscow Exchange and 79,555 financial news articles in Russian. For processing textual data, pre-trained models RuBERT and Vikhr-Qwen2.5-0.5b-Instruct (a large language model) were used, while time series and vectorized text data were processed using an LSTM recurrent neural network. The experiments compared models based on a single modality (time series only) and two modalities, as well as various methods for aggregating text vector representations. Prediction quality was estimated using two key metrics: Accuracy (direction of price movement prediction: up or down) and Mean Absolute Percentage Error (MAPE), which measures the deviation of the predicted price from the true price. The experiments showed that incorporating textual modality reduced the MAPE value by 55%. The resulting multimodal dataset holds value for the further adaptation of language models in the financial sector. Future research directions include optimizing textual modality parameters, such as the time window, sentiment, and chronological order of news messages.
Authors: Julien Posso, Hugo Kieffer, Nicolas Menga, Omar Hlimi, S\'ebastien Tarris, Hubert Guerard, Guy Bois, Matthieu Couderc, Eric Jenn
Abstract: This study introduces a lightweight U-Net model optimized for real-time semantic segmentation of aerial images, targeting the efficient utilization of Commercial Off-The-Shelf (COTS) embedded computing platforms. We maintain the accuracy of the U-Net on a real-world dataset while significantly reducing the model's parameters and Multiply-Accumulate (MAC) operations by a factor of 16. Our comprehensive analysis covers three hardware platforms (CPU, GPU, and FPGA) and five different toolchains (TVM, FINN, Vitis AI, TensorFlow GPU, and cuDNN), assessing each on metrics such as latency, power consumption, memory footprint, energy efficiency, and FPGA resource usage. The results highlight the trade-offs between these platforms and toolchains, with a particular focus on the practical deployment challenges in real-world applications. Our findings demonstrate that while the FPGA with Vitis AI emerges as the superior choice due to its performance, energy efficiency, and maturity, it requires specialized hardware knowledge, emphasizing the need for a balanced approach in selecting embedded computing solutions for semantic segmentation tasks
Authors: Yan Hu, Ahmad Chaddad
Abstract: This study introduces the SHAP-integrated convolutional diagnostic network (SICDN), an interpretable feature selection method designed for limited datasets, to address the challenge posed by data privacy regulations that restrict access to medical datasets. The SICDN model was tested on classification tasks using pneumonia and breast cancer datasets, demonstrating over 97% accuracy and surpassing four popular CNN models. We also integrated a historical weighted moving average technique to enhance feature selection. The SICDN shows potential in medical image prediction, with the code available on https://github.com/AIPMLab/SICDN.
Authors: Isaac David, Arthur Gervais
Abstract: In the age of powerful AI-generated text, automatic detectors have emerged to identify machine-written content. This poses a threat to author privacy and freedom, as text authored with AI assistance may be unfairly flagged. We propose AuthorMist, a novel reinforcement learning-based system to transform AI-generated text into human-like writing. AuthorMist leverages a 3-billion-parameter language model as a backbone, fine-tuned with Group Relative Policy Optimization (GPRO) to paraphrase text in a way that evades AI detectors. Our framework establishes a generic approach where external detector APIs (GPTZero, WinstonAI, Originality.ai, etc.) serve as reward functions within the reinforcement learning loop, enabling the model to systematically learn outputs that these detectors are less likely to classify as AI-generated. This API-as-reward methodology can be applied broadly to optimize text against any detector with an accessible interface. Experiments on multiple datasets and detectors demonstrate that AuthorMist effectively reduces the detectability of AI-generated text while preserving the original meaning. Our evaluation shows attack success rates ranging from 78.6% to 96.2% against individual detectors, significantly outperforming baseline paraphrasing methods. AuthorMist maintains high semantic similarity (above 0.94) with the original text while successfully evading detection. These results highlight limitations in current AI text detection technologies and raise questions about the sustainability of the detection-evasion arms race.
Authors: Christiaan Boerkamp, Akhil John Thomas
Abstract: Medical image segmentation, particularly tumor segmentation, is a critical task in medical imaging, with U-Net being a widely adopted convolutional neural network (CNN) architecture for this purpose. However, U-Net's high computational and memory requirements pose challenges for deployment on resource-constrained devices such as wearable medical systems. This paper addresses these challenges by introducing QuantU-Net, a quantized version of U-Net optimized for efficient deployment on low-power devices like Field-Programmable Gate Arrays (FPGAs). Using Brevitas, a PyTorch library for quantization-aware training, we quantize the U-Net model, reducing its precision to an average of 4.24 bits while maintaining a validation accuracy of 94.25%, only 1.89% lower than the floating-point baseline. The quantized model achieves an approximately 8x reduction in size, making it suitable for real-time applications in wearable medical devices. We employ a custom loss function that combines Binary Cross-Entropy (BCE) Loss, Dice Loss, and a bitwidth loss function to optimize both segmentation accuracy and the size of the model. Using this custom loss function, we have significantly reduced the training time required to find an optimal combination of bitwidth and accuracy from a hypothetical 6^23 number of training sessions to a single training session. The model's usage of integer arithmetic highlights its potential for deployment on FPGAs and other designated AI accelerator hardware. This work advances the field of medical image segmentation by enabling the deployment of deep learning models on resource-constrained devices, paving the way for real-time, low-power diagnostic solutions in wearable healthcare applications.
Authors: Aviad Barzilai, Yotam Gigi, Vered Silverman, Yehonathan Refael, Bolous Jaber, Amr Helmy, Tomer Shekel, George Leifman, Genady Beryozkin
Abstract: Foundation models have had a significant impact across various AI applications, enabling use cases that were previously impossible. Contrastive Visual Language Models (VLMs), in particular, have outperformed other techniques in many tasks. However, their prevalence in remote sensing (RS) is still limited, due to the scarcity of diverse remote-sensing visual-language datasets. In this work we introduce two novel image-caption datasets for training of remote sensing foundation models. The first dataset pairs aerial and satellite imagery with captions generated by Gemini using landmarks extracted from Google Maps. The second dataset utilizes public web images and their corresponding alt-text, filtered for the remote sensing domain, resulting in a diverse dataset with greater breadth in image styles and subject matter. These datasets are used to pre-train the MaMMUT~\citep{kuo2023mammutsimplearchitecturejoint} VLM architecture, resulting in state-of-the-art generalization performance in zero-shot cross-modal retrieval on well-known public benchmarks. Finally, we present our ongoing research to distill image-level knowledge gained in the VLM contrastive training procedure to enhance the model's localization ability. Specifically, we iteratively generate pseudo-labels for image regions based on the model's attention maps and use these labels for further training. To mitigate noisy attention maps and create robust segmentation masks, we introduce a novel attention-pooling mechanism called the Smooth-Attention-Operation.
Authors: Ishaan Malhi, Praneet Dutta, Ellie Talius, Sally Ma, Brendan Driscoll, Krista Holden, Garima Pruthi, Arunachalam Narayanaswamy
Abstract: We present a framework for high-fidelity product image recontextualization using text-to-image diffusion models and a novel data augmentation pipeline. This pipeline leverages image-to-video diffusion, in/outpainting & negatives to create synthetic training data, addressing limitations of real-world data collection for this task. Our method improves the quality and diversity of generated images by disentangling product representations and enhancing the model's understanding of product characteristics. Evaluation on the ABO dataset and a private product dataset, using automated metrics and human assessment, demonstrates the effectiveness of our framework in generating realistic and compelling product visualizations, with implications for applications such as e-commerce and virtual product showcasing.
Authors: Seyyed Mohammad Sadegh Moosavi Khorzooghi, Poojitha Thota, Mohit Singhal, Abolfazl Asudeh, Gautam Das, Shirin Nilizadeh
Abstract: The lack of a common platform and benchmark datasets for evaluating face obfuscation methods has been a challenge, with every method being tested using arbitrary experiments, datasets, and metrics. While prior work has demonstrated that face recognition systems exhibit bias against some demographic groups, there exists a substantial gap in our understanding regarding the fairness of face obfuscation methods. Providing fair face obfuscation methods can ensure equitable protection across diverse demographic groups, especially since they can be used to preserve the privacy of vulnerable populations. To address these gaps, this paper introduces a comprehensive framework, named FairDeFace, designed to assess the adversarial robustness and fairness of face obfuscation methods. The framework introduces a set of modules encompassing data benchmarks, face detection and recognition algorithms, adversarial models, utility detection models, and fairness metrics. FairDeFace serves as a versatile platform where any face obfuscation method can be integrated, allowing for rigorous testing and comparison with other state-of-the-art methods. In its current implementation, FairDeFace incorporates 6 attacks, and several privacy, utility and fairness metrics. Using FairDeFace, and by conducting more than 500 experiments, we evaluated and compared the adversarial robustness of seven face obfuscation methods. This extensive analysis led to many interesting findings both in terms of the degree of robustness of existing methods and their biases against some gender or racial groups. FairDeFace also uses visualization of focused areas for both obfuscation and verification attacks to show not only which areas are mostly changed in the obfuscation process for some demographics, but also why they failed through focus area comparison of obfuscation and verification.
Authors: Huanhuan Zhao, Ruben Millan Solsona, Marti Checa, Spenser R. Brown, Jennifer L. Morrell-Falvey, Liam Collins, Arpan Biswas
Abstract: Microscopy is an essential tool in scientific research, enabling the visualization of structures at micro- and nanoscale resolutions. However, the field of microscopy often encounters limitations in field-of-view (FOV), restricting the amount of sample that can be imaged in a single capture. To overcome this limitation, image stitching techniques have been developed to seamlessly merge multiple overlapping images into a single, high-resolution composite. The images collected from microscope need to be optimally stitched before accurate physical information can be extracted from post analysis. However, the existing stitching tools either struggle to stitch images together when the microscopy images are feature sparse or cannot address all the transformations of images. To address these issues, we propose a bi-channel aided feature-based image stitching method and demonstrate its use on AFM generated biofilm images. The topographical channel image of AFM data captures the morphological details of the sample, and a stitched topographical image is desired for researchers. We utilize the amplitude channel of AFM data to maximize the matching features and to estimate the position of the original topographical images and show that the proposed bi-channel aided stitching method outperforms the traditional stitching approach. Furthermore, we found that the differentiation of the topographical images along the x-axis provides similar feature information to the amplitude channel image, which generalizes our approach when the amplitude images are not available. Here we demonstrated the application on AFM, but similar approaches could be employed of optical microscopy with brightfield and fluorescence channels. We believe this proposed workflow will benefit the experimentalist to avoid erroneous analysis and discovery due to incorrect stitching.
Authors: Janis Zenkner, Tobias Sesterhenn, Christian Bartelt
Abstract: Task decomposition is a fundamental mechanism in program synthesis, enabling complex problems to be broken down into manageable subtasks. ExeDec, a state-of-the-art program synthesis framework, employs this approach by combining a Subgoal Model for decomposition and a Synthesizer Model for program generation to facilitate compositional generalization. In this work, we develop REGISM, an adaptation of ExeDec that removes decomposition guidance and relies solely on iterative execution-driven synthesis. By comparing these two exemplary approaches-ExeDec, which leverages task decomposition, and REGISM, which does not-we investigate the interplay between task decomposition and program generation. Our findings indicate that ExeDec exhibits significant advantages in length generalization and concept composition tasks, likely due to its explicit decomposition strategies. At the same time, REGISM frequently matches or surpasses ExeDec's performance across various scenarios, with its solutions often aligning more closely with ground truth decompositions. These observations highlight the importance of repeated execution-guided synthesis in driving task-solving performance, even within frameworks that incorporate explicit decomposition strategies. Our analysis suggests that task decomposition approaches like ExeDec hold significant potential for advancing program synthesis, though further work is needed to clarify when and why these strategies are most effective.
Authors: Chao Zhou, Wei Pu, Miguel Rodrigues
Abstract: Hyperspectral image (HSI) unmixing is a challenging research problem that tries to identify the constituent components, known as endmembers, and their corresponding proportions, known as abundances, in the scene by analysing images captured by hyperspectral cameras. Recently, many deep learning based unmixing approaches have been proposed with the surge of machine learning techniques, especially convolutional neural networks (CNN). However, these methods face two notable challenges: 1. They frequently yield results lacking physical significance, such as signatures corresponding to unknown or non-existent materials. 2. CNNs, as general-purpose network structures, are not explicitly tailored for unmixing tasks. In response to these concerns, our work draws inspiration from double deep image prior (DIP) techniques and algorithm unrolling, presenting a novel network structure that effectively addresses both issues. Specifically, we first propose a MatrixConv Unmixing (MCU) approach for endmember and abundance estimation, respectively, which can be solved via certain iterative solvers. We then unroll these solvers to build two sub-networks, endmember estimation DIP (UEDIP) and abundance estimation DIP (UADIP), to generate the estimation of endmember and abundance, respectively. The overall network is constructed by assembling these two sub-networks. In order to generate meaningful unmixing results, we also propose a composite loss function. To further improve the unmixing quality, we also add explicitly a regularizer for endmember and abundance estimation, respectively. The proposed methods are tested for effectiveness on both synthetic and real datasets.
Authors: Qi Wang, Zhipeng Zhang, Baao Xie, Xin Jin, Yunbo Wang, Shiyu Wang, Liaomo Zheng, Xiaokang Yang, Wenjun Zeng
Abstract: Training visual reinforcement learning (RL) in practical scenarios presents a significant challenge, $\textit{i.e.,}$ RL agents suffer from low sample efficiency in environments with variations. While various approaches have attempted to alleviate this issue by disentanglement representation learning, these methods usually start learning from scratch without prior knowledge of the world. This paper, in contrast, tries to learn and understand underlying semantic variations from distracting videos via offline-to-online latent distillation and flexible disentanglement constraints. To enable effective cross-domain semantic knowledge transfer, we introduce an interpretable model-based RL framework, dubbed Disentangled World Models (DisWM). Specifically, we pretrain the action-free video prediction model offline with disentanglement regularization to extract semantic knowledge from distracting videos. The disentanglement capability of the pretrained model is then transferred to the world model through latent distillation. For finetuning in the online environment, we exploit the knowledge from the pretrained model and introduce a disentanglement constraint to the world model. During the adaptation phase, the incorporation of actions and rewards from online environment interactions enriches the diversity of the data, which in turn strengthens the disentangled representation learning. Experimental results validate the superiority of our approach on various benchmarks.
Authors: Carlos Arizmendi, Alfredo Vellido, Enrique Romero
Abstract: The diagnosis of brain tumours is an extremely sensitive and complex clinical task that must rely upon information gathered through non-invasive techniques. One such technique is magnetic resonance, in the modalities of imaging or spectroscopy. The latter provides plenty of metabolic information about the tumour tissue, but its high dimensionality makes resorting to pattern recognition techniques advisable. In this brief paper, an international database of brain tumours is analyzed resorting to an ad hoc spectral frequency selection procedure combined with nonlinear classification.
Authors: Matthias M\"oller, Arvid Norlander, Pedro Zuidberg Dos Martires, Luc De Raedt
Abstract: Neurosymbolic (NeSy) AI studies the integration of neural networks (NNs) and symbolic reasoning based on logic. Usually, NeSy techniques focus on learning the neural, probabilistic and/or fuzzy parameters of NeSy models. Learning the symbolic or logical structure of such models has, so far, received less attention. We introduce neurosymbolic decision trees (NDTs), as an extension of decision trees together with a novel NeSy structure learning algorithm, which we dub NeuID3. NeuID3 adapts the standard top-down induction of decision tree algorithms and combines it with a neural probabilistic logic representation, inherited from the DeepProbLog family of models. The key advantage of learning NDTs with NeuID3 is the support of both symbolic and subsymbolic data (such as images), and that they can exploit background knowledge during the induction of the tree structure, In our experimental evaluation we demonstrate the benefits of NeSys structure learning over more traditonal approaches such as purely data-driven learning with neural networks.
Authors: Nithin Parsan, David J. Yang, John J. Yang
Abstract: Protein language models have revolutionized structure prediction, but their nonlinear nature obscures how sequence representations inform structure prediction. While sparse autoencoders (SAEs) offer a path to interpretability here by learning linear representations in high-dimensional space, their application has been limited to smaller protein language models unable to perform structure prediction. In this work, we make two key advances: (1) we scale SAEs to ESM2-3B, the base model for ESMFold, enabling mechanistic interpretability of protein structure prediction for the first time, and (2) we adapt Matryoshka SAEs for protein language models, which learn hierarchically organized features by forcing nested groups of latents to reconstruct inputs independently. We demonstrate that our Matryoshka SAEs achieve comparable or better performance than standard architectures. Through comprehensive evaluations, we show that SAEs trained on ESM2-3B significantly outperform those trained on smaller models for both biological concept discovery and contact map prediction. Finally, we present an initial case study demonstrating how our approach enables targeted steering of ESMFold predictions, increasing structure solvent accessibility while fixing the input sequence. To facilitate further investigation by the broader community, we open-source our code, dataset, pretrained models https://github.com/johnyang101/reticular-sae , and visualizer https://sae.reticular.ai .
URLs: https://github.com/johnyang101/reticular-sae, https://sae.reticular.ai
Authors: Minsu Kim, Rodrigo Mira, Honglie Chen, Stavros Petridis, Maja Pantic
Abstract: In this paper, we investigate a novel approach for Target Speech Extraction (TSE), which relies solely on textual context to extract the target speech. We refer to this task as Contextual Speech Extraction (CSE). Unlike traditional TSE methods that rely on pre-recorded enrollment utterances, video of the target speaker's face, spatial information, or other explicit cues to identify the target stream, our proposed method requires only a few turns of previous dialogue (or monologue) history. This approach is naturally feasible in mobile messaging environments where voice recordings are typically preceded by textual dialogue that can be leveraged implicitly. We present three CSE models and analyze their performances on three datasets. Through our experiments, we demonstrate that even when the model relies purely on dialogue history, it can achieve over 90 % accuracy in identifying the correct target stream with only two previous dialogue turns. Furthermore, we show that by leveraging both textual context and enrollment utterances as cues during training, we further enhance our model's flexibility and effectiveness, allowing us to use either cue during inference, or combine both for improved performance. Samples and code available on https://miraodasilva.github.io/cse-project-page .
Authors: Mikey Shechter, Yair Carmon
Abstract: We introduce Filter Like You Test (FLYT), a method for curating large-scale vision-language datasets that learns the usefulness of each data point as a pretraining example. FLYT trains a scoring model that learns to weigh each example using gradient signals from downstream tasks training sets. Using the same training methodology, we develop Mixing-FLYT (M-FLYT), which takes the per-example scores generated by different scoring methods and learns to unify them into a single score. Our training methodology naturally produces a distribution over the training examples, which we leverage through Soft Cap Sampling (SCS), a strategy for obtaining a filtered pretraining dataset from per-example probabilities that samples examples while preventing over-representation through a repetition penalty. Using all three methods, we achieve 40.1% ImageNet zero-shot accuracy on the DataComp medium scale filtering benchmark, a 1.9% absolute accuracy increase over all previous results and a 5.5% increase over results that -- like us -- use only public resources.
Authors: Ce Guo, Tong Zhao
Abstract: Field-Programmable Gate Arrays (FPGAs) are widely used in modern hardware design, yet writing Hardware Description Language (HDL) code for FPGA implementation remains labor-intensive and complex. Large Language Models (LLMs) have emerged as a promising tool for automating HDL generation, but existing benchmarks for LLM HDL code generation primarily evaluate functional correctness while overlooking the critical aspect of hardware resource efficiency. Moreover, current benchmarks lack diversity, failing to capture the broad range of real-world FPGA applications. To address these gaps, we introduce ResBench, the first resource-oriented benchmark explicitly designed to differentiate between resource-optimized and inefficient LLM-generated HDL. ResBench consists of 56 problems across 12 categories, covering applications from finite state machines to financial computing. Our evaluation framework systematically integrates FPGA resource constraints, with a primary focus on Lookup Table (LUT) usage, enabling a realistic assessment of hardware efficiency. Experimental results reveal substantial differences in resource utilization across LLMs, demonstrating ResBench's effectiveness in distinguishing models based on their ability to generate resource-optimized FPGA designs.
Authors: Tobias Wegel, Filip Kova\v{c}evi\'c, Alexandru \c{T}ifrea, Fanny Yang
Abstract: Simultaneously addressing multiple objectives is becoming increasingly important in modern machine learning. At the same time, data is often high-dimensional and costly to label. For a single objective such as prediction risk, conventional regularization techniques are known to improve generalization when the data exhibits low-dimensional structure like sparsity. However, it is largely unexplored how to leverage this structure in the context of multi-objective learning (MOL) with multiple competing objectives. In this work, we discuss how the application of vanilla regularization approaches can fail, and propose a two-stage MOL framework that can successfully leverage low-dimensional structure. We demonstrate its effectiveness experimentally for multi-distribution learning and fairness-risk trade-offs.
Authors: Guangtao Wang, Shubhangi Upasani, Chen Wu, Darshan Gandhi, Jonathan Li, Changran Hu, Bo Li, Urmish Thakker
Abstract: Efficient long-context inference is critical as large language models (LLMs) adopt context windows of ranging from 128K to 1M tokens. However, the growing key-value (KV) cache and the high computational complexity of attention create significant bottlenecks in memory usage and latency. In this paper, we find that attention in diverse long-context tasks exhibits sparsity, and LLMs implicitly "know" which tokens can be dropped or evicted at the head level after the pre-filling stage. Based on this insight, we propose Self-Attention Guided Eviction~(SAGE-KV), a simple and effective KV eviction cache method for long-context inference. After prefilling, our method performs a one-time top-k selection at both the token and head levels to compress the KV cache, enabling efficient inference with the reduced cache. Evaluations on LongBench and three long-context LLMs (Llama3.1-8B-Instruct-128k, Llama3-8B-Prolong-512k-Instruct, and Qwen2.5-7B-Instruct-128k) show that SAGE-KV maintains accuracy comparable to full attention while significantly improving efficiency. Specifically, SAGE-KV achieves 4x higher memory efficiency with improved accuracy over the static KV cache selection method StreamLLM, and 2x higher memory efficiency with better accuracy than the dynamic KV cache selection method Quest.
Authors: Parsa Hosseini, Sumit Nawathe, Mazda Moayeri, Sriram Balasubramanian, Soheil Feizi
Abstract: Unimodal vision models are known to rely on spurious correlations, but it remains unclear to what extent Multimodal Large Language Models (MLLMs) exhibit similar biases despite language supervision. In this paper, we investigate spurious bias in MLLMs and introduce SpurLens, a pipeline that leverages GPT-4 and open-set object detectors to automatically identify spurious visual cues without human supervision. Our findings reveal that spurious correlations cause two major failure modes in MLLMs: (1) over-reliance on spurious cues for object recognition, where removing these cues reduces accuracy, and (2) object hallucination, where spurious cues amplify the hallucination by over 10x. We validate our findings in various MLLMs and datasets. Beyond diagnosing these failures, we explore potential mitigation strategies, such as prompt ensembling and reasoning-based prompting, and conduct ablation studies to examine the root causes of spurious bias in MLLMs. By exposing the persistence of spurious correlations, our study calls for more rigorous evaluation methods and mitigation strategies to enhance the reliability of MLLMs.
Authors: Zhiyuan Zeng, Yizhong Wang, Hannaneh Hajishirzi, Pang Wei Koh
Abstract: An ideal model evaluation should achieve two goals: identifying where the model fails and providing actionable improvement guidance. Toward these goals for Language Model (LM) evaluations, we formulate the problem of generating a weakness profile, a set of weaknesses expressed in natural language, given an LM's performance on every individual instance in a benchmark. We introduce a suite of quantitative assessments to compare different weakness profiling methods. We also propose a weakness profiling method EvalTree. It constructs a capability tree where each node represents a capability described in natural language and is linked to a subset of benchmark instances that specifically evaluate this capability; it then extracts nodes where the LM performs poorly to generate a weakness profile. On the MATH and WildChat benchmarks, we show that EvalTree outperforms baseline weakness profiling methods by identifying weaknesses more precisely and comprehensively. Weakness profiling further enables weakness-guided data collection, and training data collection guided by EvalTree-identified weaknesses improves LM performance more than other data collection strategies. We also show how EvalTree exposes flaws in Chatbot Arena's human-voter-based evaluation practice. To facilitate future work, we release our code and an interface that allows practitioners to interactively explore the capability trees built by EvalTree.
Authors: Meltem Tatl{\i}, Arpan Mukherjee, Prashanth L. A., Karthikeyan Shanmugam, Ali Tajer
Abstract: This paper introduces a general framework for risk-sensitive bandits that integrates the notions of risk-sensitive objectives by adopting a rich class of distortion riskmetrics. The introduced framework subsumes the various existing risk-sensitive models. An important and hitherto unknown observation is that for a wide range of riskmetrics, the optimal bandit policy involves selecting a mixture of arms. This is in sharp contrast to the convention in the multi-arm bandit algorithms that there is generally a solitary arm that maximizes the utility, whether purely reward-centric or risk-sensitive. This creates a major departure from the principles for designing bandit algorithms since there are uncountable mixture possibilities. The contributions of the paper are as follows: (i) it formalizes a general framework for risk-sensitive bandits, (ii) identifies standard risk-sensitive bandit models for which solitary arm selections is not optimal, (iii) and designs regret-efficient algorithms whose sampling strategies can accurately track optimal arm mixtures (when mixture is optimal) or the solitary arms (when solitary is optimal). The algorithms are shown to achieve a regret that scales according to $O((\log T/T )^{\nu})$, where $T$ is the horizon, and $\nu>0$ is a riskmetric-specific constant.
Authors: Forough Fazeliasl, Michael Minyi Zhang, Bei Jiang, Linglong Kong
Abstract: Mutual Information (MI) is a crucial measure for capturing dependencies between variables, but exact computation is challenging in high dimensions with intractable likelihoods, impacting accuracy and robustness. One idea is to use an auxiliary neural network to train an MI estimator; however, methods based on the empirical distribution function (EDF) can introduce sharp fluctuations in the MI loss due to poor out-of-sample performance, destabilizing convergence. We present a Bayesian nonparametric (BNP) solution for training an MI estimator by constructing the MI loss with a finite representation of the Dirichlet process posterior to incorporate regularization in the training process. With this regularization, the MI loss integrates both prior knowledge and empirical data to reduce the loss sensitivity to fluctuations and outliers in the sample data, especially in small sample settings like mini-batches. This approach addresses the challenge of balancing accuracy and low variance by effectively reducing variance, leading to stabilized and robust MI loss gradients during training and enhancing the convergence of the MI approximation while offering stronger theoretical guarantees for convergence. We explore the application of our estimator in maximizing MI between the data space and the latent space of a variational autoencoder. Experimental results demonstrate significant improvements in convergence over EDF-based methods, with applications across synthetic and real datasets, notably in 3D CT image generation, yielding enhanced structure discovery and reduced overfitting in data synthesis. While this paper focuses on generative models in application, the proposed estimator is not restricted to this setting and can be applied more broadly in various BNP learning procedures.
Authors: Hoomaan Maskan, Yikun Hou, Suvrit Sra, Alp Yurtsever
Abstract: We introduce a new projection-free (Frank-Wolfe) method for optimizing structured nonconvex functions that are expressed as a difference of two convex functions. This problem class subsumes smooth nonconvex minimization, positioning our method as a promising alternative to the classical Frank-Wolfe algorithm. DC decompositions are not unique; by carefully selecting a decomposition, we can better exploit the problem structure, improve computational efficiency, and adapt to the underlying problem geometry to find better local solutions. We prove that the proposed method achieves a first-order stationary point in $O(1/\epsilon^2)$ iterations, matching the complexity of the standard Frank-Wolfe algorithm for smooth nonconvex minimization in general. Specific decompositions can, for instance, yield a gradient-efficient variant that requires only $O(1/\epsilon)$ calls to the gradient oracle. Finally, we present numerical experiments demonstrating the effectiveness of the proposed method compared to the standard Frank-Wolfe algorithm.
Authors: Hrishikesh Viswanath, Md Ashiqur Rahman, Chi Lin, Damon Conover, Aniket Bera
Abstract: Accurate and efficient 3D mapping of large-scale outdoor environments from LiDAR measurements is a fundamental challenge in robotics, particularly towards ensuring smooth and artifact-free surface reconstructions. Although the state-of-the-art methods focus on memory-efficient neural representations for high-fidelity surface generation, they often fail to produce artifact-free manifolds, with artifacts arising due to noisy and sparse inputs. To address this issue, we frame surface mapping as a physics-informed energy optimization problem, enforcing surface smoothness by optimizing an energy functional that penalizes sharp surface ridges. Specifically, we propose a deep learning based approach that learns the signed distance field (SDF) of the surface manifold from raw LiDAR point clouds using a physics-informed loss function that optimizes the $L_2$-Hessian energy of the surface. Our learning framework includes a hierarchical octree based input feature encoding and a multi-scale neural network to iteratively refine the signed distance field at different scales of resolution. Lastly, we introduce a test-time refinement strategy to correct topological inconsistencies and edge distortions that can arise in the generated mesh. We propose a \texttt{CUDA}-accelerated least-squares optimization that locally adjusts vertex positions to enforce feature-preserving smoothing. We evaluate our approach on large-scale outdoor datasets and demonstrate that our approach outperforms current state-of-the-art methods in terms of improved accuracy and smoothness. Our code is available at \href{https://github.com/HrishikeshVish/HessianForge/}{https://github.com/HrishikeshVish/HessianForge/}
URLs: https://github.com/HrishikeshVish/HessianForge/, https://github.com/HrishikeshVish/HessianForge/
Authors: Mohammad Farzanullah, Han Zhang, Akram Bin Sediq, Ali Afana, Melike Erol-Kantarci
Abstract: Sixth generation (6G) wireless technology is anticipated to introduce Integrated Sensing and Communication (ISAC) as a transformative paradigm. ISAC unifies wireless communication and RADAR or other forms of sensing to optimize spectral and hardware resources. This paper presents a pioneering framework that leverages ISAC sensing data to enhance beam selection processes in complex indoor environments. By integrating multi-modal transformer models with a multi-agent contextual bandit algorithm, our approach utilizes ISAC sensing data to improve communication performance and achieves high spectral efficiency (SE). Specifically, the multi-modal transformer can capture inter-modal relationships, enhancing model generalization across diverse scenarios. Experimental evaluations on the DeepSense 6G dataset demonstrate that our model outperforms traditional deep reinforcement learning (DRL) methods, achieving superior beam prediction accuracy and adaptability. In the single-user scenario, we achieve an average SE regret improvement of 49.6% as compared to DRL. Furthermore, we employ transfer reinforcement learning to reduce training time and improve model performance in multi-user environments. In the multi-user scenario, this approach enhances the average SE regret, which is a measure to demonstrate how far the learned policy is from the optimal SE policy, by 19.7% compared to training from scratch, even when the latter is trained 100 times longer.
Authors: Joao D. S. Marques, Arlindo L. Oliveira
Abstract: Electrocardiography (ECG) is an essential tool for diagnosing multiple cardiac anomalies: it provides valuable clinical insights, while being affordable, fast and available in many settings. However, in the current literature, the role of ECG analysis is often unclear: many approaches either rely on additional imaging modalities, such as Computed Tomography Pulmonary Angiography (CTPA), which may not always be available, or do not effectively generalize across different classification problems. Furthermore, the availability of public ECG datasets is limited and, in practice, these datasets tend to be small, making it essential to optimize learning strategies. In this study, we investigate the performance of multiple neural network architectures in order to assess the impact of various approaches. Moreover, we check whether these practices enhance model generalization when transfer learning is used to translate information learned in larger ECG datasets, such as PTB-XL and CPSC18, to a smaller, more challenging dataset for pulmonary embolism (PE) detection. By leveraging transfer learning, we analyze the extent to which we can improve learning efficiency and predictive performance on limited data. Code available at https://github.com/joaodsmarques/Are-ECGs-enough-Deep-Learning-Classifiers .
URLs: https://github.com/joaodsmarques/Are-ECGs-enough-Deep-Learning-Classifiers
Authors: Manish K. Gupta, Tomasz Rybotycki, Piotr Gawron
Abstract: The recent advancements in noisy intermediate-scale quantum (NISQ) devices implementation allow us to study their application to real-life computational problems. However, hardware challenges are not the only ones that hinder our quantum computation capabilities. Software limitations are the other, less explored side of this medal. Using satellite image segmentation as a task example, we investigated how difficult it is to run a hybrid quantum-classical model on a real, publicly available quantum device. We also analyzed the costs of such endeavor and the change in quality of model.
Authors: Yu Wang, Jiaxin Zhang, Xiang Gao, Wendi Cui, Peng Li, Kamalika Das
Abstract: In tasks like summarization and open-book question answering (QA), Large Language Models (LLMs) often encounter "contextual hallucination", where they produce irrelevant or incorrect responses despite having access to accurate source information. This typically occurs because these models tend to prioritize self-generated content over the input context, causing them to disregard pertinent details. To address this challenge, we introduce a novel method called "Guided Attention Map Editing" (GAME), which dynamically adjusts attention maps to improve contextual relevance. During inference, GAME employs a trained classifier to identify attention maps prone to inducing hallucinations and executes targeted interventions. These interventions, guided by gradient-informed "edit directions'', strategically redistribute attention weights across various heads to effectively reduce hallucination. Comprehensive evaluations on challenging summarization and open-book QA tasks show that GAME consistently reduces hallucinations across a variety of open-source models. Specifically, GAME reduces hallucinations by 10% in the XSum summarization task while achieving a 7X speed-up in computational efficiency compared to the state-of-the-art baselines.
Authors: Julian Rene Cuellar Buritica, Vu Dinh, Manjula Burri, Julie Roelandts, James Wendling, Jon D. Klingensmith
Abstract: Previous studies on echocardiogram segmentation are focused on the left ventricle in parasternal long-axis views. In this study, deep-learning models were evaluated on the segmentation of the ventricles in parasternal short-axis echocardiograms (PSAX-echo). Segmentation of the ventricles in complementary echocardiogram views will allow the computation of important metrics with the potential to aid in diagnosing cardio-pulmonary diseases and other cardiomyopathies. Evaluating state-of-the-art models with small datasets can reveal if they improve performance on limited data. PSAX-echo were performed on 33 volunteer women. An experienced cardiologist identified end-diastole and end-systole frames from 387 scans, and expert observers manually traced the contours of the cardiac structures. Traced frames were pre-processed and used to create labels to train 2 specific-domain (Unet-Resnet101 and Unet-ResNet50), and 4 general-domain (3 Segment Anything (SAM) variants, and the Detectron2) deep-learning models. The performance of the models was evaluated using the Dice similarity coefficient (DSC), Hausdorff distance (HD), and difference in cross-sectional area (DCSA). The Unet-Resnet101 model provided superior performance in the segmentation of the ventricles with 0.83, 4.93 pixels, and 106 pixel2 on average for DSC, HD, and DCSA respectively. A fine-tuned MedSAM model provided a performance of 0.82, 6.66 pixels, and 1252 pixel2, while the Detectron2 model provided 0.78, 2.12 pixels, and 116 pixel2 for the same metrics respectively. Deep-learning models are suitable for the segmentation of the left and right ventricles in PSAX-echo. This study demonstrated that specific-domain trained models such as Unet-ResNet provide higher accuracy for echo segmentation than general-domain segmentation models when working with small and locally acquired datasets.
Authors: Paolo Torrado, Joshua Levin, Markus Grotz, Joshua Smith
Abstract: Warehouse robotic systems equipped with vacuum grippers must reliably grasp a diverse range of objects from densely packed shelves. However, these environments present significant challenges, including occlusions, diverse object orientations, stacked and obstructed items, and surfaces that are difficult to suction. We introduce \tetra, a novel vacuum-based grasping strategy featuring four suction cups mounted on linear actuators. Each actuator is equipped with an optical time-of-flight (ToF) proximity sensor, enabling reactive grasping. We evaluate \tetra in a warehouse-style setting, demonstrating its ability to manipulate objects in stacked and obstructed configurations. Our results show that our RL-based policy improves picking success in stacked-object scenarios by 22.86\% compared to a single-suction gripper. Additionally, we demonstrate that TetraGrip can successfully grasp objects in scenarios where a single-suction gripper fails due to physical limitations, specifically in two cases: (1) picking an object occluded by another object and (2) retrieving an object in a complex scenario. These findings highlight the advantages of multi-actuated, suction-based grasping in unstructured warehouse environments. The project website is available at: \href{https://tetragrip.github.io/}{https://tetragrip.github.io/}.
URLs: https://tetragrip.github.io/, https://tetragrip.github.io/
Authors: Dikai Liu, Tianwei Zhang, Jianxiong Yin, Simon See
Abstract: Quadrupeds have gained rapid advancement in their capability of traversing across complex terrains. The adoption of deep Reinforcement Learning (RL), transformers and various knowledge transfer techniques can greatly reduce the sim-to-real gap. However, the classical teacher-student framework commonly used in existing locomotion policies requires a pre-trained teacher and leverages the privilege information to guide the student policy. With the implementation of large-scale models in robotics controllers, especially transformers-based ones, this knowledge distillation technique starts to show its weakness in efficiency, due to the requirement of multiple supervised stages. In this paper, we propose Unified Locomotion Transformer (ULT), a new transformer-based framework to unify the processes of knowledge transfer and policy optimization in a single network while still taking advantage of privilege information. The policies are optimized with reinforcement learning, next state-action prediction, and action imitation, all in just one training stage, to achieve zero-shot deployment. Evaluation results demonstrate that with ULT, optimal teacher and student policies can be obtained at the same time, greatly easing the difficulty in knowledge transfer, even with complex transformer-based models.
Authors: Haodong Zhang, Liang Zhang, Zhenghan Chen, Lu Chen, Yue Wang, Rong Xiong
Abstract: Natural and lifelike locomotion remains a fundamental challenge for humanoid robots to interact with human society. However, previous methods either neglect motion naturalness or rely on unstable and ambiguous style rewards. In this paper, we propose a novel Generative Motion Prior (GMP) that provides fine-grained motion-level supervision for the task of natural humanoid robot locomotion. To leverage natural human motions, we first employ whole-body motion retargeting to effectively transfer them to the robot. Subsequently, we train a generative model offline to predict future natural reference motions for the robot based on a conditional variational auto-encoder. During policy training, the generative motion prior serves as a frozen online motion generator, delivering precise and comprehensive supervision at the trajectory level, including joint angles and keypoint positions. The generative motion prior significantly enhances training stability and improves interpretability by offering detailed and dense guidance throughout the learning process. Experimental results in both simulation and real-world environments demonstrate that our method achieves superior motion naturalness compared to existing approaches. Project page can be found at https://sites.google.com/view/humanoid-gmp
Authors: Kei Takahashi, Hikaru Sasaki, Takamitsu Matsubara
Abstract: Imitation learning through a demonstration interface is expected to learn policies for robot automation from intuitive human demonstrations. However, due to the differences in human and robot movement characteristics, a human expert might unintentionally demonstrate an action that the robot cannot execute. We propose feasibility-aware behavior cloning from observation (FABCO). In the FABCO framework, the feasibility of each demonstration is assessed using the robot's pre-trained forward and inverse dynamics models. This feasibility information is provided as visual feedback to the demonstrators, encouraging them to refine their demonstrations. During policy learning, estimated feasibility serves as a weight for the demonstration data, improving both the data efficiency and the robustness of the learned policy. We experimentally validated FABCO's effectiveness by applying it to a pipette insertion task involving a pipette and a vial. Four participants assessed the impact of the feasibility feedback and the weighted policy learning in FABCO. Additionally, we used the NASA Task Load Index (NASA-TLX) to evaluate the workload induced by demonstrations with visual feedback.
Authors: Yifan Wang, Yifei Liu, Yingdong Shi, Changming Li, Anqi Pang, Sibei Yang, Jingyi Yu, Kan Ren
Abstract: Vision Transformer models exhibit immense power yet remain opaque to human understanding, posing challenges and risks for practical applications. While prior research has attempted to demystify these models through input attribution and neuron role analysis, there's been a notable gap in considering layer-level information and the holistic path of information flow across layers. In this paper, we investigate the significance of influential neuron paths within vision Transformers, which is a path of neurons from the model input to output that impacts the model inference most significantly. We first propose a joint influence measure to assess the contribution of a set of neurons to the model outcome. And we further provide a layer-progressive neuron locating approach that efficiently selects the most influential neuron at each layer trying to discover the crucial neuron path from input to output within the target model. Our experiments demonstrate the superiority of our method finding the most influential neuron path along which the information flows, over the existing baseline solutions. Additionally, the neuron paths have illustrated that vision Transformers exhibit some specific inner working mechanism for processing the visual information within the same image category. We further analyze the key effects of these neurons on the image classification task, showcasing that the found neuron paths have already preserved the model capability on downstream tasks, which may also shed some lights on real-world applications like model pruning. The project website including implementation code is available at https://foundation-model-research.github.io/NeuronPath/.
URLs: https://foundation-model-research.github.io/NeuronPath/.
Authors: Ryan K. Krueger, Sharon Aviran, David H. Mathews, Jeffrey Zuber, Max Ward
Abstract: The Nearest Neighbor model is the $\textit{de facto}$ thermodynamic model of RNA secondary structure formation and is a cornerstone of RNA structure prediction and sequence design. The current functional form (Turner 2004) contains $\approx13,000$ underlying thermodynamic parameters, and fitting these to both experimental and structural data is computationally challenging. Here, we leverage recent advances in $\textit{differentiable folding}$, a method for directly computing gradients of the RNA folding algorithms, to devise an efficient, scalable, and flexible means of parameter optimization that uses known RNA structures and thermodynamic experiments. Our method yields a significantly improved parameter set that outperforms existing baselines on all metrics, including an increase in the average predicted probability of ground-truth sequence-structure pairs for a single RNA family by over 23 orders of magnitude. Our framework provides a path towards drastically improved RNA models, enabling the flexible incorporation of new experimental data, definition of novel loss terms, large training sets, and even treatment as a module in larger deep learning pipelines. We make available a new database, RNAometer, with experimentally-determined stabilities for small RNA model systems.
Authors: Sehwan Kim, Rui Wang, Wenbin Lu
Abstract: In survival analysis, estimating the conditional survival function given predictors is often of interest. There is a growing trend in the development of deep learning methods for analyzing censored time-to-event data, especially when dealing with high-dimensional predictors that are complexly interrelated. Many existing deep learning approaches for estimating the conditional survival functions extend the Cox regression models by replacing the linear function of predictor effects by a shallow feed-forward neural network while maintaining the proportional hazards assumption. Their implementation can be computationally intensive due to the use of the full dataset at each iteration because the use of batch data may distort the at-risk set of the partial likelihood function. To overcome these limitations, we propose a novel deep learning approach to non-parametric estimation of the conditional survival functions using the generative adversarial networks leveraging self-consistent equations. The proposed method is model-free and does not require any parametric assumptions on the structure of the conditional survival function. We establish the convergence rate of our proposed estimator of the conditional survival function. In addition, we evaluate the performance of the proposed method through simulation studies and demonstrate its application on a real-world dataset.
Authors: Aidan Ferguson, Perry Gibson, Lara D'Agata, Parker McLeod, Ferhat Yaman, Amitabh Das, Ian Colbert, Jos\'e Cano
Abstract: The deployment of deep neural networks (DNNs) in privacy-sensitive environments is constrained by computational overheads in fully homomorphic encryption (FHE). This paper explores unstructured sparsity in FHE matrix multiplication schemes as a means of reducing this burden while maintaining model accuracy requirements. We demonstrate that sparsity can be exploited in arbitrary matrix multiplication, providing runtime benefits compared to a baseline naive algorithm at all sparsity levels. This is a notable departure from the plaintext domain, where there is a trade-off between sparsity and the overhead of the sparse multiplication algorithm. In addition, we propose three sparse multiplication schemes in FHE based on common plaintext sparse encodings. We demonstrate the performance gain is scheme-invariant; however, some sparse schemes vastly reduce the memory storage requirements of the encrypted matrix at high sparsity values. Our proposed sparse schemes yield an average performance gain of 2.5x at 50% unstructured sparsity, with our multi-threading scheme providing a 32.5x performance increase over the equivalent single-threaded sparse computation when utilizing 64 cores.
Authors: Jian-Jian Jiang, Xiao-Ming Wu, Yi-Xiang He, Ling-An Zeng, Yi-Lin Wei, Dandan Zhang, Wei-Shi Zheng
Abstract: Bimanual robotic manipulation is an emerging and critical topic in the robotics community. Previous works primarily rely on integrated control models that take the perceptions and states of both arms as inputs to directly predict their actions. However, we think bimanual manipulation involves not only coordinated tasks but also various uncoordinated tasks that do not require explicit cooperation during execution, such as grasping objects with the closest hand, which integrated control frameworks ignore to consider due to their enforced cooperation in the early inputs. In this paper, we propose a novel decoupled interaction framework that considers the characteristics of different tasks in bimanual manipulation. The key insight of our framework is to assign an independent model to each arm to enhance the learning of uncoordinated tasks, while introducing a selective interaction module that adaptively learns weights from its own arm to improve the learning of coordinated tasks. Extensive experiments on seven tasks in the RoboTwin dataset demonstrate that: (1) Our framework achieves outstanding performance, with a 23.5% boost over the SOTA method. (2) Our framework is flexible and can be seamlessly integrated into existing methods. (3) Our framework can be effectively extended to multi-agent manipulation tasks, achieving a 28% boost over the integrated control SOTA. (4) The performance boost stems from the decoupled design itself, surpassing the SOTA by 16.5% in success rate with only 1/6 of the model size.
Authors: Xudong Sun, Alex Markham, Pratik Misra, Carsten Marr
Abstract: Unbiased data synthesis is crucial for evaluating causal discovery algorithms in the presence of unobserved confounding, given the scarcity of real-world datasets. A common approach, implicit parameterization, encodes unobserved confounding by modifying the off-diagonal entries of the idiosyncratic covariance matrix while preserving positive definiteness. Within this approach, state-of-the-art protocols have two distinct issues that hinder unbiased sampling from the complete space of causal models: first, the use of diagonally dominant constructions, which restrict the spectrum of partial correlation matrices; and second, the restriction of possible graphical structures when sampling bidirected edges, unnecessarily ruling out valid causal models. To address these limitations, we propose an improved explicit modeling approach for unobserved confounding, leveraging block-hierarchical ancestral generation of ground truth causal graphs. Algorithms for converting the ground truth DAG into ancestral graph is provided so that the output of causal discovery algorithms could be compared with. We prove that our approach fully covers the space of causal models, including those generated by the implicit parameterization, thus enabling more robust evaluation of methods for causal discovery and inference.
Authors: Shuguang Chu, Zebin Huang, Yutong Li, Mingwei Lin, Ignacio Carlucho, Yvan R. Petillot, Canjun Yang
Abstract: This work presents the MarineGym, a high-performance reinforcement learning (RL) platform specifically designed for underwater robotics. It aims to address the limitations of existing underwater simulation environments in terms of RL compatibility, training efficiency, and standardized benchmarking. MarineGym integrates a proposed GPU-accelerated hydrodynamic plugin based on Isaac Sim, achieving a rollout speed of 250,000 frames per second on a single NVIDIA RTX 3060 GPU. It also provides five models of unmanned underwater vehicles (UUVs), multiple propulsion systems, and a set of predefined tasks covering core underwater control challenges. Additionally, the DR toolkit allows flexible adjustments of simulation and task parameters during training to improve Sim2Real transfer. Further benchmark experiments demonstrate that MarineGym improves training efficiency over existing platforms and supports robust policy adaptation under various perturbations. We expect this platform could drive further advancements in RL research for underwater robotics. For more details about MarineGym and its applications, please visit our project page: https://marine-gym.com/.
URLs: https://marine-gym.com/.
Authors: Omer Noy Klein, Alihan H\"uy\"uk, Ron Shamir, Uri Shalit, Mihaela van der Schaar
Abstract: Randomized Controlled Trials (RCTs) are the gold standard for evaluating the effect of new medical treatments. Treatments must pass stringent regulatory conditions in order to be approved for widespread use, yet even after the regulatory barriers are crossed, real-world challenges might arise: Who should get the treatment? What is its true clinical utility? Are there discrepancies in the treatment effectiveness across diverse and under-served populations? We introduce two new objectives for future clinical trials that integrate regulatory constraints and treatment policy value for both the entire population and under-served populations, thus answering some of the questions above in advance. Designed to meet these objectives, we formulate Randomize First Augment Next (RFAN), a new framework for designing Phase III clinical trials. Our framework consists of a standard randomized component followed by an adaptive one, jointly meant to efficiently and safely acquire and assign patients into treatment arms during the trial. Then, we propose strategies for implementing RFAN based on causal, deep Bayesian active learning. Finally, we empirically evaluate the performance of our framework using synthetic and real-world semi-synthetic datasets.
Authors: Leandro C. Souza, Renato Portugal
Abstract: This paper proposes a single-qudit quantum neural network for multiclass classification, by using the enhanced representational capacity of high-dimensional qudit states. Our design employs an $d$-dimensional unitary operator, where $d$ corresponds to the number of classes, constructed using the Cayley transform of a skew-symmetric matrix, to efficiently encode and process class information. This architecture enables a direct mapping between class labels and quantum measurement outcomes, reducing circuit depth and computational overhead. To optimize network parameters, we introduce a hybrid training approach that combines an extended activation function -- derived from a truncated multivariable Taylor series expansion -- with support vector machine optimization for weight determination. We evaluate our model on the MNIST and EMNIST datasets, demonstrating competitive accuracy while maintaining a compact single-qudit quantum circuit. Our findings highlight the potential of qudit-based QNNs as scalable alternatives to classical deep learning models, particularly for multiclass classification. However, practical implementation remains constrained by current quantum hardware limitations. This research advances quantum machine learning by demonstrating the feasibility of higher-dimensional quantum systems for efficient learning tasks.
Authors: Chiara Cappellino, Gianluca Mancusi, Matteo Mosconi, Angelo Porrello, Simone Calderara, Rita Cucchiara
Abstract: Open-Vocabulary object detectors can recognize a wide range of categories using simple textual prompts. However, improving their ability to detect rare classes or specialize in certain domains remains a challenge. While most recent methods rely on a single set of model weights for adaptation, we take a different approach by using modular deep learning. We introduce DitHub, a framework designed to create and manage a library of efficient adaptation modules. Inspired by Version Control Systems, DitHub organizes expert modules like branches that can be fetched and merged as needed. This modular approach enables a detailed study of how adaptation modules combine, making it the first method to explore this aspect in Object Detection. Our approach achieves state-of-the-art performance on the ODinW-13 benchmark and ODinW-O, a newly introduced benchmark designed to evaluate how well models adapt when previously seen classes reappear. For more details, visit our project page: https://aimagelab.github.io/DitHub/
Authors: Somsubhra De, Advait Vats
Abstract: The rise of Generative AI has led to a surge in AI-generated reviews, often posing a serious threat to the credibility of online platforms. Reviews serve as the primary source of information about products and services. Authentic reviews play a vital role in consumer decision-making. The presence of fabricated content misleads consumers, undermines trust and facilitates potential fraud in digital marketplaces. This study focuses on detecting AI-generated product reviews in Tamil and Malayalam, two low-resource languages where research in this domain is relatively under-explored. We worked on a range of approaches - from traditional machine learning methods to advanced transformer-based models such as Indic-BERT, IndicSBERT, MuRIL, XLM-RoBERTa and MalayalamBERT. Our findings highlight the effectiveness of leveraging the state-of-the-art transformers in accurately identifying AI-generated content, demonstrating the potential in enhancing the detection of fake reviews in low-resource language settings.
Authors: Robert Turnbull, Neil D. Young, Edoardo Tescari, Lee F. Skerratt, Tiffany A. Kosch
Abstract: Repetitive DNA sequences underpin genome architecture and evolutionary processes, yet they remain challenging to classify accurately. Terrier is a deep learning model designed to overcome these challenges by classifying repetitive DNA sequences using a publicly available, curated repeat sequence library trained under the RepeatMasker schema. Existing tools often struggle to classify divergent taxa due to biases in reference libraries, limiting our understanding of repeat evolution and function. Terrier overcomes these challenges by leveraging deep learning for improved accuracy. Trained on RepBase, which includes over 100,000 repeat families -- four times more than Dfam -- Terrier maps 97.1% of RepBase sequences to RepeatMasker categories, offering the most comprehensive classification system available. When benchmarked against DeepTE, TERL, and TEclass2 in model organisms (rice and fruit flies), Terrier achieved superior accuracy while classifying a broader range of sequences. Further validation in non-model amphibian and flatworm genomes highlights its effectiveness in improving classification in non-model species, facilitating research on repeat-driven evolution, genomic instability, and phenotypic variation.
Authors: Marvin Heidinger, Snehal Jauhri, Vignesh Prasad, Georgia Chalvatzaki
Abstract: When interacting with objects, humans effectively reason about which regions of objects are viable for an intended action, i.e., the affordance regions of the object. They can also account for subtle differences in object regions based on the task to be performed and whether one or two hands need to be used. However, current vision-based affordance prediction methods often reduce the problem to naive object part segmentation. In this work, we propose a framework for extracting affordance data from human activity video datasets. Our extracted 2HANDS dataset contains precise object affordance region segmentations and affordance class-labels as narrations of the activity performed. The data also accounts for bimanual actions, i.e., two hands co-ordinating and interacting with one or more objects. We present a VLM-based affordance prediction model, 2HandedAfforder, trained on the dataset and demonstrate superior performance over baselines in affordance region segmentation for various activities. Finally, we show that our predicted affordance regions are actionable, i.e., can be used by an agent performing a task, through demonstration in robotic manipulation scenarios.
Authors: Gorjan Radevski, Teodora Popordanoska, Matthew B. Blaschko, Tinne Tuytelaars
Abstract: Audio-visual understanding is a rapidly evolving field that seeks to integrate and interpret information from both auditory and visual modalities. Despite recent advances in multi-modal learning, existing benchmarks often suffer from strong visual bias -- where answers can be inferred from visual data alone -- and provide only aggregate scores that conflate multiple sources of error. This makes it difficult to determine whether models struggle with visual understanding, audio interpretation, or audio-visual alignment. In this work, we introduce DAVE (Diagnostic Audio Visual Evaluation), a novel benchmark dataset designed to systematically evaluate audio-visual models across controlled challenges. DAVE alleviates existing limitations by (i) ensuring both modalities are necessary to answer correctly and (ii) decoupling evaluation into atomic subcategories. Our detailed analysis of state-of-the-art models reveals specific failure modes and provides targeted insights for improvement. By offering this standardized diagnostic framework, we aim to facilitate more robust development of audio-visual models. The dataset is released: https://github.com/gorjanradevski/dave
Authors: Ferdaous Ait Addi, Abdeslem Hafid Bentbib, Khalide Jbilou
Abstract: Dictionary learning is a widely used technique in signal processing and machine learning that aims to represent data as a linear combination of a few elements from an overcomplete dictionary. In this work, we propose a generalization of the dictionary learning technique using the t-product framework, enabling efficient handling of multidimensional tensor data. We address the dictionary learning problem through online methods suitable for tensor structures. To effectively address the sparsity problem, we utilize an accelerated Iterative Shrinkage-Thresholding Algorithm (ISTA) enhanced with an extrapolation technique known as Anderson acceleration. This approach significantly improves signal reconstruction results. Extensive experiments prove that our proposed method outperforms existing acceleration techniques, particularly in applications such as data completion. These results suggest that our approach can be highly beneficial for large-scale tensor data analysis in various domains.
Authors: Katherine Dearstyne (Tony), Pedro (Tony), Alarcon Granadeno, Theodore Chambers, Jane Cleland-Huang
Abstract: Cyber-Physical Systems (CPS) often leverage Reinforcement Learning (RL) techniques to adapt dynamically to changing environments and optimize performance. However, it is challenging to construct safety cases for RL components. We therefore propose the SAFE-RL (Safety and Accountability Framework for Evaluating Reinforcement Learning) for supporting the development, validation, and safe deployment of RL-based CPS. We adopt a design science approach to construct the framework and demonstrate its use in three RL applications in small Uncrewed Aerial systems (sUAS)
Authors: Kexuan Wang, An Liu
Abstract: In XR downlink transmission, energy-efficient power scheduling (EEPS) is essential for conserving power resource while delivering large data packets within hard-latency constraints. Traditional constrained reinforcement learning (CRL) algorithms show promise in EEPS but still struggle with non-convex stochastic constraints, non-stationary data traffic, and sparse delayed packet dropout feedback (rewards) in XR. To overcome these challenges, this paper models the EEPS in XR as a dynamic parameter-constrained Markov decision process (DP-CMDP) with a varying transition function linked to the non-stationary data traffic and solves it by a proposed context-aware constrained reinforcement learning (CACRL) algorithm, which consists of a context inference (CI) module and a CRL module. The CI module trains an encoder and multiple potential networks to characterize the current transition function and reshape the packet dropout rewards according to the context, transforming the original DP-CMDP into a general CMDP with immediate dense rewards. The CRL module employs a policy network to make EEPS decisions under this CMDP and optimizes the policy using a constrained stochastic successive convex approximation (CSSCA) method, which is better suited for non-convex stochastic constraints. Finally, theoretical analyses provide deep insights into the CADAC algorithm, while extensive simulations demonstrate that it outperforms advanced baselines in both power conservation and satisfying packet dropout constraints.
Authors: Yilun Ge, Shuyao Liao, Shengqian Han, Chenyang Yang
Abstract: Incorporating mathematical properties of a wireless policy to be learned into the design of deep neural networks (DNNs) is effective for enhancing learning efficiency. Multi-user precoding policy in multi-antenna system, which is the mapping from channel matrix to precoding matrix, possesses a permutation equivariance property, which has been harnessed to design the parameter sharing structure of the weight matrix of DNNs. In this paper, we study a stronger property than permutation equivariance, namely unitary equivariance, for precoder learning. We first show that a DNN with unitary equivariance designed by further introducing parameter sharing into a permutation equivariant DNN is unable to learn the optimal precoder. We proceed to develop a novel non-linear weighting process satisfying unitary equivariance and then construct a joint unitary and permutation equivariant DNN. Simulation results demonstrate that the proposed DNN not only outperforms existing learning methods in learning performance and generalizability but also reduces training complexity.
Authors: Tobias Christian Nauen, Brian Moser, Federico Raue, Stanislav Frolov, Andreas Dengel
Abstract: Transformers, particularly Vision Transformers (ViTs), have achieved state-of-the-art performance in large-scale image classification. However, they often require large amounts of data and can exhibit biases that limit their robustness and generalizability. This paper introduces ForAug, a novel data augmentation scheme that addresses these challenges and explicitly includes inductive biases, which commonly are part of the neural network architecture, into the training data. ForAug is constructed by using pretrained foundation models to separate and recombine foreground objects with different backgrounds, enabling fine-grained control over image composition during training. It thus increases the data diversity and effective number of training samples. We demonstrate that training on ForNet, the application of ForAug to ImageNet, significantly improves the accuracy of ViTs and other architectures by up to 4.5 percentage points (p.p.) on ImageNet and 7.3 p.p. on downstream tasks. Importantly, ForAug enables novel ways of analyzing model behavior and quantifying biases. Namely, we introduce metrics for background robustness, foreground focus, center bias, and size bias and show that training on ForNet substantially reduces these biases compared to training on ImageNet. In summary, ForAug provides a valuable tool for analyzing and mitigating biases, enabling the development of more robust and reliable computer vision models. Our code and dataset are publicly available at https://github.com/tobna/ForAug.
Authors: Claudius Kienle, Benjamin Alt, Finn Schneider, Tobias Pertlwieser, Rainer J\"akel, Rania Rayyes
Abstract: Despite the widespread adoption of industrial robots in automotive assembly, wire harness installation remains a largely manual process, as it requires precise and flexible manipulation. To address this challenge, we design a novel AI-based framework that automates cable connector mating by integrating force control with deep visuotactile learning. Our system optimizes search-and-insertion strategies using first-order optimization over a multimodal transformer architecture trained on visual, tactile, and proprioceptive data. Additionally, we design a novel automated data collection and optimization pipeline that minimizes the need for machine learning expertise. The framework optimizes robot programs that run natively on standard industrial controllers, permitting human experts to audit and certify them. Experimental validations on a center console assembly task demonstrate significant improvements in cycle times and robustness compared to conventional robot programming approaches. Videos are available under https://claudius-kienle.github.io/AppMuTT.
Authors: Julian Spravil, Sebastian Houben, Sven Behnke
Abstract: Cross-lingual transfer enables vision-language models (VLMs) to perform vision tasks in various languages with training data only in one language. Current approaches rely on large pre-trained multilingual language models. However, they face the curse of multilinguality, sacrificing downstream task performance for multilingual capabilities, struggling with lexical ambiguities, and falling behind recent advances. In this work, we study the scaling laws of systematic generalization with monolingual VLMs for multilingual tasks, focusing on the impact of model size and seen training samples. We propose Florenz, a monolingual encoder-decoder VLM with 0.4B to 11.2B parameters combining the pre-trained VLM Florence-2 and the large language model Gemma-2. Florenz is trained with varying compute budgets on a synthetic dataset that features intentionally incomplete language coverage for image captioning, thus, testing generalization from the fully covered translation task. We show that not only does indirectly learning unseen task-language pairs adhere to a scaling law, but also that with our data generation pipeline and the proposed Florenz model family, image captioning abilities can emerge in a specific language even when only data for the translation task is available. Fine-tuning on a mix of downstream datasets yields competitive performance and demonstrates promising scaling trends in multimodal machine translation (Multi30K, CoMMuTE), lexical disambiguation (CoMMuTE), and image captioning (Multi30K, XM3600, COCO Karpathy).
Authors: Noel Naughton, Arman Tekinalp, Keshav Shivam, Seung Hung Kim, Volodymyr Kindratenko, Mattia Gazzola
Abstract: A long-standing engineering problem, the control of soft robots is difficult because of their highly non-linear, heterogeneous, anisotropic, and distributed nature. Here, bridging engineering and biology, a neural reservoir is employed for the dynamic control of a bio-hybrid model arm made of multiple muscle-tendon groups enveloping an elastic spine. We show how the use of reservoirs facilitates simultaneous control and self-modeling across a set of challenging tasks, outperforming classic neural network approaches. Further, by implementing a spiking reservoir on neuromorphic hardware, energy efficiency is achieved, with nearly two-orders of magnitude improvement relative to standard CPUs, with implications for the on-board control of untethered, small-scale soft robots.
Authors: Yunli Wang, Zhen Zhang, Zhiqiang Wang, Zixuan Yang, Yu Li, Jian Yang, Shiyang Wen, Peng Jiang, Kun Gai
Abstract: Cascade Ranking is a prevalent architecture in large-scale top-k selection systems like recommendation and advertising platforms. Traditional training methods focus on single-stage optimization, neglecting interactions between stages. Recent advances such as RankFlow and FS-LTR have introduced interaction-aware training paradigms but still struggle to 1) align training objectives with the goal of the entire cascade ranking (i.e., end-to-end recall) and 2) learn effective collaboration patterns for different stages. To address these challenges, we propose LCRON, which introduces a novel surrogate loss function derived from the lower bound probability that ground truth items are selected by cascade ranking, ensuring alignment with the overall objective of the system. According to the properties of the derived bound, we further design an auxiliary loss for each stage to drive the reduction of this bound, leading to a more robust and effective top-k selection. LCRON enables end-to-end training of the entire cascade ranking system as a unified network. Experimental results demonstrate that LCRON achieves significant improvement over existing methods on public benchmarks and industrial applications, addressing key limitations in cascade ranking training and significantly enhancing system performance.
Authors: Ziyu Wan, Yunxiang Li, Yan Song, Hanjing Wang, Linyi Yang, Mark Schmidt, Jun Wang, Weinan Zhang, Shuyue Hu, Ying Wen
Abstract: Recent research on Reasoning of Large Language Models (LLMs) has sought to further enhance their performance by integrating meta-thinking -- enabling models to monitor, evaluate, and control their reasoning processes for more adaptive and effective problem-solving. However, current single-agent work lacks a specialized design for acquiring meta-thinking, resulting in low efficacy. To address this challenge, we introduce Reinforced Meta-thinking Agents (ReMA), a novel framework that leverages Multi-Agent Reinforcement Learning (MARL) to elicit meta-thinking behaviors, encouraging LLMs to think about thinking. ReMA decouples the reasoning process into two hierarchical agents: a high-level meta-thinking agent responsible for generating strategic oversight and plans, and a low-level reasoning agent for detailed executions. Through iterative reinforcement learning with aligned objectives, these agents explore and learn collaboration, leading to improved generalization and robustness. Experimental results demonstrate that ReMA outperforms single-agent RL baselines on complex reasoning tasks, including competitive-level mathematical benchmarks and LLM-as-a-Judge benchmarks. Comprehensive ablation studies further illustrate the evolving dynamics of each distinct agent, providing valuable insights into how the meta-thinking reasoning process enhances the reasoning capabilities of LLMs.
Authors: Mingyang Liu, Gabriele Farina, Asuman Ozdaglar
Abstract: We study equilibrium finding in polymatrix games under differential privacy constraints. To start, we show that high accuracy and asymptotically vanishing differential privacy budget (as the number of players goes to infinity) cannot be achieved simultaneously under either of the two settings: (i) We seek to establish equilibrium approximation guarantees in terms of Euclidean distance to the equilibrium set, and (ii) the adversary has access to all communication channels. Then, assuming the adversary has access to a constant number of communication channels, we develop a novel distributed algorithm that recovers strategies with simultaneously vanishing Nash gap (in expected utility, also referred to as exploitability and privacy budget as the number of players increases.
Authors: Jialiang Geng, George Michailidis
Abstract: The paper studies the problem of detecting and locating change points in multivariate time-evolving data. The problem has a long history in statistics and signal processing and various algorithms have been developed primarily for simple parametric models. In this work, we focus on modeling the data through feed-forward neural networks and develop a detection strategy based on the following two-step procedure. In the first step, the neural network is trained over a prespecified window of the data, and its test error function is calibrated over another prespecified window. Then, the test error function is used over a moving window to identify the change point. Once a change point is detected, the procedure involving these two steps is repeated until all change points are identified. The proposed strategy yields consistent estimates for both the number and the locations of the change points under temporal dependence of the data-generating process. The effectiveness of the proposed strategy is illustrated on synthetic data sets that provide insights on how to select in practice tuning parameters of the algorithm and in real data sets. Finally, we note that although the detection strategy is general and can work with different neural network architectures, the theoretical guarantees provided are specific to feed-forward neural architectures.
Authors: Oskar van der Wal, Pietro Lesci, Max Muller-Eberstein, Naomi Saphra, Hailey Schoelkopf, Willem Zuidema, Stella Biderman
Abstract: The stability of language model pre-training and its effects on downstream performance are still understudied. Prior work shows that the training process can yield significantly different results in response to slight variations in initial conditions, e.g., the random seed. Crucially, the research community still lacks sufficient resources and tools to systematically investigate pre-training stability, particularly for decoder-only language models. We introduce the PolyPythias, a set of 45 new training runs for the Pythia model suite: 9 new seeds across 5 model sizes, from 14M to 410M parameters, resulting in about 7k new checkpoints that we release. Using these new 45 training runs, in addition to the 5 already available, we study the effects of different initial conditions determined by the seed -- i.e., parameters' initialisation and data order -- on (i) downstream performance, (ii) learned linguistic representations, and (iii) emergence of training phases. In addition to common scaling behaviours, our analyses generally reveal highly consistent training dynamics across both model sizes and initial conditions. Further, the new seeds for each model allow us to identify outlier training runs and delineate their characteristics. Our findings show the potential of using these methods to predict training stability.
Authors: Yiwei Chen, Amir Aghabiglou, Shijie Chen, Motahare Torki, Chao Tang, Ruud B. van Heeswijk, Yves Wiaux
Abstract: We introduce the R2D2 Deep Neural Network (DNN) series paradigm for fast and scalable image reconstruction from highly-accelerated non-Cartesian k-space acquisitions in Magnetic Resonance Imaging (MRI). While unrolled DNN architectures provide a robust image formation approach via data-consistency layers, embedding non-uniform fast Fourier transform operators in a DNN can become impractical to train at large scale, e.g in 2D MRI with a large number of coils, or for higher-dimensional imaging. Plug-and-play approaches that alternate a learned denoiser blind to the measurement setting with a data-consistency step are not affected by this limitation but their highly iterative nature implies slow reconstruction. To address this scalability challenge, we leverage the R2D2 paradigm that was recently introduced to enable ultra-fast reconstruction for large-scale Fourier imaging in radio astronomy. R2D2's reconstruction is formed as a series of residual images iteratively estimated as outputs of DNN modules taking the previous iteration's data residual as input. The method can be interpreted as a learned version of the Matching Pursuit algorithm. A series of R2D2 DNN modules were sequentially trained in a supervised manner on the fastMRI dataset and validated for 2D multi-coil MRI in simulation and on real data, targeting highly under-sampled radial k-space sampling. Results suggest that a series with only few DNNs achieves superior reconstruction quality over its unrolled incarnation R2D2-Net (whose training is also much less scalable), and over the state-of-the-art diffusion-based "Decomposed Diffusion Sampler" approach (also characterised by a slower reconstruction process).
Authors: Yingfa Chen, Yutong Wu, Xu Han, Zhiyuan Liu, Maosong Sun
Abstract: Building effective and efficient Transformer-based large language models (LLMs) has recently become a research focus, requiring maximizing model language capabilities and minimizing training and deployment costs. Existing efforts have primarily described complex relationships among model performance, parameter size, and data size, as well as searched for the optimal compute allocation to train LLMs. However, they overlook the impacts of context length and attention head configuration (the number of query and key-value heads in grouped-query attention) on training and inference. In this paper, we systematically compare models with different parameter sizes, context lengths, and attention head configurations in terms of model performance, computational cost, and memory cost. Then, we extend the existing scaling methods, which are based solely on parameter size and training compute, to guide the construction of cost-optimal LLMs during both training and inference. Our quantitative scaling studies show that, when processing sufficiently long sequences, a larger model with fewer attention heads can achieve a lower loss while incurring lower computational and memory costs. Our findings provide valuable insights for developing practical LLMs, especially in long-context processing scenarios. We will publicly release our code and data.
Authors: Nannan Wu, Zhuo Kuang, Zengqiang Yan, Ping Wang, Li Yu
Abstract: Despite the potential of federated learning in medical applications, inconsistent imaging quality across institutions-stemming from lower-quality data from a minority of clients-biases federated models toward more common high-quality images. This raises significant fairness concerns. Existing fair federated learning methods have demonstrated some effectiveness in solving this problem by aligning a single 0th- or 1st-order state of convergence (e.g., training loss or sharpness). However, we argue in this work that fairness based on such a single state is still not an adequate surrogate for fairness during testing, as these single metrics fail to fully capture the convergence characteristics, making them suboptimal for guiding fair learning. To address this limitation, we develop a generalized framework. Specifically, we propose assessing convergence using multiple states, defined as sharpness or perturbed loss computed at varying search distances. Building on this comprehensive assessment, we propose promoting fairness for these states across clients to achieve our ultimate fairness objective. This is accomplished through the proposed method, FedISM+. In FedISM+, the search distance evolves over time, progressively focusing on different states. We then incorporate two components in local training and global aggregation to ensure cross-client fairness for each state. This gradually makes convergence equitable for all states, thereby improving fairness during testing. Our empirical evaluations, performed on the well-known RSNA ICH and ISIC 2019 datasets, demonstrate the superiority of FedISM+ over existing state-of-the-art methods for fair federated learning. The code is available at https://github.com/wnn2000/FFL4MIA.
Authors: Armin Askari, Alexandre d'Aspremont, Laurent El Ghaoui
Abstract: Due to its linear complexity, naive Bayes classification remains an attractive supervised learning method, especially in very large-scale settings. We propose a sparse version of naive Bayes, which can be used for feature selection. This leads to a combinatorial maximum-likelihood problem, for which we provide an exact solution in the case of binary data, or a bound in the multinomial case. We prove that our convex relaxation bounds becomes tight as the marginal contribution of additional features decreases, using a priori duality gap bounds dervied from the Shapley-Folkman theorem. We show how to produce primal solutions satisfying these bounds. Both binary and multinomial sparse models are solvable in time almost linear in problem size, representing a very small extra relative cost compared to the classical naive Bayes. Numerical experiments on text data show that the naive Bayes feature selection method is as statistically effective as state-of-the-art feature selection methods such as recursive feature elimination, $l_1$-penalized logistic regression and LASSO, while being orders of magnitude faster.
Authors: Siguang Huang, Yunli Wang, Lili Mou, Huayue Zhang, Han Zhu, Chuan Yu, Bo Zheng
Abstract: Most machine learning classifiers only concern classification accuracy, while certain applications (such as medical diagnosis, meteorological forecasting, and computation advertising) require the model to predict the true probability, known as a calibrated estimate. In previous work, researchers have developed several calibration methods to post-process the outputs of a predictor to obtain calibrated values, such as binning and scaling methods. Compared with scaling, binning methods are shown to have distribution-free theoretical guarantees, which motivates us to prefer binning methods for calibration. However, we notice that existing binning methods have several drawbacks: (a) the binning scheme only considers the original prediction values, thus limiting the calibration performance; and (b) the binning approach is non-individual, mapping multiple samples in a bin to the same value, and thus is not suitable for order-sensitive applications. In this paper, we propose a feature-aware binning framework, called Multiple Boosting Calibration Trees (MBCT), along with a multi-view calibration loss to tackle the above issues. Our MBCT optimizes the binning scheme by the tree structures of features, and adopts a linear function in a tree node to achieve individual calibration. Our MBCT is non-monotonic, and has the potential to improve order accuracy, due to its learnable binning scheme and the individual calibration. We conduct comprehensive experiments on three datasets in different fields. Results show that our method outperforms all competing models in terms of both calibration error and order accuracy. We also conduct simulation experiments, justifying that the proposed multi-view calibration loss is a better metric in modeling calibration error.
Authors: Chun-Yin Huang, Ruinan Jin, Can Zhao, Daguang Xu, Xiaoxiao Li
Abstract: While Federated Learning (FL) is gaining popularity for training machine learning models in a decentralized fashion, numerous challenges persist, such as asynchronization, computational expenses, data heterogeneity, and gradient and membership privacy attacks. Lately, dataset distillation has emerged as a promising solution for addressing the aforementioned challenges by generating a compact synthetic dataset that preserves a model's training efficacy. However, we discover that using distilled local datasets can amplify the heterogeneity issue in FL. To address this, we propose Federated Learning on Virtual Heterogeneous Data with Local-Global Dataset Distillation (FedLGD), where we seamlessly integrate dataset distillation algorithms into FL pipeline and train FL using a smaller synthetic dataset (referred as virtual data). Specifically, to harmonize the domain shifts, we propose iterative distribution matching to inpaint global information to local virtual data and use federated gradient matching to distill global virtual data that serve as anchor points to rectify heterogeneous local training, without compromising data privacy. We experiment on both benchmark and real-world datasets that contain heterogeneous data from different sources, and further scale up to an FL scenario that contains a large number of clients with heterogeneous and class-imbalanced data. Our method outperforms state-of-the-art heterogeneous FL algorithms under various settings. Our code is available at https://github.com/ubc-tea/FedLGD.
Authors: Yifan Zhang, Jingqin Yang, Zhiquan Tan, Yang Yuan
Abstract: Semi-supervised learning has emerged as a pivotal approach for leveraging scarce labeled data alongside abundant unlabeled data. Despite significant progress, prevailing SSL methods predominantly enforce consistency between different augmented views of individual samples, thereby overlooking the rich relational structure inherent within a mini-batch. In this paper, we present RelationMatch, a novel SSL framework that explicitly enforces in-batch relational consistency through a Matrix Cross-Entropy (MCE) loss function. The proposed MCE loss is rigorously derived from both matrix analysis and information geometry perspectives, ensuring theoretical soundness and practical efficacy. Extensive empirical evaluations on standard benchmarks, including a notable 15.21% accuracy improvement over FlexMatch on STL-10, demonstrate that RelationMatch not only advances state-of-the-art performance but also provides a principled foundation for incorporating relational cues in SSL.
Authors: Puheng Li, Zhong Li, Huishuai Zhang, Jiang Bian
Abstract: Diffusion models are a class of generative models that serve to establish a stochastic transport map between an empirically observed, yet unknown, target distribution and a known prior. Despite their remarkable success in real-world applications, a theoretical understanding of their generalization capabilities remains underdeveloped. This work embarks on a comprehensive theoretical exploration of the generalization attributes of diffusion models. We establish theoretical estimates of the generalization gap that evolves in tandem with the training dynamics of score-based diffusion models, suggesting a polynomially small generalization error ($O(n^{-2/5}+m^{-4/5})$) on both the sample size $n$ and the model capacity $m$, evading the curse of dimensionality (i.e., not exponentially large in the data dimension) when early-stopped. Furthermore, we extend our quantitative analysis to a data-dependent scenario, wherein target distributions are portrayed as a succession of densities with progressively increasing distances between modes. This precisely elucidates the adverse effect of "modes shift" in ground truths on the model generalization. Moreover, these estimates are not solely theoretical constructs but have also been confirmed through numerical simulations. Our findings contribute to the rigorous understanding of diffusion models' generalization properties and provide insights that may guide practical applications.
Authors: Viggo Moro, Charlotte Loh, Rumen Dangovski, Ali Ghorashi, Andrew Ma, Zhuo Chen, Samuel Kim, Peter Y. Lu, Thomas Christensen, Marin Solja\v{c}i\'c
Abstract: Artificial intelligence is transforming computational materials science, improving the prediction of material properties, and accelerating the discovery of novel materials. Recently, publicly available material data repositories have grown rapidly. This growth encompasses not only more materials but also a greater variety and quantity of their associated properties. Existing machine learning efforts in materials science focus primarily on single-modality tasks, i.e. relationships between materials and a single physical property, thus not taking advantage of the rich and multimodal set of material properties. Here, we introduce Multimodal Learning for Materials (MultiMat), which enables self-supervised multi-modality training of foundation models for materials. We demonstrate our framework's potential using data from the Materials Project database on multiple axes: (i) MultiMat achieves state-of-the-art performance for challenging material property prediction tasks; (ii) MultiMat enables novel and accurate material discovery via latent space similarity, enabling screening for stable materials with desired properties; and (iii) MultiMat encodes interpretable emergent features that may provide novel scientific insights.
Authors: Kaiyu Song, Hanjiang Lai, Yan Pan, Kun Yue, Jian Yin
Abstract: Recently, diffusion-based test-time adaptations (TTA) have shown great advances, which leverage a diffusion model to map the images in the unknown test domain to the training domain. The unseen and diverse test domains make diffusion-based TTA an ill-posed problem. In this paper, we unravel two simple principles of the design tricks for diffusion-based methods. Intuitively, \textit{Principle 1} says semantic similarity preserving. We should preserve the semantic similarity between the original and generated test images. \textit{Principle 2} suggests minimal modifications. This principle enables the diffusion to map the test images to the training domain with minimal modifications of the test images. In particular, following the two principles, we propose our simple yet effective principle-guided diffusion-based test-time adaptation method (PDDA). Concretely, following Principle 1, we propose a semantic keeper, the method to preserve feature similarity, where the semantic keeper could filter the corruption introduced from the test domain, thus better preserving the semantics. Following Principle 2, we propose a modification keeper, where we introduce a regularization constraint into the generative process to minimize modifications to the test image. Meanwhile, there is a hidden conflict between the two principles. We further introduce the gradient-based view to unify the direction generated from two principles. Extensive experiments on CIFAR-10C, CIFAR-100C, ImageNet-W, and ImageNet-C with WideResNet-28-10, ResNet-50, Swin-T, and ConvNext-T demonstrate that PDDA significantly performs better than the complex state-of-the-art baselines. Specifically, PDDA achieves 2.4\% average accuracy improvements in ImageNet-C without any training process.
Authors: Maximilian B\"other, Abraham Sebastian, Pranjal Awasthi, Ana Klimovic, Srikumar Ramalingam
Abstract: Modern datasets span billions of samples, making training on all available data infeasible. Selecting a high quality subset helps in reducing training costs and enhancing model quality. Submodularity, a discrete analogue of convexity, is commonly used for solving such subset selection problems. However, existing algorithms for optimizing submodular functions are sequential, and the prior distributed methods require at least one central machine to fit the target subset in DRAM. At billion datapoint scale, even the subset may not fit a single machine, and the sequential algorithms are prohibitively slow. In this paper, we relax the requirement of having a central machine for the target subset by proposing a novel distributed bounding algorithm with provable approximation guarantees. The algorithm iteratively bounds the minimum and maximum utility values to select high quality points and discard the unimportant ones. When bounding does not find the complete subset, we use a multi-round, partition-based distributed greedy algorithm to identify the remaining subset. We discuss how to implement these algorithms in a distributed data processing framework and empirically analyze different configurations. We find high quality subsets on CIFAR-100 and ImageNet with marginal or no loss in quality compared to centralized methods, and scale to a dataset with 13 billion points.
Authors: Jamie Duell, Monika Seisenberger, Hsuan Fu, Xiuyi Fan
Abstract: Deep Neural Networks (DNNs) stand out as one of the most prominent approaches within the Machine Learning (ML) domain. The efficacy of DNNs has surged alongside recent increases in computational capacity, allowing these approaches to scale to significant complexities for addressing predictive challenges in big data. However, as the complexity of DNN models rises, interpretability diminishes. In response to this challenge, explainable models such as Adversarial Gradient Integration (AGI) leverage path-based gradients provided by DNNs to elucidate their decisions. Yet the performance of path-based explainers can be compromised when gradients exhibit irregularities during out-of-distribution path traversal. In this context, we introduce Quantified Uncertainty Counterfactual Explanations (QUCE), a method designed to mitigate out-of-distribution traversal by minimizing path uncertainty. QUCE not only quantifies uncertainty when presenting explanations but also generates more certain counterfactual examples. We showcase the performance of the QUCE method by comparing it with competing methods for both path-based explanations and generative counterfactual examples.
Authors: Marvin Pf\"ortner, Jonathan Wenger, Jon Cockayne, Philipp Hennig
Abstract: Kalman filtering and smoothing are the foundational mechanisms for efficient inference in Gauss-Markov models. However, their time and memory complexities scale prohibitively with the size of the state space. This is particularly problematic in spatiotemporal regression problems, where the state dimension scales with the number of spatial observations. Existing approximate frameworks leverage low-rank approximations of the covariance matrix. But since they do not model the error introduced by the computational approximation, their predictive uncertainty estimates can be overly optimistic. In this work, we propose a probabilistic numerical method for inference in high-dimensional Gauss-Markov models which mitigates these scaling issues. Our matrix-free iterative algorithm leverages GPU acceleration and crucially enables a tunable trade-off between computational cost and predictive uncertainty. Finally, we demonstrate the scalability of our method on a large-scale climate dataset.
Authors: Chun-Yin Huang, Kartik Srinivas, Xin Zhang, Xiaoxiao Li
Abstract: Conventional Federated Learning (FL) involves collaborative training of a global model while maintaining user data privacy. One of its branches, decentralized FL, is a serverless network that allows clients to own and optimize different local models separately, which results in saving management and communication resources. Despite the promising advancements in decentralized FL, it may reduce model generalizability due to lacking a global model. In this scenario, managing data and model heterogeneity among clients becomes a crucial problem, which poses a unique challenge that must be overcome: How can every client's local model learn generalizable representation in a decentralized manner? To address this challenge, we propose a novel Decentralized FL technique by introducing Synthetic Anchors, dubbed as DeSA. Based on the theory of domain adaptation and Knowledge Distillation (KD), we theoretically and empirically show that synthesizing global anchors based on raw data distribution facilitates mutual knowledge transfer. We further design two effective regularization terms for local training: 1) REG loss that regularizes the distribution of the client's latent embedding with the anchors and 2) KD loss that enables clients to learn from others. Through extensive experiments on diverse client data distributions, we showcase the effectiveness of DeSA in enhancing both inter- and intra-domain accuracy of each client.
Authors: Tejaram Sangadi, L. A. Prashanth, Krishna Jagannathan
Abstract: Motivated by applications in risk-sensitive reinforcement learning, we study mean-variance optimization in a discounted reward Markov Decision Process (MDP). Specifically, we analyze a Temporal Difference (TD) learning algorithm with linear function approximation (LFA) for policy evaluation. We derive finite-sample bounds that hold (i) in the mean-squared sense and (ii) with high probability under tail iterate averaging, both with and without regularization. Our bounds exhibit an exponentially decaying dependence on the initial error and a convergence rate of $O(1/t)$ after $t$ iterations. Moreover, for the regularized TD variant, our bound holds for a universal step size. Next, we integrate a Simultaneous Perturbation Stochastic Approximation (SPSA)-based actor update with an LFA critic and establish an $O(n^{-1/4})$ convergence guarantee, where $n$ denotes the iterations of the SPSA-based actor-critic algorithm. These results establish finite-sample theoretical guarantees for risk-sensitive actor-critic methods in reinforcement learning, with a focus on variance as a risk measure.
Authors: Jay Revolinsky, Harry Shomer, Jiliang Tang
Abstract: State-of-the-art link prediction (LP) models demonstrate impressive benchmark results. However, popular benchmark datasets often assume that training, validation, and testing samples are representative of the overall dataset distribution. In real-world situations, this assumption is often incorrect; uncontrolled factors lead new dataset samples to come from a different distribution than training samples. Additionally, the majority of recent work with graph dataset shift focuses on node- and graph-level tasks, largely ignoring link-level tasks. To bridge this gap, we introduce a novel splitting strategy, known as LPShift, which utilizes structural properties to induce a controlled distribution shift. We verify LPShift's effect through empirical evaluation of SOTA LP models on 16 LPShift variants of original dataset splits, with results indicating drastic changes to model performance. Additional experiments demonstrate graph structure has a strong influence on the success of current generalization methods. Source Code Available Here: https://github.com/revolins/LPShift
Authors: Zhiwei Zhang, Minhua Lin, Junjie Xu, Zongyu Wu, Enyan Dai, Suhang Wang
Abstract: Graph Neural Networks (GNNs) have achieved promising results in tasks such as node classification and graph classification. However, recent studies reveal that GNNs are vulnerable to backdoor attacks, posing a significant threat to their real-world adoption. Despite initial efforts to defend against specific graph backdoor attacks, there is no work on defending against various types of backdoor attacks where generated triggers have different properties. Hence, we first empirically verify that prediction variance under edge dropping is a crucial indicator for identifying poisoned nodes. With this observation, we propose using random edge dropping to detect backdoors and theoretically show that it can efficiently distinguish poisoned nodes from clean ones. Furthermore, we introduce a novel robust training strategy to efficiently counteract the impact of the triggers. Extensive experiments on real-world datasets show that our framework can effectively identify poisoned nodes, significantly degrade the attack success rate, and maintain clean accuracy when defending against various types of graph backdoor attacks with different properties.
Authors: Max Klabunde, Tassilo Wald, Tobias Schumacher, Klaus Maier-Hein, Markus Strohmaier, Florian Lemmerich
Abstract: Measuring the similarity of different representations of neural architectures is a fundamental task and an open research challenge for the machine learning community. This paper presents the first comprehensive benchmark for evaluating representational similarity measures based on well-defined groundings of similarity. The representational similarity (ReSi) benchmark consists of (i) six carefully designed tests for similarity measures, (ii) 24 similarity measures, (iii) 14 neural network architectures, and (iv) seven datasets, spanning over the graph, language, and vision domains. The benchmark opens up several important avenues of research on representational similarity that enable novel explorations and applications of neural architectures. We demonstrate the utility of the ReSi benchmark by conducting experiments on various neural network architectures, real world datasets and similarity measures. All components of the benchmark are publicly available and thereby facilitate systematic reproduction and production of research results. The benchmark is extensible, future research can build on and further expand it. We believe that the ReSi benchmark can serve as a sound platform catalyzing future research that aims to systematically evaluate existing and explore novel ways of comparing representations of neural architectures.
Authors: David Denisov, Dan Feldman, Shlomi Dolev, Michael Segal
Abstract: We suggest efficient and provable methods to compute an approximation for imbalanced point clustering, that is, fitting $k$-centers to a set of points in $\mathbb{R}^d$, for any $d,k\geq 1$. To this end, we utilize \emph{coresets}, which, in the context of the paper, are essentially weighted sets of points in $\mathbb{R}^d$ that approximate the fitting loss for every model in a given set, up to a multiplicative factor of $1\pm\varepsilon$. We provide [Section 3 and Section E in the appendix] experiments that show the empirical contribution of our suggested methods for real images (novel and reference), synthetic data, and real-world data. We also propose choice clustering, which by combining clustering algorithms yields better performance than each one separately.
Authors: Julian Carvajal Rico, Adel Alaeddini, Syed Hasib Akhter Faruqui, Susan P Fisher-Hoch, Joseph B Mccormick
Abstract: Predicting the emergence of multiple chronic conditions (MCC) is crucial for early intervention and personalized healthcare, as MCC significantly impacts patient outcomes and healthcare costs. Graph neural networks (GNNs) are effective methods for modeling complex graph data, such as those found in MCC. However, a significant challenge with GNNs is their reliance on an existing graph structure, which is not readily available for MCC. To address this challenge, we propose a novel generative framework for GNNs that constructs a representative underlying graph structure by utilizing the distribution of the data to enhance predictive analytics for MCC. Our framework employs a graph variational autoencoder (GVAE) to capture the complex relationships in patient data. This allows for a comprehensive understanding of individual health trajectories and facilitates the creation of diverse patient stochastic similarity graphs while preserving the original feature set. These variations of patient stochastic similarity graphs, generated from the GVAE decoder, are then processed by a GNN using a novel Laplacian regularization technique to refine the graph structure over time and improves the prediction accuracy of MCC. A contextual Bandit is designed to evaluate the stochastically generated graphs and identify the best-performing graph for the GNN model iteratively until model convergence. We validate the performance of the proposed contextual Bandit algorithm against $\varepsilon$-Greedy and multi-armed Bandit algorithms on a large cohort (n = 1,592) of patients with MCC. These advancements highlight the potential of the proposed approach to transform predictive healthcare analytics, enabling a more personalized and proactive approach to MCC management.
Authors: Eddie Seabrook, Laurenz Wiskott
Abstract: Slow feature analysis (SFA) is an unsupervised method for extracting representations from time series data. The successor representation (SR) is a method for representing states in a Markov decision process (MDP) based on transition statistics. While SFA and SR stem from distinct areas of machine learning, they share important properties, both in terms of their mathematics and the types of information they are sensitive to. This work studies their connection along these two axes. In particular, both SFA and SR are explored analytically, and in the setting of a one-hot encoded MDP, a formal equivalence is demonstrated in terms of the grid-like representations that occur as solutions/eigenvectors. Moreover, it is shown that the columns of the matrices involved in SFA contain place-like representations, which are formally distinct from place-cell models that have already been defined using SFA.
Authors: Xuanrui Zeng
Abstract: One recent research demonstrated successful application of the label alignment property for unsupervised domain adaptation in a linear regression settings. Instead of regularizing representation learning to be domain invariant, the research proposed to regularize the linear regression model to align with the top singular vectors of the data matrix from the target domain. In this work we expand upon this idea and generalize it to the case of deep learning, where we derive an alternative formulation of the original adaptation algorithm exploiting label alignment suitable for deep neural network. We also perform experiments to demonstrate that our approach achieves comparable performance to mainstream unsupervised domain adaptation methods while having stabler convergence. All experiments and implementations in our work can be found at the following codebase: https://github.com/xuanrui-work/DeepLabelAlignment.
Authors: Zihao Zhou, Rose Yu
Abstract: Large Language Models (LLMs) have gained popularity in time series forecasting, but their potential for anomaly detection remains largely unexplored. Our study investigates whether LLMs can understand and detect anomalies in time series data, focusing on zero-shot and few-shot scenarios. Inspired by conjectures about LLMs' behavior from time series forecasting research, we formulate key hypotheses about LLMs' capabilities in time series anomaly detection. We design and conduct principled experiments to test each of these hypotheses. Our investigation reveals several surprising findings about LLMs for time series: (1) LLMs understand time series better as images rather than as text, (2) LLMs do not demonstrate enhanced performance when prompted to engage in explicit reasoning about time series analysis. (3) Contrary to common beliefs, LLMs' understanding of time series does not stem from their repetition biases or arithmetic abilities. (4) LLMs' behaviors and performance in time series analysis vary significantly across different models. This study provides the first comprehensive analysis of contemporary LLM capabilities in time series anomaly detection. Our results suggest that while LLMs can understand trivial time series anomalies, we have no evidence that they can understand more subtle real-world anomalies. Many common conjectures based on their reasoning capabilities do not hold. All synthetic dataset generators, final prompts, and evaluation scripts have been made available in https://github.com/rose-stl-lab/anomllm.
Authors: Kawisorn Kamtue, Jose M. F. Moura, Orathai Sangpetch
Abstract: Can neural networks solve math problems using first a principle alone? This paper shows how to leverage the fundamental theorem of the calculus of variations to design deep neural networks to solve functional optimization without requiring training data (e.g., ground-truth optimal solutions). Our approach is particularly crucial when the solution is a function defined over an unknown interval or support\textemdash such as in minimum-time control problems. By incorporating the necessary conditions satisfied by the optimal function solution, as derived from the calculus of variation, in the design of the deep architecture, CalVNet leverages overparameterized neural networks to learn these optimal functions directly. We validate CalVNet by showing that, without relying on ground-truth data and simply incorporating first principles, it successfully derives the Kalman filter for linear filtering, the bang-bang optimal control for minimum-time problems, and finds geodesics on manifolds. Our results demonstrate that CalVNet can be trained in an unsupervised manner, without relying on ground-truth data, establishing a promising framework for addressing general, potentially unsolved functional optimization problems that still lack analytical solutions.
Authors: Javier Mar\'in
Abstract: This paper presents a novel credit scoring approach using neural networks to address class imbalance and out-of-time prediction challenges. We develop a specific optimizer and loss function inspired by Hamiltonian mechanics that better captures credit risk dynamics. Testing on the Freddie Mac Single-Family Loan-Level Dataset shows our model achieves superior discriminative power (AUC) in out-of-time scenarios compared to conventional methods. The approach has consistent performance between in-sample and future test sets, maintaining reliability across time periods. This interdisciplinary method spans physical systems theory and financial risk management, offering practical advantages for long-term model stability.
Authors: Mehdi Yazdani-Jahromi, Mangal Prakash, Tommaso Mansi, Artem Moskalev, Rui Liao
Abstract: Messenger RNA (mRNA) plays a crucial role in protein synthesis, with its codon structure directly impacting biological properties. While Language Models (LMs) have shown promise in analyzing biological sequences, existing approaches fail to account for the hierarchical nature of mRNA's codon structure. We introduce Hierarchical Encoding for mRNA Language Modeling (HELM), a novel pre-training strategy that incorporates codon-level hierarchical structure into language model training. HELM modulates the loss function based on codon synonymity, aligning the model's learning process with the biological reality of mRNA sequences. We evaluate HELM on diverse mRNA datasets and tasks, demonstrating that HELM outperforms standard language model pre-training as well as existing foundation model baselines on seven diverse downstream property prediction tasks and an antibody region annotation tasks on average by around 8%. Additionally, HELM enhances the generative capabilities of language model, producing diverse mRNA sequences that better align with the underlying true data distribution compared to non-hierarchical baselines.
Authors: Renpu Liu, Ruida Zhou, Cong Shen, Jing Yang
Abstract: An intriguing property of the Transformer is its ability to perform in-context learning (ICL), where the Transformer can solve different inference tasks without parameter updating based on the contextual information provided by the corresponding input-output demonstration pairs. It has been theoretically proved that ICL is enabled by the capability of Transformers to perform gradient-descent algorithms (Von Oswald et al., 2023a; Bai et al., 2024). This work takes a step further and shows that Transformers can perform learning-to-optimize (L2O) algorithms. Specifically, for the ICL sparse recovery (formulated as LASSO) tasks, we show that a K-layer Transformer can perform an L2O algorithm with a provable convergence rate linear in K. This provides a new perspective explaining the superior ICL capability of Transformers, even with only a few layers, which cannot be achieved by the standard gradient-descent algorithms. Moreover, unlike the conventional L2O algorithms that require the measurement matrix involved in training to match that in testing, the trained Transformer is able to solve sparse recovery problems generated with different measurement matrices. Besides, Transformers as an L2O algorithm can leverage structural information embedded in the training tasks to accelerate its convergence during ICL, and generalize across different lengths of demonstration pairs, where conventional L2O algorithms typically struggle or fail. Such theoretical findings are supported by our experimental results.
Authors: Jamie Hayes, Marika Swanberg, Harsh Chaudhari, Itay Yona, Ilia Shumailov, Milad Nasr, Christopher A. Choquette-Choo, Katherine Lee, A. Feder Cooper
Abstract: Large language models (LLMs) are susceptible to memorizing training data, raising concerns about the potential extraction of sensitive information at generation time. Discoverable extraction is the most common method for measuring this issue: split a training example into a prefix and suffix, then prompt the LLM with the prefix, and deem the example extractable if the LLM generates the matching suffix using greedy sampling. This definition yields a yes-or-no determination of whether extraction was successful with respect to a single query. Though efficient to compute, we show that this definition is unreliable because it does not account for non-determinism present in more realistic (non-greedy) sampling schemes, for which LLMs produce a range of outputs for the same prompt. We introduce probabilistic discoverable extraction, which, without additional cost, relaxes discoverable extraction by considering multiple queries to quantify the probability of extracting a target sequence. We evaluate our probabilistic measure across different models, sampling schemes, and training-data repetitions, and find that this measure provides more nuanced information about extraction risk compared to traditional discoverable extraction.
Authors: Davin Hill, Josh Bone, Aria Masoomi, Max Torop, Jennifer Dy
Abstract: Explainability methods are often challenging to evaluate and compare. With a multitude of explainers available, practitioners must often compare and select explainers based on quantitative evaluation metrics. One particular differentiator between explainers is the diversity of explanations for a given dataset; i.e. whether all explanations are identical, unique and uniformly distributed, or somewhere between these two extremes. In this work, we define a complexity measure for explainers, globalness, which enables deeper understanding of the distribution of explanations produced by feature attribution and feature selection methods for a given dataset. We establish the axiomatic properties that any such measure should possess and prove that our proposed measure, Wasserstein Globalness, meets these criteria. We validate the utility of Wasserstein Globalness using image, tabular, and synthetic datasets, empirically showing that it both facilitates meaningful comparison between explainers and improves the selection process for explainability methods.
Authors: Jiaojiao Zhang, Linglingzhi Zhu, Dominik Fay, Mikael Johansson
Abstract: We introduce a locally differentially private (LDP) algorithm for online federated learning that employs temporally correlated noise to improve utility while preserving privacy. To address challenges posed by the correlated noise and local updates with streaming non-IID data, we develop a perturbed iterate analysis that controls the impact of the noise on the utility. Moreover, we demonstrate how the drift errors from local updates can be effectively managed for several classes of nonconvex loss functions. Subject to an $(\epsilon,\delta)$-LDP budget, we establish a dynamic regret bound that quantifies the impact of key parameters and the intensity of changes in the dynamic environment on the learning performance. Numerical experiments confirm the efficacy of the proposed algorithm.
Authors: Jinqi Xiao, Shen Sang, Tiancheng Zhi, Jing Liu, Qing Yan, Yuqian Zhang, Linjie Luo, Bo Yuan
Abstract: Training large-scale neural networks in vision, and multimodal domains demands substantial memory resources, primarily due to the storage of optimizer states. While LoRA, a popular parameter-efficient method, reduces memory usage, it often suffers from suboptimal performance due to the constraints of low-rank updates. Low-rank gradient projection methods (e.g., GaLore, Flora) reduce optimizer memory by projecting gradients and moment estimates into low-rank spaces via singular value decomposition or random projection. However, they fail to account for inter-projection correlation, causing performance degradation, and their projection strategies often incur high computational costs. In this paper, we present COAP (Correlation-Aware Gradient Projection), a memory-efficient method that minimizes computational overhead while maintaining training performance. Evaluated across various vision, language, and multimodal tasks, COAP outperforms existing methods in both training speed and model performance. For LLaMA-1B, it reduces optimizer memory by 61% with only 2% additional time cost, achieving the same PPL as AdamW. With 8-bit quantization, COAP cuts optimizer memory by 81% and achieves 4x speedup over GaLore for LLaVA-v1.5-7B fine-tuning, while delivering higher accuracy.
Authors: Wenxuan Sun, Zixuan Yang, Yunli Wang, Zhen Zhang, Zhiqiang Wang, Yu Li, Jian Yang, Yiming Yang, Shiyang Wen, Peng Jiang, Kun Gai
Abstract: Advertising systems often face the multi-domain challenge, where data distributions vary significantly across scenarios. Existing domain adaptation methods primarily focus on building domain-adaptive neural networks but often rely on hand-crafted domain information, e.g., advertising placement, which may be sub-optimal. We think that fine-grained "domain" patterns exist that are difficult to hand-craft in online advertisement. Thus, we propose Adaptive$^2$, a novel framework that first learns domains adaptively using a domain mining module by self-supervision and then employs a shared&specific network to model shared and conflicting information. As a practice, we use VQ-VAE as the domain mining module and conduct extensive experiments on public benchmarks. Results show that traditional domain adaptation methods with hand-crafted domains perform no better than single-domain models under fair FLOPS conditions, highlighting the importance of domain definition. In contrast, Adaptive$^2$ outperforms existing approaches, emphasizing the effectiveness of our method and the significance of domain mining. We also deployed Adaptive$^2$ in the live streaming scenario of Kuaishou Advertising System, demonstrating its commercial value and potential for automatic domain identification. To the best of our knowledge, Adaptive$^2$ is the first approach to automatically learn both domain identification and adaptation in online advertising, opening new research directions for this area.
Authors: Jingyang Li, Kuangyu Ding, Kim-Chuan Toh, Pan Zhou
Abstract: Preconditioned stochastic optimization algorithms, exemplified by Shampoo, outperform first-order optimizers by offering theoretical convergence benefits and practical gains in large-scale neural network training. However, they incur substantial memory overhead due to the storage demands of non-diagonal preconditioning matrices. To address this, we introduce 4-bit quantization for Shampoo's preconditioners. We introduce two key methods: First, we apply Cholesky decomposition followed by quantization of the Cholesky factors, reducing memory usage by leveraging their lower triangular structure while better preserving spectral properties to minimize information loss. To our knowledge, this is the first quantization approach applied to Cholesky factors of preconditioners. Second, we incorporate error feedback in the quantization process, efficiently storing Cholesky factor and error state in the lower and upper triangular parts of the same matrix. Through extensive experiments, we demonstrate that combining Cholesky quantization with error feedback enhances memory efficiency and algorithm performance in large-scale deep-learning tasks. Theoretically, we also provide convergence proofs for quantized Shampoo under both smooth and non-smooth stochastic optimization settings.
Authors: Reza Shirkavand, Peiran Yu, Shangqian Gao, Gowthami Somepalli, Tom Goldstein, Heng Huang
Abstract: Recent advances in diffusion generative models have yielded remarkable progress. While the quality of generated content continues to improve, these models have grown considerably in size and complexity. This increasing computational burden poses significant challenges, particularly in resource-constrained deployment scenarios such as mobile devices. The combination of model pruning and knowledge distillation has emerged as a promising solution to reduce computational demands while preserving generation quality. However, this technique inadvertently propagates undesirable behaviors, including the generation of copyrighted content and unsafe concepts, even when such instances are absent from the fine-tuning dataset. In this paper, we propose a novel bilevel optimization framework for pruned diffusion models that consolidates the fine-tuning and unlearning processes into a unified phase. Our approach maintains the principal advantages of distillation-namely, efficient convergence and style transfer capabilities-while selectively suppressing the generation of unwanted content. This plug-in framework is compatible with various pruning and concept unlearning methods, facilitating efficient, safe deployment of diffusion models in controlled environments.
Authors: Shihao Shao, Yikang Li, Zhouchen Lin, Qinghua Cui
Abstract: Irreducible Cartesian tensors (ICTs) play a crucial role in the design of equivariant graph neural networks, as well as in theoretical chemistry and chemical physics. Meanwhile, the design space of available linear operations on tensors that preserve symmetry presents a significant challenge. The ICT decomposition and a basis of this equivariant space are difficult to obtain for high-rank tensors. After decades of research, Bonvicini (2024) recently achieves an explicit ICT decomposition for $n=5$ with factorial time/space complexity. In this work we, for the first time, obtains decomposition matrices for ICTs up to rank $n=9$ with reduced and affordable complexity, by constructing what we call path matrices. The path matrices are obtained via performing chain-like contractions with Clebsch-Gordan matrices following the parentage scheme. We prove and leverage that the concatenation of path matrices is an orthonormal change-of-basis matrix between the Cartesian tensor product space and the spherical direct sum spaces. Furthermore, we identify a complete orthogonal basis for the equivariant space, rather than a spanning set (Pearce-Crump, 2023), through this path matrices technique. To the best of our knowledge, this is also the first analytic, rather than numerical, method for theoretically obtaining arbitrary rank orthogonal ICT decomposition matrices and orthogonal equivariant bases. We further extend our result to the arbitrary tensor product and direct sum spaces, enabling free design between different spaces while keeping symmetry. The Python code is available at https://github.com/ShihaoShao-GH/ICT-decomposition-and-equivariant-bases, where the $n=6,\dots,9$ ICT decomposition matrices are obtained in 1s, 3s, 11s, and 4m32s on 28-cores Intel(R) Xeon(R) Gold 6330 CPU @ 2.00GHz, respectively.
URLs: https://github.com/ShihaoShao-GH/ICT-decomposition-and-equivariant-bases,
Authors: Eric Hirsch, Christian Friedrich
Abstract: Accurate tool wear prediction is essential for maintaining productivity and minimizing costs in machining. However, the complex nature of the tool wear process poses significant challenges to achieving reliable predictions. This study explores data-driven methods, in particular deep learning, for tool wear prediction. Traditional data-driven approaches often focus on a single process, relying on multi-sensor setups and extensive data generation, which limits generalization to new settings. Moreover, multi-sensor integration is often impractical in industrial environments. To address these limitations, this research investigates the transferability of predictive models using minimal training data, validated across two processes. Furthermore, it uses a simple setup with a single acceleration sensor to establish a low-cost data generation approach that facilitates the generalization of models to other processes via transfer learning. The study evaluates several machine learning models, including transformer-inspired convolutional neural networks (CNN), long short-term memory networks (LSTM), support vector machines (SVM), and decision trees, trained on different input formats such as feature vectors and short-time Fourier transform (STFT). The performance of the models is evaluated on two machines and on different amounts of training data, including scenarios with significantly reduced datasets, providing insight into their effectiveness under constrained data conditions. The results demonstrate the potential of specific models and configurations for effective tool wear prediction, contributing to the development of more adaptable and efficient predictive maintenance strategies in machining. Notably, the ConvNeXt model has an exceptional performance, achieving 99.1\% accuracy in identifying tool wear using data from only four milling tools operated until they are worn.
Authors: Shuhei Watanabe
Abstract: Gaussian process (GP) is arguably one of the most widely used machine learning algorithms in practice. One of its prominent applications is Bayesian optimization (BO). Although the vanilla GP itself is already a powerful tool for BO, it is often beneficial to be able to consider the dependencies of multiple outputs. To do so, Multi-task GP (MTGP) is formulated, but it is not trivial to fully understand the derivations of its formulations and their gradients from the previous literature. This paper serves friendly derivations of the MTGP formulations and their gradients.
Authors: Niloufar Zakariaei, Shadab Ahamed, Eldad Haber, Moshe Eliasof
Abstract: Stochastic Gradient Descent (SGD) is the foundation of modern deep learning optimization but becomes increasingly inefficient when training convolutional neural networks (CNNs) on high-resolution data. This paper introduces Multiscale Stochastic Gradient Descent (Multiscale-SGD), a novel optimization approach that exploits coarse-to-fine training strategies to estimate the gradient at a fraction of the cost, improving the computational efficiency of SGD type methods while preserving model accuracy. We derive theoretical criteria for Multiscale-SGD to be effective, and show that while standard convolutions can be used, they can be suboptimal for noisy data. This leads us to introduce a new class of learnable, scale-independent Mesh-Free Convolutions (MFCs) that ensure consistent gradient behavior across resolutions, making them well-suited for multiscale training. Through extensive empirical validation, we demonstrate that in practice, (i) our Multiscale-SGD approach can be used to train various architectures for a variety of tasks, and (ii) when the noise is not significant, standard convolutions benefit from our multiscale training framework. Our results establish a new paradigm for the efficient training of deep networks, enabling practical scalability in high-resolution and multiscale learning tasks.
Authors: Shaan Pakala, Dawon Ahn, Evangelos Papalexakis
Abstract: When designing materials to optimize certain properties, there are often many possible configurations of designs that need to be explored. For example, the materials' composition of elements will affect properties such as strength or conductivity, which are necessary to know when developing new materials. Exploring all combinations of elements to find optimal materials becomes very time consuming, especially when there are more design variables. For this reason, there is growing interest in using machine learning (ML) to predict a material's properties. In this work, we model the optimization of certain material properties as a tensor completion problem, to leverage the structure of our datasets and navigate the vast number of combinations of material configurations. Across a variety of material property prediction tasks, our experiments show tensor completion methods achieving 10-20% decreased error compared with baseline ML models such as GradientBoosting and Multilayer Perceptron (MLP), while maintaining similar training speed.
Authors: Calvin Osborne, Eliza O'Reilly
Abstract: Random feature maps are used to decrease the computational cost of kernel machines in large-scale problems. The Mondrian kernel is one such example of a fast random feature approximation of the Laplace kernel, generated by a computationally efficient hierarchical random partition of the input space known as the Mondrian process. In this work, we study a variation of this random feature map by applying a uniform random rotation to the input space before running the Mondrian process to approximate a kernel that is invariant under rotations. We obtain a closed-form expression for the isotropic kernel that is approximated, as well as a uniform convergence rate of the uniformly rotated Mondrian kernel to this limit. To this end, we utilize techniques from the theory of stationary random tessellations in stochastic geometry and prove a new result on the geometry of the typical cell of the superposition of uniformly rotated Mondrian tessellations. Finally, we test the empirical performance of this random feature map on both synthetic and real-world datasets, demonstrating its improved performance over the Mondrian kernel on a dataset that is debiased from the standard coordinate axes.
Authors: Joshua Hang Sai Ip, Ankush Chakrabarty, Ali Mesbah, Diego Romeres
Abstract: Incorporating user preferences into multi-objective Bayesian optimization (MOBO) allows for personalization of the optimization procedure. Preferences are often abstracted in the form of an unknown utility function, estimated through pairwise comparisons of potential outcomes. However, utility-driven MOBO methods can yield solutions that are dominated by nearby solutions, as non-dominance is not enforced. Additionally, classical MOBO commonly relies on estimating the entire Pareto-front to identify the Pareto-optimal solutions, which can be expensive and ignore user preferences. Here, we present a new method, termed preference-utility-balanced MOBO (PUB-MOBO), that allows users to disambiguate between near-Pareto candidate solutions. PUB-MOBO combines utility-based MOBO with local multi-gradient descent to refine user-preferred solutions to be near-Pareto-optimal. To this end, we propose a novel preference-dominated utility function that concurrently preserves user-preferences and dominance amongst candidate solutions. A key advantage of PUB-MOBO is that the local search is restricted to a (small) region of the Pareto-front directed by user preferences, alleviating the need to estimate the entire Pareto-front. PUB-MOBO is tested on three synthetic benchmark problems: DTLZ1, DTLZ2 and DH1, as well as on three real-world problems: Vehicle Safety, Conceptual Marine Design, and Car Side Impact. PUB-MOBO consistently outperforms state-of-the-art competitors in terms of proximity to the Pareto-front and utility regret across all the problems.
Authors: Shoma Yokura, Akihisa Ichiki
Abstract: Binary classification is a task that involves the classification of data into one of two distinct classes. It is widely utilized in various fields. However, conventional classifiers tend to make overconfident predictions for data that belong to overlapping regions of the two class distributions or for data outside the distributions (out-of-distribution data). Therefore, conventional classifiers should not be applied in high-risk fields where classification results can have significant consequences. In order to address this issue, it is necessary to quantify uncertainty and adopt decision-making approaches that take it into account. Many methods have been proposed for this purpose; however, implementing these methods often requires performing resampling, improving the structure or performance of models, and optimizing the thresholds of classifiers. We propose a new decision-making approach using two types of hypothesis testing. This method is capable of detecting ambiguous data that belong to the overlapping regions of two class distributions, as well as out-of-distribution data that are not included in the training data distribution. In addition, we quantify uncertainty using the empirical distribution of feature values derived from the training data obtained through the trained model. The classification threshold is determined by the $\alpha$-quantile and ($1-\alpha$)-quantile, where the significance level $\alpha$ is set according to each specific situation.
Authors: Daniel Koutas, Daniel Hettegger, Kostas G. Papakonstantinou, Daniel Straub
Abstract: We present a novel method for Deep Reinforcement Learning (DRL), incorporating the convex property of the value function over the belief space in Partially Observable Markov Decision Processes (POMDPs). We introduce hard- and soft-enforced convexity as two different approaches, and compare their performance against standard DRL on two well-known POMDP environments, namely the Tiger and FieldVisionRockSample problems. Our findings show that including the convexity feature can substantially increase performance of the agents, as well as increase robustness over the hyperparameter space, especially when testing on out-of-distribution domains. The source code for this work can be found at https://github.com/Dakout/Convex_DRL.
Authors: Sally Zhu, Ahmed Ahmed, Rohith Kuditipudi, Percy Liang
Abstract: We consider the following problem: given the weights of two models, can we test whether they were trained independently -- i.e., from independent random initializations? We consider two settings: constrained and unconstrained. In the constrained setting, we make assumptions about model architecture and training and propose a family of statistical tests that yield exact p-values with respect to the null hypothesis that the models are trained from independent random initializations. These p-values are valid regardless of the composition of either model's training data; we compute them by simulating exchangeable copies of each model under our assumptions and comparing various similarity measures of weights and activations between the original two models versus these copies. We report the p-values from these tests on pairs of 21 open-weight models (210 total pairs) and correctly identify all pairs of non-independent models. Our tests remain effective even if one model was fine-tuned for many tokens. In the unconstrained setting, where we make no assumptions about training procedures, can change model architecture, and allow for adversarial evasion attacks, the previous tests no longer work. Instead, we propose a new test which matches hidden activations between two models, and which is robust to adversarial transformations and to changes in model architecture. The test can also do localized testing: identifying specific non-independent components of models. Though we no longer obtain exact p-values from this, empirically we find it behaves as one and reliably identifies non-independent models. Notably, we can use the test to identify specific parts of one model that are derived from another (e.g., how Llama 3.1-8B was pruned to initialize Llama 3.2-3B, or shared layers between Mistral-7B and StripedHyena-7B), and it is even robust to retraining individual layers of either model from scratch.
Authors: Yinchuan Li, Xinyu Shao, Jianping Zhang, Haozhi Wang, Leo Maxime Brunswic, Kaiwen Zhou, Jiqian Dong, Kaiyang Guo, Xiu Li, Zhitang Chen, Jun Wang, Jianye Hao
Abstract: In recent years, the exceptional performance of generative models in generative tasks has sparked significant interest in their integration into decision-making processes. Due to their ability to handle complex data distributions and their strong model capacity, generative models can be effectively incorporated into decision-making systems by generating trajectories that guide agents toward high-reward state-action regions or intermediate sub-goals. This paper presents a comprehensive review of the application of generative models in decision-making tasks. We classify seven fundamental types of generative models: energy-based models, generative adversarial networks, variational autoencoders, normalizing flows, diffusion models, generative flow networks, and autoregressive models. Regarding their applications, we categorize their functions into three main roles: controllers, modelers and optimizers, and discuss how each role contributes to decision-making. Furthermore, we examine the deployment of these models across five critical real-world decision-making scenarios. Finally, we summarize the strengths and limitations of current approaches and propose three key directions for advancing next-generation generative directive models: high-performance algorithms, large-scale generalized decision-making models, and self-evolving and adaptive models.
Authors: Jan Wehner, Sahar Abdelnabi, Daniel Tan, David Krueger, Mario Fritz
Abstract: Representation Engineering (RepE) is a novel paradigm for controlling the behavior of LLMs. Unlike traditional approaches that modify inputs or fine-tune the model, RepE directly manipulates the model's internal representations. As a result, it may offer more effective, interpretable, data-efficient, and flexible control over models' behavior. We present the first comprehensive survey of RepE for LLMs, reviewing the rapidly growing literature to address key questions: What RepE methods exist and how do they differ? For what concepts and problems has RepE been applied? What are the strengths and weaknesses of RepE compared to other methods? To answer these, we propose a unified framework describing RepE as a pipeline comprising representation identification, operationalization, and control. We posit that while RepE methods offer significant potential, challenges remain, including managing multiple concepts, ensuring reliability, and preserving models' performance. Towards improving RepE, we identify opportunities for experimental and methodological improvements and construct a guide for best practices.
Authors: Shashank Gupta, Chaitanya Ahuja, Tsung-Yu Lin, Sreya Dutta Roy, Harrie Oosterhuis, Maarten de Rijke, Satya Narayan Shukla
Abstract: Reinforcement learning (RL)-based fine-tuning has emerged as a powerful approach for aligning diffusion models with black-box objectives. Proximal policy optimization (PPO) is the most popular choice of method for policy optimization. While effective in terms of performance, PPO is highly sensitive to hyper-parameters and involves substantial computational overhead. REINFORCE, on the other hand, mitigates some computational complexities such as high memory overhead and sensitive hyper-parameter tuning, but has suboptimal performance due to high-variance and sample inefficiency. While the variance of the REINFORCE can be reduced by sampling multiple actions per input prompt and using a baseline correction term, it still suffers from sample inefficiency. To address these challenges, we systematically analyze the efficiency-effectiveness trade-off between REINFORCE and PPO, and propose leave-one-out PPO (LOOP), a novel RL for diffusion fine-tuning method. LOOP combines variance reduction techniques from REINFORCE, such as sampling multiple actions per input prompt and a baseline correction term, with the robustness and sample efficiency of PPO via clipping and importance sampling. Our results demonstrate that LOOP effectively improves diffusion models on various black-box objectives, and achieves a better balance between computational efficiency and performance.
Authors: Yue Hou, He Zhu, Ruomei Liu, Yingke Su, Jinxiang Xia, Junran Wu, Ke Xu
Abstract: With the emerging of huge amount of unlabeled data, unsupervised out-of-distribution (OOD) detection is vital for ensuring the reliability of graph neural networks (GNNs) by identifying OOD samples from in-distribution (ID) ones during testing, where encountering novel or unknown data is inevitable. Existing methods often suffer from compromised performance due to redundant information in graph structures, which impairs their ability to effectively differentiate between ID and OOD data. To address this challenge, we propose SEGO, an unsupervised framework that integrates structural entropy into OOD detection regarding graph classification. Specifically, within the architecture of contrastive learning, SEGO introduces an anchor view in the form of coding tree by minimizing structural entropy. The obtained coding tree effectively removes redundant information from graphs while preserving essential structural information, enabling the capture of distinct graph patterns between ID and OOD samples. Furthermore, we present a multi-grained contrastive learning scheme at local, global, and tree levels using triplet views, where coding trees with essential information serve as the anchor view. Extensive experiments on real-world datasets validate the effectiveness of SEGO, demonstrating superior performance over state-of-the-art baselines in OOD detection. Specifically, our method achieves the best performance on 9 out of 10 dataset pairs, with an average improvement of 3.7\% on OOD detection datasets, significantly surpassing the best competitor by 10.8\% on the FreeSolv/ToxCast dataset pair.
Authors: Reginald McLean, Evangelos Chatzaroulas, Jordan Terry, Isaac Woungang, Nariman Farsad, Pablo Samuel Castro
Abstract: Multi-task reinforcement learning (MTRL) aims to endow a single agent with the ability to perform well on multiple tasks. Recent works have focused on developing novel sophisticated architectures to improve performance, often resulting in larger models; it is unclear, however, whether the performance gains are a consequence of the architecture design itself or the extra parameters. We argue that gains are mostly due to scale by demonstrating that naively scaling up a simple MTRL baseline to match parameter counts outperforms the more sophisticated architectures, and these gains benefit most from scaling the critic over the actor. Additionally, we explore the training stability advantages that come with task diversity, demonstrating that increasing the number of tasks can help mitigate plasticity loss. Our findings suggest that MTRL's simultaneous training across multiple tasks provides a natural framework for beneficial parameter scaling in reinforcement learning, challenging the need for complex architectural innovations.
Authors: Luke Guerdan, Solon Barocas, Kenneth Holstein, Hanna Wallach, Zhiwei Steven Wu, Alexandra Chouldechova
Abstract: The LLM-as-a-judge paradigm, in which a judge LLM system replaces human raters in rating the outputs of other generative AI (GenAI) systems, has come to play a critical role in scaling and standardizing GenAI evaluations. To validate judge systems, evaluators collect multiple human ratings for each item in a validation corpus, and then aggregate the ratings into a single, per-item gold label rating. High agreement rates between these gold labels and judge system ratings are then taken as a sign of good judge system performance. In many cases, however, items or rating criteria may be ambiguous, or there may be principled disagreement among human raters. In such settings, gold labels may not exist for many of the items. In this paper, we introduce a framework for LLM-as-a-judge validation in the absence of gold labels. We present a theoretical analysis drawing connections between different measures of judge system performance under different rating elicitation and aggregation schemes. We also demonstrate empirically that existing validation approaches can select judge systems that are highly suboptimal, performing as much as 34% worse than the systems selected by alternative approaches that we describe. Based on our findings, we provide concrete recommendations for developing more reliable approaches to LLM-as-a-judge validation.
Authors: Qijun Chen, Shaofan Li
Abstract: Due to climate change, the extreme wildfire has become one of the most dangerous natural hazards to human civilization. Even though, some wildfires may be initially caused by human activity, but the spread of wildfires is mainly determined by environmental factors, for examples, (1) weather conditions such as temperature, wind direction and intensity, and moisture levels; (2) the amount and types of dry vegetation in a local area, and (3) topographic or local terrian conditions, which affects how much rain an area gets and how fire dynamics will be constrained or faciliated. Thus, to accurately forecast wildfire occurrence has become one of most urgent and taunting environmental challenges in global scale. In this work, we developed a real-time Multimodal Transformer Neural Network Machine Learning model that combines several advanced artificial intelligence techniques and statistical methods to practically forecast the occurrence of wildfire at the precise location in real time, which not only utilizes large scale data information such as hourly weather forecasting data, but also takes into account small scale topographical data such as local terrain condition and local vegetation conditions collecting from Google Earth images to determine the probabilities of wildfire occurrence location at small scale as well as their timing synchronized with weather forecast information. By using the wildfire data in the United States from 1992 to 2015 to train the multimodal transformer neural network, it can predict the probabilities of wildfire occurrence according to the real-time weather forecast and the synchronized Google Earth image data to provide the wildfire occurrence probability in any small location ($100m^2$) within 24 hours ahead.
Authors: Linqi Zhou, Stefano Ermon, Jiaming Song
Abstract: Diffusion models and Flow Matching generate high-quality samples but are slow at inference, and distilling them into few-step models often leads to instability and extensive tuning. To resolve these trade-offs, we propose Inductive Moment Matching (IMM), a new class of generative models for one- or few-step sampling with a single-stage training procedure. Unlike distillation, IMM does not require pre-training initialization and optimization of two networks; and unlike Consistency Models, IMM guarantees distribution-level convergence and remains stable under various hyperparameters and standard model architectures. IMM surpasses diffusion models on ImageNet-256x256 with 1.99 FID using only 8 inference steps and achieves state-of-the-art 2-step FID of 1.98 on CIFAR-10 for a model trained from scratch.
Authors: Pengle Zhang, Jia Wei, Jintao Zhang, Jun Zhu, Jianfei Chen
Abstract: Transformer models have achieved remarkable success across various AI applications but face significant training costs. Low-bit training, such as INT8 training, can leverage computational units with higher throughput, and has already demonstrated its effectiveness on GPT2 models with block-level quantization. However, it struggles with modern Transformer variants incorporating GLU units. This is because those variants demonstrate complex distributions of activation outliers. To address the challenge, we propose Fallback Quantization, implementing mixed-precision GEMM that dynamically falls back 8-bit to 16-bit for activation blocks containing outliers. Experiments show that our approach is robustly competent in both fine-tuning and pretraining settings. Moreover, our method achieves a 1.57x end-to-end training speedup on RTX4090 GPUs.
Authors: Kyeongkook Seo, Dong-Jun Han, Jaejun Yoo
Abstract: Despite recent advancements in federated learning (FL), the integration of generative models into FL has been limited due to challenges such as high communication costs and unstable training in heterogeneous data environments. To address these issues, we propose PRISM, a FL framework tailored for generative models that ensures (i) stable performance in heterogeneous data distributions and (ii) resource efficiency in terms of communication cost and final model size. The key of our method is to search for an optimal stochastic binary mask for a random network rather than updating the model weights, identifying a sparse subnetwork with high generative performance; i.e., a ``strong lottery ticket''. By communicating binary masks in a stochastic manner, PRISM minimizes communication overhead. This approach, combined with the utilization of maximum mean discrepancy (MMD) loss and a mask-aware dynamic moving average aggregation method (MADA) on the server side, facilitates stable and strong generative capabilities by mitigating local divergence in FL scenarios. Moreover, thanks to its sparsifying characteristic, PRISM yields a lightweight model without extra pruning or quantization, making it ideal for environments such as edge devices. Experiments on MNIST, FMNIST, CelebA, and CIFAR10 demonstrate that PRISM outperforms existing methods, while maintaining privacy with minimal communication costs. PRISM is the first to successfully generate images under challenging non-IID and privacy-preserving FL environments on complex datasets, where previous methods have struggled.
Authors: Xian-Rong Zhang, Yue-Jiao Gong, Jun Zhang
Abstract: In many-task optimization scenarios, surrogate models are valuable for mitigating the computational burden of repeated fitness evaluations across tasks. This study proposes a novel meta-surrogate framework to assist many-task optimization, by leveraging the knowledge transfer strengths and emergent capabilities of large language models (LLMs). We formulate a unified framework for many-task fitness prediction, by defining a universal model with metadata to fit a group of problems. Fitness prediction is performed on metadata and decision variables, enabling efficient knowledge sharing across tasks and adaptability to new tasks. The LLM-based meta-surrogate treats fitness prediction as conditional probability estimation, employing a unified token sequence representation for task metadata, inputs, and outputs. This approach facilitates efficient inter-task knowledge sharing through shared token embeddings and captures complex task dependencies via multi-task model training. Experimental results demonstrate the model's emergent generalization ability, including zero-shot performance on problems with unseen dimensions. When integrated into evolutionary transfer optimization (ETO), our framework supports dual-level knowledge transfer -- at both the surrogate and individual levels -- enhancing optimization efficiency and robustness. This work establishes a novel foundation for applying LLMs in surrogate modeling, offering a versatile solution for many-task optimization.
Authors: Hiroki Kato, Hiroyuki Hanada, Ichiro Takeuchi
Abstract: We consider the problem of learning a sparse rule model, a prediction model in the form of a sparse linear combination of rules, where a rule is an indicator function defined over a hyper-rectangle in the input space. Since the number of all possible such rules is extremely large, it has been computationally intractable to select the optimal set of active rules. In this paper, to solve this difficulty for learning the optimal sparse rule model, we propose Safe RuleFit (SRF). Our basic idea is to develop meta safe screening (mSS), which is a non-trivial extension of well-known safe screening (SS) techniques. While SS is used for screening out one feature, mSS can be used for screening out multiple features by exploiting the inclusion-relations of hyper-rectangles in the input space. SRF provides a general framework for fitting sparse rule models for regression and classification, and it can be extended to handle more general sparse regularizations such as group regularization. We demonstrate the advantages of SRF through intensive numerical experiments.
Authors: Huaming Du, Xingyan Chen, Yu Zhao, Qing Li, Fuzhen Zhuang, Fuji Ren, Gang Kou
Abstract: Enterprise financial risk analysis aims at predicting the future financial risk of enterprises. Due to its wide and significant application, enterprise financial risk analysis has always been the core research topic in the fields of Finance and Management. Based on advanced computer science and artificial intelligence technologies, enterprise risk analysis research is experiencing rapid developments and making significant progress. Therefore, it is both necessary and challenging to comprehensively review the relevant studies. Although there are already some valuable and impressive surveys on enterprise risk analysis from the perspective of Finance and Management, these surveys introduce approaches in a relatively isolated way and lack recent advances in enterprise financial risk analysis. In contrast, this paper attempts to provide a systematic literature survey of enterprise risk analysis approaches from Big Data perspective, which reviews more than 250 representative articles in the past almost 50 years (from 1968 to 2023). To the best of our knowledge, this is the first and only survey work on enterprise financial risk from Big Data perspective. Specifically, this survey connects and systematizes the existing enterprise financial risk studies, i.e. to summarize and interpret the problems, methods, and spotlights in a comprehensive way. In particular, we first introduce the issues of enterprise financial risks in terms of their types,granularity, intelligence, and evaluation metrics, and summarize the corresponding representative works. Then, we compare the analysis methods used to learn enterprise financial risk, and finally summarize the spotlights of the most representative works. Our goal is to clarify current cutting-edge research and its possible future directions to model enterprise risk, aiming to fully understand the mechanisms of enterprise risk generation and contagion.
Authors: Puheng Li, James Zou, Linjun Zhang
Abstract: Algorithmic fairness plays an increasingly critical role in machine learning research. Several group fairness notions and algorithms have been proposed. However, the fairness guarantee of existing fair classification methods mainly depends on specific data distributional assumptions, often requiring large sample sizes, and fairness could be violated when there is a modest number of samples, which is often the case in practice. In this paper, we propose FaiREE, a fair classification algorithm that can satisfy group fairness constraints with finite-sample and distribution-free theoretical guarantees. FaiREE can be adapted to satisfy various group fairness notions (e.g., Equality of Opportunity, Equalized Odds, Demographic Parity, etc.) and achieve the optimal accuracy. These theoretical guarantees are further supported by experiments on both synthetic and real data. FaiREE is shown to have favorable performance over state-of-the-art algorithms.
Authors: Sungee Hong, Zhengling Qi, Raymond K. W. Wong
Abstract: We study distributional off-policy evaluation (OPE), of which the goal is to learn the distribution of the return for a target policy using offline data generated by a different policy. The theoretical foundation of many existing work relies on the supremum-extended statistical distances such as supremum-Wasserstein distance, which are hard to estimate. In contrast, we study the more manageable expectation-extended statistical distances and provide a novel theoretical justification on their validity for learning the return distribution. Based on this attractive property, we propose a new method called Energy Bellman Residual Minimizer (EBRM) for distributional OPE. We provide corresponding in-depth theoretical analyses. We establish a finite-sample error bound for the EBRM estimator under the realizability assumption. Furthermore, we introduce a variant of our method based on a multi-step extension which improves the error bound for non-realizable settings. Notably, unlike prior distributional OPE methods, the theoretical guarantees of our method do not require the completeness assumption.
Authors: Javier Marin
Abstract: Understanding how consumers respond to business advertising efforts is essential for optimizing marketing investment.This research introduces a new modeling approach based on the concepts of symmetries and scaling laws in physics to describe consumer response to advertising dynamics.Drawing from mathematical frameworks used in physics and social sciences, we propose a model that accounts for a key aspect: the saturation effect.The model is validated against commonly used models,including the Michaelis-Menten and Hill equations,showing its ability to better capture nonlinearities in advertising effects.We introduce new key parameters like Marketing Sensitivity, Response Sensitivity, and Behavioral Sensitivity that offer additional insights into the drivers of audience engagement and advertising performance.Our model provides a rigorous yet practical tool for understanding audience behavior, contributing to the improvement of budget allocation strategies.
Authors: Juan-Pablo Ortega, Florian Rossmannek
Abstract: A probabilistic framework to study the dependence structure induced by deterministic discrete-time state-space systems between input and output processes is introduced. General sufficient conditions are formulated under which output processes exist and are unique once an input process has been fixed, a property that in the deterministic state-space literature is known as the echo state property. When those conditions are satisfied, the given state-space system becomes a generative model for probabilistic dependences between two sequence spaces. Moreover, those conditions guarantee that the output depends continuously on the input when using the Wasserstein metric. The output processes whose existence is proved are shown to be causal in a specific sense and to generalize those studied in purely deterministic situations. The results in this paper constitute a significant stochastic generalization of sufficient conditions for the deterministic echo state property to hold, in the sense that the stochastic echo state property can be satisfied under contractivity conditions that are strictly weaker than those in deterministic situations. This means that state-space systems can induce a purely probabilistic dependence structure between input and output sequence spaces even when there is no functional relation between those two spaces.
Authors: Won-Gi Paeng, Daesuk Kwon, Kyungwon Jeong, Honggyo Suh
Abstract: In this work, we present a generalized formulation of the Transformer algorithm by reinterpreting its core mechanisms within the framework of Path Integral formalism. In this perspective, the attention mechanism is recast as a process that integrates all possible transition paths leading to future token states, with temporal evolution governed by the Feed-Forward Network. By systematically mapping each component of the Transformer to its counterpart in the Path Integral formulation, we obtain a more compact and efficient representation, in which the contextual information of a sequence is condensed into memory-like segments. These segments are recurrently processed across Transformer layers, enabling more effective long-term information retention. We validate the effectiveness of this approach through the Passkey retrieval task and a summarization task, demonstrating that the proposed method preserves historical information while exhibiting memory usage that scales linearly with sequence length. This contrasts with the non-linear memory growth typically observed in standard attention mechanisms. We expect that this quantum-inspired generalization of the Transformer architecture will open new avenues for enhancing both the efficiency and expressiveness of future Transformer models.
Authors: Benoit Oriol
Abstract: Multi-target linear shrinkage is an extension of the standard single-target linear shrinkage for covariance estimation. We combine several constant matrices - the targets - with the sample covariance matrix. We derive the oracle and a \textit{bona fide} multi-target linear shrinkage estimator with exact and empirical mean. In both settings, we proved its convergence towards the oracle under Kolmogorov asymptotics. Finally, we show empirically that it outperforms other standard estimators in various situations.
Authors: Ziyun Cui, Ziyang Zhang, Guangzhi Sun, Wen Wu, Chao Zhang
Abstract: Advances in large language models raise the question of how alignment techniques will adapt as models become increasingly complex and humans will only be able to supervise them weakly. Weak-to-Strong mimics such a scenario where weak model supervision attempts to harness the full capabilities of a much stronger model. This work extends Weak-to-Strong to WeakS-to-Strong by exploring an ensemble of weak models which simulate the variability in human opinions. Confidence scores are estimated using a Bayesian approach to guide the WeakS-to-Strong generalization. Furthermore, we extend the application of WeakS-to-Strong from text classification tasks to text generation tasks where more advanced strategies are investigated for supervision. Moreover, direct preference optimization is applied to advance the student model's preference learning, beyond the basic learning framework of teacher forcing. Results demonstrate the effectiveness of the proposed approach for the reliability of a strong student model, showing potential for superalignment.
Authors: Michael Eichelbeck, Hannah Markgraf, Matthias Althoff
Abstract: The growing complexity of power system management has led to an increased interest in reinforcement learning (RL). To validate their effectiveness, RL algorithms have to be evaluated across multiple case studies. Case study design is an arduous task requiring the consideration of many aspects, among them the influence of available forecasts and the level of decentralization in the control structure. Furthermore, vanilla RL controllers cannot themselves ensure the satisfaction of system constraints, which makes devising a safeguarding mechanism a necessary task for every case study before deploying the system. To address these shortcomings, we introduce the Python tool CommonPower, the first general framework for the modeling and simulation of power system management tailored towards machine learning. Its modular architecture enables users to focus on specific elements without having to implement a simulation environment. Another unique contribution of CommonPower is the automatic synthesis of model predictive controllers and safeguards. Beyond offering a unified interface for single-agent RL, multi-agent RL, and optimal control, CommonPower includes a training pipeline for machine-learning-based forecasters as well as a flexible mechanism for incorporating feedback of safeguards into the learning updates of RL controllers.
Authors: Arya Akhavan, Karim Lounici, Massimiliano Pontil, Alexandre B. Tsybakov
Abstract: We study the contextual continuum bandits problem, where the learner sequentially receives a side information vector and has to choose an action in a convex set, minimizing a function associated with the context. The goal is to minimize all the underlying functions for the received contexts, leading to the contextual notion of regret, which is stronger than the standard static regret. Assuming that the objective functions are $\gamma$-H\"older with respect to the contexts, $0<\gamma\le 1,$ we demonstrate that any algorithm achieving a sub-linear static regret can be extended to achieve a sub-linear contextual regret. We prove a static-to-contextual regret conversion theorem that provides an upper bound for the contextual regret of the output algorithm as a function of the static regret of the input algorithm. We further study the implications of this general result for three fundamental cases of dependency of the objective function on the action variable: (a) Lipschitz bandits, (b) convex bandits, (c) strongly convex and smooth bandits. For Lipschitz bandits and $\gamma=1,$ combining our results with the lower bound of Slivkins (2014), we prove that the minimax optimal contextual regret for the noise-free adversarial setting is achieved. Then, we prove that in the presence of noise, the contextual regret rate as a function of the number of queries is the same for convex bandits as it is for strongly convex and smooth bandits. Lastly, we present a minimax lower bound, implying two key facts. First, obtaining a sub-linear contextual regret may be impossible over functions that are not continuous with respect to the context. Second, for convex bandits and strongly convex and smooth bandits, the algorithms that we propose achieve, up to a logarithmic factor, the minimax optimal rate of contextual regret as a function of the number of queries.
Authors: Jordy Van Landeghem, Subhajit Maity, Ayan Banerjee, Matthew Blaschko, Marie-Francine Moens, Josep Llad\'os, Sanket Biswas
Abstract: This work explores knowledge distillation (KD) for visually-rich document (VRD) applications such as document layout analysis (DLA) and document image classification (DIC). While VRD research is dependent on increasingly sophisticated and cumbersome models, the field has neglected to study efficiency via model compression. Here, we design a KD experimentation methodology for more lean, performant models on document understanding (DU) tasks that are integral within larger task pipelines. We carefully selected KD strategies (response-based, feature-based) for distilling knowledge to and from backbones with different architectures (ResNet, ViT, DiT) and capacities (base, small, tiny). We study what affects the teacher-student knowledge gap and find that some methods (tuned vanilla KD, MSE, SimKD with an apt projector) can consistently outperform supervised student training. Furthermore, we design downstream task setups to evaluate covariate shift and the robustness of distilled DLA models on zero-shot layout-aware document visual question answering (DocVQA). DLA-KD experiments result in a large mAP knowledge gap, which unpredictably translates to downstream robustness, accentuating the need to further explore how to efficiently obtain more semantic document layout awareness.
Authors: Neelabh Sinha, Vinija Jain, Aman Chadha
Abstract: The rapid rise of Language Models (LMs) has expanded their use in several applications. Yet, due to constraints of model size, associated cost, or proprietary restrictions, utilizing state-of-the-art (SOTA) LLMs is not always feasible. With open, smaller LMs emerging, more applications can leverage their capabilities, but selecting the right LM can be challenging as smaller LMs do not perform well universally. This work tries to bridge this gap by proposing a framework to experimentally evaluate small, open LMs in practical settings through measuring semantic correctness of outputs across three practical aspects: task types, application domains, and reasoning types, using diverse prompt styles. It also conducts an in-depth comparison of 10 small, open LMs to identify the best LM and prompt style depending on specific application requirements using the proposed framework. We also show that if selected appropriately, they can outperform SOTA LLMs like DeepSeek-v2, GPT-4o, GPT-4o-mini, Gemini-1.5-Pro, and even compete with GPT-4o.
Authors: Pedro Lima Louro, Hugo Redinho, Ricardo Santos, Ricardo Malheiro, Renato Panda, Rui Pedro Paiva
Abstract: The Music Emotion Recognition (MER) field has seen steady developments in recent years, with contributions from feature engineering, machine learning, and deep learning. The landscape has also shifted from audio-centric systems to bimodal ensembles that combine audio and lyrics. However, a severe lack of public and sizeable bimodal databases has hampered the development and improvement of bimodal audio-lyrics systems. This article proposes three new audio, lyrics, and bimodal MER research datasets, collectively called MERGE, created using a semi-automatic approach. To comprehensively assess the proposed datasets and establish a baseline for benchmarking, we conducted several experiments for each modality, using feature engineering, machine learning, and deep learning methodologies. In addition, we propose and validate fixed train-validate-test splits. The obtained results confirm the viability of the proposed datasets, achieving the best overall result of 79.21% F1-score for bimodal classification using a deep neural network.
Authors: Yang Cheng, Qingyuan Shu, Albert Lee, Haoran He, Ivy Zhu, Minzhang Chen, Renhe Chen, Zirui Wang, Hantao Zhang, Chih-Yao Wang, Shan-Yi Yang, Yu-Chen Hsin, Cheng-Yi Shih, Hsin-Han Lee, Ran Cheng, Kang L. Wang
Abstract: Stochastic diffusion processes are pervasive in nature, from the seemingly erratic Brownian motion to the complex interactions of synaptically-coupled spiking neurons. Recently, drawing inspiration from Langevin dynamics, neuromorphic diffusion models were proposed and have become one of the major breakthroughs in the field of generative artificial intelligence. Unlike discriminative models that have been well developed to tackle classification or regression tasks, diffusion models as well as other generative models such as ChatGPT aim at creating content based upon contexts learned. However, the more complex algorithms of these models result in high computational costs using today's technologies, creating a bottleneck in their efficiency, and impeding further development. Here, we develop a spintronic voltage-controlled magnetoelectric memory hardware for the neuromorphic diffusion process. The in-memory computing capability of our spintronic devices goes beyond current Von Neumann architecture, where memory and computing units are separated. Together with the non-volatility of magnetic memory, we can achieve high-speed and low-cost computing, which is desirable for the increasing scale of generative models in the current era. We experimentally demonstrate that the hardware-based true random diffusion process can be implemented for image generation and achieve comparable image quality to software-based training as measured by the Frechet inception distance (FID) score, achieving ~10^3 better energy-per-bit-per-area over traditional hardware.
Authors: Tao Han, Huaixuan Shi, Xinyi Ding, Xiao Ma, Huamao Gu, Yili Fang
Abstract: Existing truth inference methods in crowdsourcing aim to map redundant labels and items to the ground truth. They treat the ground truth as hidden variables and use statistical or deep learning-based worker behavior models to infer the ground truth. However, worker behavior models that rely on ground truth hidden variables overlook workers' behavior at the item feature level, leading to imprecise characterizations and negatively impacting the quality of truth inference. This paper proposes a new paradigm of multi-task supervised learning from crowds, which eliminates the need for modeling of items's ground truth in worker behavior models. Within this paradigm, we propose a worker behavior model at the item feature level called Mixture of Experts based Multi-task Supervised Learning from Crowds (MMLC). Two truth inference strategies are proposed within MMLC. The first strategy, named MMLC-owf, utilizes clustering methods in the worker spectral space to identify the projection vector of the oracle worker. Subsequently, the labels generated based on this vector are considered as the inferred truth. The second strategy, called MMLC-df, employs the MMLC model to fill the crowdsourced data, which can enhance the effectiveness of existing truth inference methods. Experimental results demonstrate that MMLC-owf outperforms state-of-the-art methods and MMLC-df enhances the quality of existing truth inference methods.
Authors: Giorgio Franceschelli, Claudia Cevenini, Mirco Musolesi
Abstract: The training process of foundation models as for other classes of deep learning systems is based on minimizing the reconstruction error over a training set. For this reason, they are susceptible to the memorization and subsequent reproduction of training samples. In this paper, we introduce a training-as-compressing perspective, wherein the model's weights embody a compressed representation of the training data. From a copyright standpoint, this point of view implies that the weights can be considered a reproduction or, more likely, a derivative work of a potentially protected set of works. We investigate the technical and legal challenges that emerge from this framing of the copyright of outputs generated by foundation models, including their implications for practitioners and researchers. We demonstrate that adopting an information-centric approach to the problem presents a promising pathway for tackling these emerging complex legal issues.
Authors: Qifan Zhang, Yunhui Guo, Yu Xiang
Abstract: We introduce the problem of continual distillation learning (CDL) in order to use knowledge distillation (KD) to improve prompt-based continual learning (CL) models. The CDL problem is valuable to study since the use of a larger vision transformer (ViT) leads to better performance in prompt-based continual learning. The distillation of knowledge from a large ViT to a small ViT can improve the inference efficiency for prompt-based CL models. We empirically found that existing KD methods such as logit distillation and feature distillation cannot effectively improve the student model in the CDL setup. To this end, we introduce a novel method named Knowledge Distillation based on Prompts (KDP), in which globally accessible prompts specifically designed for knowledge distillation are inserted into the frozen ViT backbone of the student model. We demonstrate that our KDP method effectively enhances the distillation performance in comparison to existing KD methods in the CDL setup.
Authors: Xihong Yang, Yiqi Wang, Jin Chen, Wenqi Fan, Xiangyu Zhao, En Zhu, Xinwang Liu, Defu Lian
Abstract: Deep learning has been widely applied in recommender systems, which has achieved revolutionary progress recently. However, most existing learning-based methods assume that the user and item distributions remain unchanged between the training phase and the test phase. However, the distribution of user and item features can naturally shift in real-world scenarios, potentially resulting in a substantial decrease in recommendation performance. This phenomenon can be formulated as an Out-Of-Distribution (OOD) recommendation problem. To address this challenge, we propose a novel Dual Test-Time-Training framework for OOD Recommendation, termed DT3OR. In DT3OR, we incorporate a model adaptation mechanism during the test-time phase to carefully update the recommendation model, allowing the model to specially adapt to the shifting user and item features. To be specific, we propose a self-distillation task and a contrastive task to assist the model learning both the user's invariant interest preferences and the variant user/item characteristics during the test-time phase, thus facilitating a smooth adaptation to the shifting features. Furthermore, we provide theoretical analysis to support the rationale behind our dual test-time training framework. To the best of our knowledge, this paper is the first work to address OOD recommendation via a test-time-training strategy. We conduct experiments on three datasets with various backbones. Comprehensive experimental results have demonstrated the effectiveness of DT3OR compared to other state-of-the-art baselines.
Authors: Xi Chen, Rahul Bhadani, Larry Head
Abstract: Current research on trajectory prediction primarily relies on data collected by onboard sensors of an ego vehicle. With the rapid advancement in connected technologies, such as vehicle-to-vehicle (V2V) and vehicle-to-infrastructure (V2I) communication, valuable information from alternate views becomes accessible via wireless networks. The integration of information from alternative views has the potential to overcome the inherent limitations associated with a single viewpoint, such as occlusions and limited field of view. In this work, we introduce V2INet, a novel trajectory prediction framework designed to model multi-view data by extending existing single-view models. Unlike previous approaches where the multi-view data is manually fused or formulated as a separate training stage, our model supports end-to-end training, enhancing both flexibility and performance. Moreover, the predicted multimodal trajectories are calibrated by a post-hoc conformal prediction module to get valid and efficient confidence regions. We evaluated the entire framework using the real-world V2I dataset V2X-Seq. Our results demonstrate superior performance in terms of Final Displacement Error (FDE) and Miss Rate (MR) using a single GPU. The code is publicly available at: https://github.com/xichennn/V2I_trajectory_prediction.
URLs: https://github.com/xichennn/V2I_trajectory_prediction.
Authors: Georgios Bakirtzis, Michail Savvas, Ruihan Zhao, Sandeep Chinchali, Ufuk Topcu
Abstract: In reinforcement learning, conducting task composition by forming cohesive, executable sequences from multiple tasks remains challenging. However, the ability to (de)compose tasks is a linchpin in developing robotic systems capable of learning complex behaviors. Yet, compositional reinforcement learning is beset with difficulties, including the high dimensionality of the problem space, scarcity of rewards, and absence of system robustness after task composition. To surmount these challenges, we view task composition through the prism of category theory -- a mathematical discipline exploring structures and their compositional relationships. The categorical properties of Markov decision processes untangle complex tasks into manageable sub-tasks, allowing for strategical reduction of dimensionality, facilitating more tractable reward structures, and bolstering system robustness. Experimental results support the categorical theory of reinforcement learning by enabling skill reduction, reuse, and recycling when learning complex robotic arm tasks.
Authors: Ahmed Adel Attia, Dorottya Demszky, Tolulope Ogunremi, Jing Liu, Carol Espy-Wilson
Abstract: Creating Automatic Speech Recognition (ASR) systems that are robust and resilient to classroom conditions is paramount to the development of AI tools to aid teachers and students. In this work, we study the efficacy of continued pretraining (CPT) in adapting Wav2vec2.0 to the classroom domain. We show that CPT is a powerful tool in that regard and reduces the Word Error Rate (WER) of Wav2vec2.0-based models by upwards of 10%. More specifically, CPT improves the model's robustness to different noises, microphones and classroom conditions.
Authors: Hongchen Wang, Kangming Li, Scott Ramsay, Yao Fehlis, Edward Kim, Jason Hattrick-Simpers
Abstract: Large Language Models (LLMs) have the potential to revolutionize scientific research, yet their robustness and reliability in domain-specific applications remain insufficiently explored. In this study, we evaluate the performance and robustness of LLMs for materials science, focusing on domain-specific question answering and materials property prediction across diverse real-world and adversarial conditions. Three distinct datasets are used in this study: 1) a set of multiple-choice questions from undergraduate-level materials science courses, 2) a dataset including various steel compositions and yield strengths, and 3) a band gap dataset, containing textual descriptions of material crystal structures and band gap values. The performance of LLMs is assessed using various prompting strategies, including zero-shot chain-of-thought, expert prompting, and few-shot in-context learning. The robustness of these models is tested against various forms of 'noise', ranging from realistic disturbances to intentionally adversarial manipulations, to evaluate their resilience and reliability under real-world conditions. Additionally, the study showcases unique phenomena of LLMs during predictive tasks, such as mode collapse behavior when the proximity of prompt examples is altered and performance recovery from train/test mismatch. The findings aim to provide informed skepticism for the broad use of LLMs in materials science and to inspire advancements that enhance their robustness and reliability for practical applications.
Authors: Mahjabin Nahar, Sian Lee, Rebekah Guillen, Dongwon Lee
Abstract: As the use of Generative AI (Gen-AI) in scholarly writing and peer reviews continues to rise, it is essential for the computing field to establish and adopt clear Gen-AI policies. This study examines the landscape of Gen-AI policies across 64 major Computer Science conferences and offers recommendations for promoting more effective and responsible use of Gen-AI in the field.
Authors: Sandeep Nagar, Girish Varma
Abstract: The inverse of an invertible convolution is an important operation that comes up in Normalizing Flows, Image Deblurring, etc. The naive algorithm for backpropagation of this operation using Gaussian elimination has running time $O(n^3)$ where $n$ is the number of pixels in the image. We give a fast parallel backpropagation algorithm with running time $O(\sqrt{n})$ for a square image and provide a GPU implementation of the same. Inverse of Convolutions are usually used in Normalizing Flows in the sampling pass, making them slow. We propose to use the Inverse of Convolutions in the forward (image to latent vector) pass of the Normalizing flow. Since the sampling pass is the inverse of the forward pass, it will use convolutions only, resulting in efficient sampling times. We use our parallel backpropagation algorithm to optimize the inverse of the convolution layer, resulting in fast training times. We implement this approach in various Normalizing Flow backbones, resulting in our Inverse-Flow models. We benchmark Inverse-Flow on standard datasets and show significantly improved sampling times with similar bits per dimension compared to previous models.
Authors: Chung-En Sun, Xiaodong Liu, Weiwei Yang, Tsui-Wei Weng, Hao Cheng, Aidan San, Michel Galley, Jianfeng Gao
Abstract: Recent research has shown that Large Language Models (LLMs) are vulnerable to automated jailbreak attacks, where adversarial suffixes crafted by algorithms appended to harmful queries bypass safety alignment and trigger unintended responses. Current methods for generating these suffixes are computationally expensive and have low Attack Success Rates (ASR), especially against well-aligned models like Llama2 and Llama3. To overcome these limitations, we introduce ADV-LLM, an iterative self-tuning process that crafts adversarial LLMs with enhanced jailbreak ability. Our framework significantly reduces the computational cost of generating adversarial suffixes while achieving nearly 100\% ASR on various open-source LLMs. Moreover, it exhibits strong attack transferability to closed-source models, achieving 99\% ASR on GPT-3.5 and 49\% ASR on GPT-4, despite being optimized solely on Llama3. Beyond improving jailbreak ability, ADV-LLM provides valuable insights for future safety alignment research through its ability to generate large datasets for studying LLM safety.
Authors: Sanghyuk Chun, Wonjae Kim, Song Park, Sangdoo Yun
Abstract: Vision-language models (VLMs) embed aligned image-text pairs into a joint space but often rely on deterministic embeddings, assuming a one-to-one correspondence between images and texts. This oversimplifies real-world relationships, which are inherently many-to-many, with multiple captions describing a single image and vice versa. We introduce Probabilistic Language-Image Pre-training (ProLIP), the first probabilistic VLM pre-trained on a billion-scale image-text dataset using only probabilistic objectives, achieving a strong zero-shot capability (e.g., 74.6% ImageNet zero-shot accuracy with ViT-B/16). ProLIP efficiently estimates uncertainty by an "uncertainty token" without extra parameters. We also introduce a novel inclusion loss that enforces distributional inclusion relationships between image-text pairs and between original and masked inputs. Experiments demonstrate that, by leveraging uncertainty estimates, ProLIP benefits downstream tasks and aligns with intuitive notions of uncertainty, e.g., shorter texts being more uncertain and more general inputs including specific ones. Utilizing text uncertainties, we further improve ImageNet accuracy from 74.6% to 75.8% (under a few-shot setting), supporting the practical advantages of our probabilistic approach. The code is available at https://github.com/naver-ai/prolip
Authors: Eric Battenberg, RJ Skerry-Ryan, Daisy Stanton, Soroosh Mariooryad, Matt Shannon, Julian Salazar, David Kao
Abstract: Autoregressive (AR) Transformer-based sequence models are known to have difficulty generalizing to sequences longer than those seen during training. When applied to text-to-speech (TTS), these models tend to drop or repeat words or produce erratic output, especially for longer utterances. In this paper, we introduce enhancements aimed at AR Transformer-based encoder-decoder TTS systems that address these robustness and length generalization issues. Our approach uses an alignment mechanism to provide cross-attention operations with relative location information. The associated alignment position is learned as a latent property of the model via backpropagation and requires no external alignment information during training. While the approach is tailored to the monotonic nature of TTS input-output alignment, it is still able to benefit from the flexible modeling power of interleaved multi-head self- and cross-attention operations. A system incorporating these improvements, which we call Very Attentive Tacotron, matches the naturalness and expressiveness of a baseline T5-based TTS system, while eliminating problems with repeated or dropped words and enabling generalization to any practical utterance length.
Authors: Rafa{\l} Karczewski, Markus Heinonen, Vikas Garg
Abstract: We investigate what kind of images lie in the high-density regions of diffusion models. We introduce a theoretical mode-tracking process capable of pinpointing the exact mode of the denoising distribution, and we propose a practical high-density sampler that consistently generates images of higher likelihood than usual samplers. Our empirical findings reveal the existence of significantly higher likelihood samples that typical samplers do not produce, often manifesting as cartoon-like drawings or blurry images depending on the noise level. Curiously, these patterns emerge in datasets devoid of such examples. We also present a novel approach to track sample likelihoods in diffusion SDEs, which remarkably incurs no additional computational cost.
Authors: Yunhao Luo, Yilun Du
Abstract: Large video models, pretrained on massive amounts of Internet video, provide a rich source of physical knowledge about the dynamics and motions of objects and tasks. However, video models are not grounded in the embodiment of an agent, and do not describe how to actuate the world to reach the visual states depicted in a video. To tackle this problem, current methods use a separate vision-based inverse dynamic model trained on embodiment-specific data to map image states to actions. Gathering data to train such a model is often expensive and challenging, and this model is limited to visual settings similar to the ones in which data are available. In this paper, we investigate how to directly ground video models to continuous actions through self-exploration in the embodied environment -- using generated video states as visual goals for exploration. We propose a framework that uses trajectory level action generation in combination with video guidance to enable an agent to solve complex tasks without any external supervision, e.g., rewards, action labels, or segmentation masks. We validate the proposed approach on 8 tasks in Libero, 6 tasks in MetaWorld, 4 tasks in Calvin, and 12 tasks in iThor Visual Navigation. We show how our approach is on par with or even surpasses multiple behavior cloning baselines trained on expert demonstrations while without requiring any action annotations.
Authors: Mustafa K\"ut\"uk, Hamdullah Y\"ucel
Abstract: This paper investigates a numerical solution of Allen-Cahn equation with constant and degenerate mobility, with polynomial and logarithmic energy functionals, with deterministic and random initial functions, and with advective term in one, two, and three spatial dimensions, based on the physics-informed neural network (PINN). To improve the learning capacity of the PINN, we incorporate the energy dissipation property of the Allen-Cahn equation as a penalty term into the loss function of the network. To facilitate the learning process of random initials, we employ a continuous analogue of the initial random condition by utilizing the Fourier series expansion. Adaptive methods from traditional numerical analysis are also integrated to enhance the effectiveness of the proposed PINN. Numerical results indicate a consistent decrease in the discrete energy, while also revealing phenomena such as phase separation and metastability.
Authors: Gerardo Duran-Martin, Leandro S\'anchez-Betancourt, Alexander Y. Shestopaloff, Kevin Murphy
Abstract: We propose a unifying framework for methods that perform probabilistic online learning in non-stationary environments. We call the framework BONE, which stands for generalised (B)ayesian (O)nline learning in (N)on-stationary (E)nvironments. BONE provides a common structure to tackle a variety of problems, including online continual learning, prequential forecasting, and contextual bandits. The framework requires specifying three modelling choices: (i) a model for measurements (e.g., a neural network), (ii) an auxiliary process to model non-stationarity (e.g., the time since the last changepoint), and (iii) a conditional prior over model parameters (e.g., a multivariate Gaussian). The framework also requires two algorithmic choices, which we use to carry out approximate inference under this framework: (i) an algorithm to estimate beliefs (posterior distribution) about the model parameters given the auxiliary variable, and (ii) an algorithm to estimate beliefs about the auxiliary variable. We show how the modularity of our framework allows for many existing methods to be reinterpreted as instances of BONE, and it allows us to propose new methods. We compare experimentally existing methods with our proposed new method on several datasets, providing insights into the situations that make each method more suitable for a specific task. We provide a Jax open source library to facilitate the adoption of this framework.
Authors: M. M. A. Valiuddin, R. J. G. van Sloun, C. G. A. Viviers, P. H. N. de With, F. van der Sommen
Abstract: Advancements in image segmentation play an integral role within the broad scope of Deep Learning-based Computer Vision. Furthermore, their widespread applicability in critical real-world tasks has resulted in challenges related to the reliability of such algorithms. Hence, uncertainty quantification has been extensively studied within this context, enabling the expression of model ignorance (epistemic uncertainty) or data ambiguity (aleatoric uncertainty) to prevent uninformed decision-making. Due to the rapid adoption of Convolutional Neural Network (CNN)-based segmentation models in high-stake applications, a substantial body of research has been published on this very topic, causing its swift expansion into a distinct field. This work provides a comprehensive overview of probabilistic segmentation, by discussing fundamental concepts of uncertainty quantification, governing advancements in the field as well as the application to various tasks. Moreover, literature on both types of uncertainties trace back to four key applications: (1) to quantify statistical inconsistencies in the annotation process due ambiguous images, (2) correlating prediction error with uncertainty, (3) expanding the model hypothesis space for better generalization, and (4) Active Learning. An extensive discussion follows that includes an overview of utilized datasets for each of the applications and evaluation of the available methods. We also highlight challenges related to architectures, uncertainty quantification methods, standardization and benchmarking, and finally end with recommendations for future work such as methods based on single forward passes and models that appropriately leverage volumetric data.
Authors: Nicolai Hermann, Jorge Condor, Piotr Didyk
Abstract: Modern reconstruction techniques can effectively model complex 3D scenes from sparse 2D views. However, automatically assessing the quality of novel views and identifying artifacts is challenging due to the lack of ground truth images and the limitations of No-Reference image metrics in predicting reliable artifact maps. The absence of such metrics hinders the assessment of the quality of novel views and limits the adoption of post-processing techniques, such as inpainting, to enhance reconstruction quality. To tackle this, recent work has established a new category of metrics (Cross-Reference), predicting image quality solely by leveraging context from alternate viewpoint captures (arXiv:2404.14409). In this work, we propose a new Cross-Reference metric, Puzzle Similarity, which is designed to localize artifacts in novel views. Our approach utilizes image patch statistics from the input views to establish a scene-specific distribution, later used to identify poorly reconstructed regions in the novel views. Given the lack of good measures to evaluate Cross-Reference methods in the context of 3D reconstruction, we collected a novel human-labeled dataset of artifact and distortion maps in unseen reconstructed views. Through this dataset, we demonstrate that our method achieves state-of-the-art localization of artifacts in novel views, correlating with human assessment, even without aligned references. We can leverage our new metric to enhance applications like automatic image restoration, guided acquisition, or 3D reconstruction from sparse inputs. Find the project page at https://nihermann.github.io/puzzlesim/ .
Authors: Quang H. Nguyen, Hoang Phan, Khoa D. Doan
Abstract: Diffusion models have shown remarkable abilities in generating realistic and high-quality images from text prompts. However, a trained model remains largely black-box; little do we know about the roles of its components in exhibiting a concept such as objects or styles. Recent works employ causal tracing to localize knowledge-storing layers in generative models without showing how other layers contribute to the target concept. In this work, we approach diffusion models' interpretability problem from a more general perspective and pose a question: \textit{``How do model components work jointly to demonstrate knowledge?''}. To answer this question, we decompose diffusion models using component attribution, systematically unveiling the importance of each component (specifically the model parameter) in generating a concept. The proposed framework, called \textbf{C}omponent \textbf{A}ttribution for \textbf{D}iffusion Model (CAD), discovers the localization of concept-inducing (positive) components, while interestingly uncovers another type of components that contribute negatively to generating a concept, which is missing in the previous knowledge localization work. Based on this holistic understanding of diffusion models, we introduce two fast, inference-time model editing algorithms, CAD-Erase and CAD-Amplify; in particular, CAD-Erase enables erasure and CAD-Amplify allows amplification of a generated concept by ablating the positive and negative components, respectively, while retaining knowledge of other concepts. Extensive experimental results validate the significance of both positive and negative components pinpointed by our framework, demonstrating the potential of providing a complete view of interpreting generative models. Our code is available \href{https://github.com/mail-research/CAD-attribution4diffusion}{here}.
URLs: https://github.com/mail-research/CAD-attribution4diffusion
Authors: Shadab Ahamed, Eldad Haber
Abstract: Inverse problems, which involve estimating parameters from incomplete or noisy observations, arise in various fields such as medical imaging, geophysics, and signal processing. These problems are often ill-posed, requiring regularization techniques to stabilize the solution. In this work, we employ Flow Matching (FM), a generative framework that integrates a deterministic processes to map a simple reference distribution, such as a Gaussian, to the target distribution. Our method DAWN-FM: Data-AWare and Noise-informed Flow Matching incorporates data and noise embedding, allowing the model to access representations about the measured data explicitly and also account for noise in the observations, making it particularly robust in scenarios where data is noisy or incomplete. By learning a time-dependent velocity field, FM not only provides accurate solutions but also enables uncertainty quantification by generating multiple plausible outcomes. Unlike pre-trained diffusion models, which may struggle in highly ill-posed settings, our approach is trained specifically for each inverse problem and adapts to varying noise levels. We validate the effectiveness and robustness of our method through extensive numerical experiments on tasks such as image deblurring and tomography.
Authors: Chung-En Sun, Tuomas Oikarinen, Berk Ustun, Tsui-Wei Weng
Abstract: We introduce Concept Bottleneck Large Language Models (CB-LLMs), a novel framework for building inherently interpretable Large Language Models (LLMs). In contrast to traditional black-box LLMs that rely on limited post-hoc interpretations, CB-LLMs integrate intrinsic interpretability directly into the LLMs -- allowing accurate explanations with scalability and transparency. We build CB-LLMs for two essential NLP tasks: text classification and text generation. In text classification, CB-LLMs is competitive with, and at times outperforms, traditional black-box models while providing explicit and interpretable reasoning. For the more challenging task of text generation, interpretable neurons in CB-LLMs enable precise concept detection, controlled generation, and safer outputs. The embedded interpretability empowers users to transparently identify harmful content, steer model behavior, and unlearn undesired concepts -- significantly enhancing the safety, reliability, and trustworthiness of LLMs, which are critical capabilities notably absent in existing models. Our code is available at https://github.com/Trustworthy-ML-Lab/CB-LLMs.
Authors: Mazeyu Ji, Xuanbin Peng, Fangchen Liu, Jialong Li, Ge Yang, Xuxin Cheng, Xiaolong Wang
Abstract: This paper tackles the challenge of enabling real-world humanoid robots to perform expressive and dynamic whole-body motions while maintaining overall stability and robustness. We propose Advanced Expressive Whole-Body Control (Exbody2), a method for producing whole-body tracking controllers that are trained on both human motion capture and simulated data and then transferred to the real world. We introduce a technique for decoupling the velocity tracking of the entire body from tracking body landmarks. We use a teacher policy to produce intermediate data that better conforms to the robot's kinematics and to automatically filter away infeasible whole-body motions. This two-step approach enabled us to produce a student policy that can be deployed on the robot that can walk, crouch, and dance. We also provide insight into the trade-off between versatility and the tracking performance on specific motions. We observed significant improvement of tracking performance after fine-tuning on a small amount of data, at the expense of the others.
Authors: Andr\'es Corrada-Emmanuel
Abstract: Majority voting (MV) is the prototypical ``wisdom of the crowd'' algorithm. Theorems considering when MV is optimal for group decisions date back to Condorcet's 1785 jury \emph{decision} theorem. The same error independence assumption underlying the theorem can be used to prove a jury \emph{evaluation} theorem that does purely algebraic evaluation (AE) of juror performance based on a batch of their decisions. Three or more binary jurors are enough to obtain the only two possible statistics of their correctness on a test they took. AE is superior to MV in three ways. First, its empirical assumptions are looser and can handle jurors less than 50\% accurate in making decisions. Second, it has point-like precision in evaluating them given its assumption of error independence. This precision enables a multi-accuracy approach that has higher labeling accuracy than MV and comes with empirical uncertainty bounds. And, third, it is self-alarming about the failure of its error independence assumption. Experiments using demographic data from the American Community Survey confirm the practical utility of AE over MV. Two implications of the theorem for AI safety are discussed - a principled way to terminate infinite monitoring chains (who grades the graders?) and the super-alignment problem (how do we evaluate agents doing tasks we do not understand?).
Authors: Viktor Mirjani\'c, Challenger Mishra
Abstract: Ever since Yau's non-constructive existence proof of Ricci-flat metrics on Calabi-Yau manifolds, finding their explicit construction remains a major obstacle to development of both string theory and algebraic geometry. Recent computational approaches employ machine learning to create novel neural representations for approximating these metrics, offering high accuracy but limited interpretability. In this paper, we analyse machine learning approximations to flat metrics of Fermat Calabi-Yau n-folds and some of their one-parameter deformations in three dimensions in order to discover their new properties. We formalise cases in which the flat metric has more symmetries than the underlying manifold, and prove that these symmetries imply that the flat metric admits a surprisingly compact representation for certain choices of complex structure moduli. We show that such symmetries uniquely determine the flat metric on certain loci, for which we present an analytic form. We also incorporate our theoretical results into neural networks to reduce Ricci curvature for multiple Calabi--Yau manifolds compared to previous machine learning approaches. We conclude by distilling the ML models to obtain for the first time closed form expressions for Kahler metrics with near-zero scalar curvature.
Authors: Beibei Li (Deep Space Exploration Laboratory), Yutian Chi (Deep Space Exploration Laboratory), Yuming Wang (Deep Space Exploration Laboratory,School of Earth,Space Sciences University of Science,Technology of China)
Abstract: This study introduces a novel approach that integrates the magnetic field data correction from the Tianwen-1 Mars mission with a neural network architecture constrained by physical principles derived from Maxwell's equation equations. By employing a Transformer based model capable of efficiently handling sequential data, the method corrects measurement anomalies caused by satellite dynamics, instrument interference, and environmental noise. As a result, it significantly improves both the accuracy and the physical consistency of the calibrated data. Compared to traditional methods that require long data segments and manual intervention often taking weeks or even months to complete this new approach can finish calibration in just minutes to hours, and predictions are made within seconds. This innovation not only accelerates the process of space weather modeling and planetary magnetospheric studies but also provides a robust framework for future planetary exploration and solar wind interaction research.
Authors: Tianyuan Yao, Zhiyuan Li, Praitayini Kanakaraj, Derek B. Archer, Kurt Schilling, Lori Beason-Held, Susan Resnick, Bennett A. Landman, Yuankai Huo
Abstract: Diffusion-weighted Magnetic Resonance Imaging (dMRI) is an essential tool in neuroimaging. It is arguably the sole noninvasive technique for examining the microstructural properties and structural connectivity of the brain. Recent years have seen the emergence of machine learning and data-driven approaches that enhance the speed, accuracy, and consistency of dMRI data analysis. However, traditional deep learning models often fell short, as they typically utilize pixel-level or volumetric patch-level embeddings similar to those used in structural MRI, and do not account for the unique distribution of various gradient encodings. In this paper, we propose a novel method called Polyhedra Encoding Transformer (PE-Transformer) for dMRI, designed specifically to handle spherical signals. Our approach involves projecting an icosahedral polygon onto a unit sphere to resample signals from predetermined directions. These resampled signals are then transformed into embeddings, which are processed by a transformer encoder that incorporates orientational information reflective of the icosahedral structure. Through experimental validation with various gradient encoding protocols, our method demonstrates superior accuracy in estimating multi-compartment models and Fiber Orientation Distributions (FOD), outperforming both conventional CNN architectures and standard transformers.
Authors: Thibault Rousset, Taisei Kakibuchi, Yusuke Sasaki, Yoshihide Nomura
Abstract: Advancements in Natural Language Processing have enabled specialized language models, but integrating domain-specific knowledge into general-purpose models in multilingual settings remains challenging, particularly for technical vocabulary. This paper investigates the integration of technical vocabulary in merged language models and explores the knowledge transfer mechanisms involved when combining a general-purpose language-specific model with a domain-specific model, focusing on the resulting model's comprehension of technical jargon. Our experiments analyze the impact of this merging process on the target model's proficiency in handling specialized terminology. We present a quantitative evaluation of the performance of the merged model, comparing it with that of the individual constituent models. The findings offer insights into the effectiveness of different model merging methods for enhancing domain-specific knowledge and highlight potential challenges and future directions in leveraging these methods for cross-lingual knowledge transfer in Natural Language Processing.
Authors: Heiko Hoffmann, Richard Hoffmann
Abstract: Robotic assembly tasks require object-pose estimation, particularly for tasks that avoid costly mechanical constraints. Object symmetry complicates the direct mapping of sensory input to object rotation, as the rotation becomes ambiguous and lacks a unique training target. Some proposed solutions involve evaluating multiple pose hypotheses against the input or predicting a probability distribution, but these approaches suffer from significant computational overhead. Here, we show that representing object rotation with a neural population code overcomes these limitations, enabling a direct mapping to rotation and end-to-end learning. As a result, population codes facilitate fast and accurate pose estimation. On the T-LESS dataset, we achieve inference in 3.2 milliseconds on an Apple M1 CPU and a Maximum Symmetry-Aware Surface Distance accuracy of 84.7% using only gray-scale image input, compared to 69.7% accuracy when directly mapping to pose.
Authors: Borui Yang, Md Afif Al Mamun, Jie M. Zhang, Gias Uddin
Abstract: Large Language Models (LLMs) are prone to hallucinations, e.g., factually incorrect information, in their responses. These hallucinations present challenges for LLM-based applications that demand high factual accuracy. Existing hallucination detection methods primarily depend on external resources, which can suffer from issues such as low availability, incomplete coverage, privacy concerns, high latency, low reliability, and poor scalability. There are also methods depending on output probabilities, which are often inaccessible for closed-source LLMs like GPT models. This paper presents MetaQA, a self-contained hallucination detection approach that leverages metamorphic relation and prompt mutation. Unlike existing methods, MetaQA operates without any external resources and is compatible with both open-source and closed-source LLMs. MetaQA is based on the hypothesis that if an LLM's response is a hallucination, the designed metamorphic relations will be violated. We compare MetaQA with the state-of-the-art zero-resource hallucination detection method, SelfCheckGPT, across multiple datasets, and on two open-source and two closed-source LLMs. Our results reveal that MetaQA outperforms SelfCheckGPT in terms of precision, recall, and f1 score. For the four LLMs we study, MetaQA outperforms SelfCheckGPT with a superiority margin ranging from 0.041 - 0.113 (for precision), 0.143 - 0.430 (for recall), and 0.154 - 0.368 (for F1-score). For instance, with Mistral-7B, MetaQA achieves an average F1-score of 0.435, compared to SelfCheckGPT's F1-score of 0.205, representing an improvement rate of 112.2%. MetaQA also demonstrates superiority across all different categories of questions.
Authors: Yifan Zhang, Wenyu Du, Dongming Jin, Jie Fu, Zhi Jin
Abstract: Chain-of-Thought (CoT) significantly enhances the performance of large language models (LLMs) across a wide range of tasks, and prior research shows that CoT can theoretically increase expressiveness. However, there is limited mechanistic understanding of the algorithms that Transformer+CoT can learn. In this work, we (1) evaluate the state tracking capabilities of Transformer+CoT and its variants, confirming the effectiveness of CoT. (2) Next, we identify the circuit, a subset of model components, responsible for tracking the world state, finding that late-layer MLP neurons play a key role. We propose two metrics, compression and distinction, and show that the neuron sets for each state achieve nearly 100% accuracy, providing evidence of an implicit finite state automaton (FSA) embedded within the model. (3) Additionally, we explore three realistic settings: skipping intermediate steps, introducing data noise, and testing length generalization. Our results demonstrate that Transformer+CoT learns robust algorithms (FSA), highlighting its resilience in challenging scenarios.
Authors: S. Chen, D. Ma, M. Raviselvan, S. Sundaramoorthy, K. Popuri, M. J. Ju, M. V. Sarunic, D. Ratra, M. F. Beg
Abstract: This study presents an AI-driven pipeline for automated retinal segmentation and thickness analysis in diabetic retinopathy (DR) using SD-OCT imaging. A deep neural network was trained to segment ten retinal layers, intra-retinal fluid, and hyperreflective foci (HRF), with performance evaluated across multiple architectures. SwinUNETR achieved the highest segmentation accuracy, while VM-Unet excelled in specific layers. Analysis revealed distinct thickness variations between NPDR and PDR, with correlations between layer thickness and visual acuity. The proposed method enhances DR assessment by reducing manual annotation effort and providing clinically relevant thickness maps for disease monitoring and treatment planning.
Authors: Lu Dai, Yijie Xu, Jinhui Ye, Hao Liu, Hui Xiong
Abstract: Large Language Models (LLMs) have demonstrated improved generation performance by incorporating externally retrieved knowledge, a process known as retrieval-augmented generation (RAG). Despite the potential of this approach, existing studies evaluate RAG effectiveness by 1) assessing retrieval and generation components jointly, which obscures retrieval's distinct contribution, or 2) examining retrievers using traditional metrics such as NDCG, which creates a gap in understanding retrieval's true utility in the overall generation process. To address the above limitations, in this work, we introduce an automatic evaluation method that measures retrieval quality through the lens of information gain within the RAG framework. Specifically, we propose Semantic Perplexity (SePer), a metric that captures the LLM's internal belief about the correctness of the retrieved information. We quantify the utility of retrieval by the extent to which it reduces semantic perplexity post-retrieval. Extensive experiments demonstrate that SePer not only aligns closely with human preferences but also offers a more precise and efficient evaluation of retrieval utility across diverse RAG scenarios.
Authors: Hang Zheng, Hongshen Xu, Yuncong Liu, Lu Chen, Pascale Fung, Kai Yu
Abstract: Large language models (LLMs) frequently hallucinate due to misaligned self-awareness, generating erroneous outputs when addressing queries beyond their knowledge boundaries. While existing approaches mitigate hallucinations via uncertainty estimation or query rejection, they suffer from computational inefficiency or sacrificed helpfulness. To address these issues, we propose the Explicit Knowledge Boundary Modeling (EKBM) framework, integrating fast and slow reasoning systems to harmonize reliability and usability. The framework first employs a fast-thinking model to generate confidence-labeled responses, enabling immediate use of high-confidence outputs. For uncertain predictions, a slow refinement model conducts targeted reasoning to improve accuracy. To align model behavior with our proposed object, we propose a hybrid training pipeline, enhancing self-awareness without degrading task performance. Evaluations on dialogue state tracking tasks demonstrate that EKBM achieves superior model reliability over uncertainty-based baselines. Further analysis reveals that refinement substantially boosts accuracy while maintaining low computational overhead. Our work establishes a scalable paradigm for advancing LLM reliability and balancing accuracy and practical utility in error-sensitive applications.
Authors: Purba Mukherjee, Anjan A Sen
Abstract: We perform a model-independent reconstruction of the angular diameter distance ($D_{A}$) using the Multi-Task Gaussian Process (MTGP) framework with DESI-DR1 BAO and DES-SN5YR datasets. We calibrate the comoving sound horizon at the baryon drag epoch $r_d$ to the Planck best-fit value, ensuring consistency with early-universe physics. With the reconstructed $D_A$ at two key redshifts, $z\sim 1.63$ (where $D_{A}^{\prime} =0$) and at $z\sim 0.512$ (where $D_{A}^{\prime} = D_{A}$), we derive the expansion rate of the Universe $H(z)$ at these redshifts. Our findings reveal that at $z\sim 1.63$, the $H(z)$ is fully consistent with the Planck-2018 $\Lambda$CDM prediction, confirming no new physics at that redshift. However, at $z \sim 0.512$, the derived $H(z)$ shows a more than $5\sigma$ discrepancy with the Planck-2018 $\Lambda$CDM prediction, suggesting a possible breakdown of the $\Lambda$CDM model as constrained by Planck-2018 at this lower redshift. This emerging $\sim 5\sigma$ tension at $z\sim 0.512$, distinct from the existing ``Hubble Tension'', may signal the first strong evidence for new physics at low redshifts.
Authors: Justin Chih-Yao Chen, Sukwon Yun, Elias Stengel-Eskin, Tianlong Chen, Mohit Bansal
Abstract: Combining existing pre-trained expert LLMs is a promising avenue for scalably tackling large-scale and diverse tasks. However, selecting experts at the task level is often too coarse-grained, as heterogeneous tasks may require different expertise for each instance. To enable adaptive instance-level mixing of pre-trained LLM experts, we propose Symbolic-MoE, a symbolic, text-based, and gradient-free Mixture-of-Experts framework. Symbolic-MoE takes a fine-grained approach to selection by emphasizing skills, e.g., algebra in math or molecular biology in biomedical reasoning. We propose a skill-based recruiting strategy that dynamically selects the most relevant set of expert LLMs for diverse reasoning tasks based on their strengths. Each selected expert then generates its own reasoning, resulting in k outputs from k experts, which are then synthesized into a final high-quality response by an aggregator chosen based on its ability to integrate diverse reasoning outputs. We show that Symbolic-MoE's instance-level expert selection improves performance by a large margin but -- when implemented naively -- can introduce a high computational overhead due to the need for constant model loading and offloading. To address this, we implement a batch inference strategy that groups instances based on their assigned experts, loading each model only once. This allows us to integrate 16 expert models on 1 GPU with a time cost comparable to or better than prior multi-agent baselines using 4 GPUs. Through extensive evaluations on diverse benchmarks (MMLU-Pro, GPQA, AIME, and MedMCQA), we demonstrate that Symbolic-MoE outperforms strong LLMs like GPT4o-mini, as well as multi-agent approaches, with an absolute average improvement of 8.15% over the best multi-agent baseline. Moreover, Symbolic-MoE removes the need for expensive multi-round discussions, outperforming discussion baselines with less computation.
Authors: Keyao Zhan, Puheng Li, Lei Wu
Abstract: It was empirically observed in Entezari et al. (2021) that when accounting for the permutation invariance of neural networks, there is likely no loss barrier along the linear interpolation between two SGD solutions -- a phenomenon known as linear mode connectivity (LMC) modulo permutation. This phenomenon has sparked significant attention due to both its theoretical interest and practical relevance in applications such as model merging. In this paper, we provide a fine-grained analysis of this phenomenon for two-layer ReLU networks under a teacher-student setup. We show that as the student network width $m$ increases, the LMC loss barrier modulo permutation exhibits a double descent behavior. Particularly, when $m$ is sufficiently large, the barrier decreases to zero at a rate $O(m^{-1/2})$. Notably, this rate does not suffer from the curse of dimensionality and demonstrates how substantial permutation can reduce the LMC loss barrier. Moreover, we observe a sharp transition in the sparsity of GD/SGD solutions when increasing the learning rate and investigate how this sparsity preference affects the LMC loss barrier modulo permutation. Experiments on both synthetic and MNIST datasets corroborate our theoretical predictions and reveal a similar trend for more complex network architectures.
Authors: Simon Nguyen, Kentaro Hoffman, Tyler McCormick
Abstract: Collecting labeled data for machine learning models is often expensive and time-consuming. Active learning addresses this challenge by selectively labeling the most informative observations, but when initial labeled data is limited, it becomes difficult to distinguish genuinely informative points from those appearing uncertain primarily due to noise. Ensemble methods like random forests are a powerful approach to quantifying this uncertainty but do so by aggregating all models indiscriminately. This includes poor performing models and redundant models, a problem that worsens in the presence of noisy data. We introduce UNique Rashomon Ensembled Active Learning (UNREAL), which selectively ensembles only distinct models from the Rashomon set, which is the set of nearly optimal models. Restricting ensemble membership to high-performing models with different explanations helps distinguish genuine uncertainty from noise-induced variation. We show that UNREAL achieves faster theoretical convergence rates than traditional active learning approaches and demonstrates empirical improvements of up to 20% in predictive accuracy across five benchmark datasets, while simultaneously enhancing model interpretability.
Authors: Ali Baheri, Cecilia O. Alm
Abstract: We present a hierarchical neuro-symbolic control framework that couples classical symbolic planning with transformer-based policies to address complex, long-horizon decision-making tasks. At the high level, a symbolic planner constructs an interpretable sequence of operators based on logical propositions, ensuring systematic adherence to global constraints and goals. At the low level, each symbolic operator is translated into a sub-goal token that conditions a decision transformer to generate a fine-grained sequence of actions in uncertain, high-dimensional environments. We provide theoretical analysis showing how approximation errors from both the symbolic planner and the neural execution layer accumulate. Empirical evaluations in grid-worlds with multiple keys, locked doors, and item-collection tasks show that our hierarchical approach outperforms purely end-to-end neural approach in success rates and policy efficiency.