Authors: Yuzong Chen, Xilai Dai, Chi-chih Chang, Yash Akhauri, Mohamed S. Abdelfattah
Abstract: Large language models (LLMs) have demonstrated remarkable performance across various machine learning tasks, quickly becoming one of the most prevalent AI workloads. Yet the substantial memory requirement of LLMs significantly hinders their deployment for end users. Post-training quantization (PTQ) serves as one of the most hardware-efficient methods to mitigate the memory and computational demands of LLMs. Although the traditional integer (INT) datatype has received widespread adoption in PTQ methods, floating-point (FP) quantization has emerged as a viable alternative thanks to its effectiveness in fitting LLM numerical distributions. However, the FP datatype in sign-magnitude binary representation contains both positive and negative zero, which constrains its representation capability, particularly under low precision (3 and 4 bits). In this paper, we extend the basic FP datatype to perform Redundant Zero Remapping (RaZeR), which remaps the negative zero FP encoding to a set of pre-defined special values to maximally utilize FP quantization encodings and to better fit LLM numerical distributions. Through careful selection of special values, RaZeR outperforms conventional asymmetric INT quantization while achieving high computational efficiency. We demonstrate that RaZeR can be seamlessly integrated with quantization algorithms for both weights and KV-cache, including advanced methods with clipping and transformations, and consistently achieve better model accuracy. Additionally, we implement a fast GEMV kernel with fused dequantization that efficiently converts the 4-bit RaZeR value to FP16 through novel bit-level manipulation. On modern GPUs, our evaluation shows that RaZeR improves the GEMV speed by up to 7.56$\times$ compared to the FP16 implementation, while achieving up to 2.72$\times$ speedup in the LLM decoding throughput.
Authors: Mei Wu, Wenchao Weng, Jun Li, Yiqian Lin, Jing Chen, Dewen Seng
Abstract: In recent years, traffic flow prediction has played a crucial role in the management of intelligent transportation systems. However, traditional prediction methods are often limited by static spatial modeling, making it difficult to accurately capture the dynamic and complex relationships between time and space, thereby affecting prediction accuracy. This paper proposes an innovative traffic flow prediction network, SFADNet, which categorizes traffic flow into multiple traffic patterns based on temporal and spatial feature matrices. For each pattern, we construct an independent adaptive spatio-temporal fusion graph based on a cross-attention mechanism, employing residual graph convolution modules and time series modules to better capture dynamic spatio-temporal relationships under different fine-grained traffic patterns. Extensive experimental results demonstrate that SFADNet outperforms current state-of-the-art baselines across four large-scale datasets.
Authors: Hongruyu Chen, Helena Aebersold, Milo Alan Puhan, Miquel Serra-Burriel
Abstract: Causal machine learning (ML) methods hold great promise for advancing precision medicine by estimating personalized treatment effects. However, their reliability remains largely unvalidated in empirical settings. In this study, we assessed the internal and external validity of 17 mainstream causal heterogeneity ML methods -- including metalearners, tree-based methods, and deep learning methods -- using data from two large randomized controlled trials: the International Stroke Trial (N=19,435) and the Chinese Acute Stroke Trial (N=21,106). Our findings reveal that none of the ML methods reliably validated their performance, neither internal nor external, showing significant discrepancies between training and test data on the proposed evaluation metrics. The individualized treatment effects estimated from training data failed to generalize to the test data, even in the absence of distribution shifts. These results raise concerns about the current applicability of causal ML models in precision medicine, and highlight the need for more robust validation techniques to ensure generalizability.
Authors: Guoxing Tang, Yugen Du, Xia Chen, Yingwei Luo, Benchi Ma
Abstract: Nowadays, there are many similar services available on the internet, making Quality of Service (QoS) a key concern for users. Since collecting QoS values for all services through user invocations is impractical, predicting QoS values is a more feasible approach. Matrix factorization is considered an effective prediction method. However, most existing matrix factorization algorithms focus on capturing global similarities between users and services, overlooking the local similarities between users and their similar neighbors, as well as the non-interactive effects between users and services. This paper proposes a matrix factorization approach based on user information entropy and region bias, which utilizes a similarity measurement method based on fuzzy information entropy to identify similar neighbors of users. Simultaneously, it integrates the region bias between each user and service linearly into matrix factorization to capture the non-interactive features between users and services. This method demonstrates improved predictive performance in more realistic and complex network environments. Additionally, numerous experiments are conducted on real-world QoS datasets. The experimental results show that the proposed method outperforms some of the state-of-the-art methods in the field at matrix densities ranging from 5% to 20%.
Authors: Yuqi Li, Xingyou Lin, Kai Zhang, Chuanguang Yang, Zhongliang Guo, Jianping Gou, Yanli Li
Abstract: Federated Learning (FL) provides novel solutions for machine learning (ML)-based lithography hotspot detection (LHD) under distributed privacy-preserving settings. Currently, two research pipelines have been investigated to aggregate local models and achieve global consensus, including parameter/nonparameter based (also known as knowledge distillation, namely KD). While these two kinds of methods show effectiveness in specific scenarios, we note they have not fully utilized and transferred the information learned, leaving the potential of FL-based LDH remains unexplored. Thus, we propose FedKDhybrid in this study to mitigate the research gap. Specifically, FedKD-hybrid clients agree on several identical layers across all participants and a public dataset for achieving global consensus. During training, the trained local model will be evaluated on the public dataset, and the generated logits will be uploaded along with the identical layer parameters. The aggregated information is consequently used to update local models via the public dataset as a medium. We compare our proposed FedKD-hybrid with several state-of-the-art (SOTA) FL methods under ICCAD-2012 and FAB (real-world collected) datasets with different settings; the experimental results demonstrate the superior performance of the FedKD-hybrid algorithm. Our code is available at https://github.com/itsnotacie/NN-FedKD-hybrid
Authors: Jamie Todd, Junqi Jiang, Aaron Russo, Steffen Winkler, Stuart Sale, Joseph McMillan, Antonio Rago
Abstract: Formula One (F1) race strategy takes place in a high-pressure and fast-paced environment where split-second decisions can drastically affect race results. Two of the core decisions of race strategy are when to make pit stops (i.e. replace the cars' tyres) and which tyre compounds (hard, medium or soft, in normal conditions) to select. The optimal pit stop decisions can be determined by estimating the tyre degradation of these compounds, which in turn can be computed from the energy applied to each tyre, i.e. the tyre energy. In this work, we trained deep learning models, using the Mercedes-AMG PETRONAS F1 team's historic race data consisting of telemetry, to forecast tyre energies during races. Additionally, we fitted XGBoost, a decision tree-based machine learning algorithm, to the same dataset and compared the results, with both giving impressive performance. Furthermore, we incorporated two different explainable AI methods, namely feature importance and counterfactual explanations, to gain insights into the reasoning behind the forecasts. Our contributions thus result in an explainable, automated method which could assist F1 teams in optimising their race strategy.
Authors: Devin Thomas, Junqi Jiang, Avinash Kori, Aaron Russo, Steffen Winkler, Stuart Sale, Joseph McMillan, Francesco Belardinelli, Antonio Rago
Abstract: In Formula One, teams compete to develop their cars and achieve the highest possible finishing position in each race. During a race, however, teams are unable to alter the car, so they must improve their cars' finishing positions via race strategy, i.e. optimising their selection of which tyre compounds to put on the car and when to do so. In this work, we introduce a reinforcement learning model, RSRL (Race Strategy Reinforcement Learning), to control race strategies in simulations, offering a faster alternative to the industry standard of hard-coded and Monte Carlo-based race strategies. Controlling cars with a pace equating to an expected finishing position of P5.5 (where P1 represents first place and P20 is last place), RSRL achieves an average finishing position of P5.33 on our test race, the 2023 Bahrain Grand Prix, outperforming the best baseline of P5.63. We then demonstrate, in a generalisability study, how performance for one track or multiple tracks can be prioritised via training. Further, we supplement model predictions with feature importance, decision tree-based surrogate models, and decision tree counterfactuals towards improving user trust in the model. Finally, we provide illustrations which exemplify our approach in real-world situations, drawing parallels between simulations and reality.
Authors: Xiaoqing Zhang, Ang Lv, Yuhan Liu, Flood Sung, Wei Liu, Shuo Shang, Xiuying Chen, Rui Yan
Abstract: Large language models (LLMs) excel at few-shot in-context learning (ICL) without requiring parameter updates. However, as the number of ICL demonstrations increases from a few to many, performance tends to plateau and eventually decline. We identify two primary causes for this trend: the suboptimal negative log-likelihood (NLL) optimization objective and the incremental data noise. To address these issues, we introduce DR-ICL, a novel optimization method that enhances model performance through Differentiated Learning and advantage-based Reweighting objectives. Globally, DR-ICL utilizes differentiated learning to optimize the NLL objective, ensuring that many-shot performance surpasses zero-shot levels. Locally, it dynamically adjusts the weighting of many-shot demonstrations by leveraging cumulative advantages inspired by reinforcement learning, thereby improving generalization. This approach allows the model to handle varying numbers of shots effectively, mitigating the impact of noisy data. Recognizing the lack of multi-task datasets with diverse many-shot distributions, we develop the Many-Shot ICL Benchmark (MICLB)-a large-scale benchmark covering shot numbers from 1 to 350 within sequences of up to 8,000 tokens-for fine-tuning purposes. MICLB facilitates the evaluation of many-shot ICL strategies across seven prominent NLP tasks and 50 distinct datasets. Experimental results demonstrate that LLMs enhanced with DR-ICL achieve significant improvements in many-shot setups across various tasks, including both in-domain and out-of-domain scenarios. We release the code and benchmark dataset hoping to facilitate further research in many-shot ICL.
Authors: I Made Putrama, Peter Martinek
Abstract: Imbalanced multiclass datasets pose challenges for machine learning algorithms. These datasets often contain minority classes that are important for accurate prediction. Existing methods still suffer from sparse data and may not accurately represent the original data patterns, leading to noise and poor model performance. A hybrid method called Neighbor Displacement-based Enhanced Synthetic Oversampling (NDESO) is proposed in this paper. This approach uses a displacement strategy for noisy data points, computing the average distance to their neighbors and moving them closer to their centroids. Random oversampling is then performed to achieve dataset balance. Extensive evaluations compare 14 alternatives on nine classifiers across synthetic and 20 real-world datasets with varying imbalance ratios. The results show that our method outperforms its competitors regarding average G-mean score and achieves the lowest statistical mean rank. This highlights its superiority and suitability for addressing data imbalance in practical applications.
Authors: Song Wang, Xiaodong Yang, Rashidul Islam, Huiyuan Chen, Minghua Xu, Jundong Li, Yiwei Cai
Abstract: To deal with distribution shifts in graph data, various graph out-of-distribution (OOD) generalization techniques have been recently proposed. These methods often employ a two-step strategy that first creates augmented environments and subsequently identifies invariant subgraphs to improve generalizability. Nevertheless, this approach could be suboptimal from the perspective of consistency. First, the process of augmenting environments by altering the graphs while preserving labels may lead to graphs that are not realistic or meaningfully related to the origin distribution, thus lacking distribution consistency. Second, the extracted subgraphs are obtained from directly modifying graphs, and may not necessarily maintain a consistent predictive relationship with their labels, thereby impacting label consistency. In response to these challenges, we introduce an innovative approach that aims to enhance these two types of consistency for graph OOD generalization. We propose a modifier to obtain both augmented and invariant graphs in a unified manner. With the augmented graphs, we enrich the training data without compromising the integrity of label-graph relationships. The label consistency enhancement in our framework further preserves the supervision information in the invariant graph. We conduct extensive experiments on real-world datasets to demonstrate the superiority of our framework over other state-of-the-art baselines.
Authors: Ruyin Wan, Ehsan Kharazmi, Michael S Triantafyllou, George Em Karniadakis
Abstract: We introduce DeepVIVONet, a new framework for optimal dynamic reconstruction and forecasting of the vortex-induced vibrations (VIV) of a marine riser, using field data. We demonstrate the effectiveness of DeepVIVONet in accurately reconstructing the motion of an off--shore marine riser by using sparse spatio-temporal measurements. We also show the generalization of our model in extrapolating to other flow conditions via transfer learning, underscoring its potential to streamline operational efficiency and enhance predictive accuracy. The trained DeepVIVONet serves as a fast and accurate surrogate model for the marine riser, which we use in an outer--loop optimization algorithm to obtain the optimal locations for placing the sensors. Furthermore, we employ an existing sensor placement method based on proper orthogonal decomposition (POD) to compare with our data-driven approach. We find that that while POD offers a good approach for initial sensor placement, DeepVIVONet's adaptive capabilities yield more precise and cost-effective configurations.
Authors: Yaozhong Shi, Zachary E. Ross, Domniki Asimaki, Kamyar Azizzadenesheli
Abstract: Expanding on neural operators, we propose a novel framework for stochastic process learning across arbitrary domains. In particular, we develop operator flow matching (\alg) for learning stochastic process priors on function spaces. \alg provides the probability density of the values of any collection of points and enables mathematically tractable functional regression at new points with mean and density estimation. Our method outperforms state-of-the-art models in stochastic process learning, functional regression, and prior learning.
Authors: Nurit Cohen-Inger, Seffi Cohen, Neomi Rabaev, Lior Rokach, Bracha Shapira
Abstract: As machine learning (ML) systems increasingly impact critical sectors such as hiring, financial risk assessments, and criminal justice, the imperative to ensure fairness has intensified due to potential negative implications. While much ML fairness research has focused on enhancing training data and processes, addressing the outputs of already deployed systems has received less attention. This paper introduces 'BiasGuard', a novel approach designed to act as a fairness guardrail in production ML systems. BiasGuard leverages Test-Time Augmentation (TTA) powered by Conditional Generative Adversarial Network (CTGAN), a cutting-edge generative AI model, to synthesize data samples conditioned on inverted protected attribute values, thereby promoting equitable outcomes across diverse groups. This method aims to provide equal opportunities for both privileged and unprivileged groups while significantly enhancing the fairness metrics of deployed systems without the need for retraining. Our comprehensive experimental analysis across diverse datasets reveals that BiasGuard enhances fairness by 31% while only reducing accuracy by 0.09% compared to non-mitigated benchmarks. Additionally, BiasGuard outperforms existing post-processing methods in improving fairness, positioning it as an effective tool to safeguard against biases when retraining the model is impractical.
Authors: Dong Hyun Jeon, Wenbo Sun, Houbing Herbert Song, Dongfang Liu, Velasquez Alvaro, Yixin Chloe Xie, Shuteng Niu
Abstract: While deep-learning-enabled recommender systems demonstrate strong performance benchmarks, many struggle to adapt effectively in real-world environments due to limited use of user-item relationship data and insufficient transparency in recommendation generation. Traditional collaborative filtering approaches fail to integrate multifaceted item attributes, and although Factorization Machines account for item-specific details, they overlook broader relational patterns. Collaborative knowledge graph-based models have progressed by embedding user-item interactions with item-attribute relationships, offering a holistic perspective on interconnected entities. However, these models frequently aggregate attribute and interaction data in an implicit manner, leaving valuable relational nuances underutilized. This study introduces the Knowledge Graph Attention Network with Information Fusion (KGIF), a specialized framework designed to merge entity and relation embeddings explicitly through a tailored self-attention mechanism. The KGIF framework integrates reparameterization via dynamic projection vectors, enabling embeddings to adaptively represent intricate relationships within knowledge graphs. This explicit fusion enhances the interplay between user-item interactions and item-attribute relationships, providing a nuanced balance between user-centric and item-centric representations. An attentive propagation mechanism further optimizes knowledge graph embeddings, capturing multi-layered interaction patterns. The contributions of this work include an innovative method for explicit information fusion, improved robustness for sparse knowledge graphs, and the ability to generate explainable recommendations through interpretable path visualization.
Authors: L. Berlyand, V. Slavin
Abstract: We present numerical and analytical results on the formation and stability of a family of fixed points of deep neural networks (DNNs). Such fixed points appear in a class of DNNs when dimensions of input and output vectors are the same. We demonstrate examples of applications of such networks in supervised, semi-supervised and unsupervised learning such as encoding/decoding of images, restoration of damaged images among others. We present several numerical and analytical results. First, we show that for untrained DNN's with weights and biases initialized by normally distributed random variables the only one fixed point exists. This result holds for DNN with any depth (number of layers) $L$, any layer width $N$, and sigmoid-type activation functions. Second, it has been shown that for a DNN whose parameters (weights and biases) are initialized by ``light-tailed'' distribution of weights (e.g. normal distribution), after training the distribution of these parameters become ``heavy-tailed''. This motivates our study of DNNs with ``heavy-tailed'' initialization. For such DNNs we show numerically %existence and stability that training leads to emergence of $Q(N,L)$ fixed points, where $Q(N,L)$ is a positive integer which depends on the number of layers $L$ and layer width $N$. We further observe numerically that for fixed $N = N_0$ the function $Q(N_0, L)$ is non-monotone, that is it initially grows as $L$ increases and then decreases to 1. This non-monotone behavior of $Q(N_0, L)$ is also obtained by analytical derivation of equation for Empirical Spectral Distribution (ESD) of input-output Jacobian followed by numerical solution of this equation.
Authors: Sanghyeon Park, Soo-Mook Moon
Abstract: Large deep learning models have achieved remarkable success but are resource-intensive, posing challenges in computational cost and memory usage. We introduce CURing, a novel model compression method based on CUR matrix decomposition, which approximates weight matrices as the product of selected columns (C) and rows (R), and a small linking matrix (U). We apply this decomposition to weights chosen based on the combined influence of their magnitudes and activations. By identifying and retaining informative rows and columns, CURing significantly reduces model size with minimal performance loss. It preserves the original network's input/output structures, retains important features such as non-negativity, and the compressed model's activation patterns align with the original, thereby enhancing interpretability.
Authors: Wenying Duan, Shujun Guo, Wei huang, Hong Rao, Xiaoxi He
Abstract: Spatial-temporal data, fundamental to many intelligent applications, reveals dependencies indicating causal links between present measurements at specific locations and historical data at the same or other locations. Within this context, adaptive spatial-temporal graph neural networks (ASTGNNs) have emerged as valuable tools for modelling these dependencies, especially through a data-driven approach rather than pre-defined spatial graphs. While this approach offers higher accuracy, it presents increased computational demands. Addressing this challenge, this paper delves into the concept of localisation within ASTGNNs, introducing an innovative perspective that spatial dependencies should be dynamically evolving over time. We introduce \textit{DynAGS}, a localised ASTGNN framework aimed at maximising efficiency and accuracy in distributed deployment. This framework integrates dynamic localisation, time-evolving spatial graphs, and personalised localisation, all orchestrated around the Dynamic Graph Generator, a light-weighted central module leveraging cross attention. The central module can integrate historical information in a node-independent manner to enhance the feature representation of nodes at the current moment. This improved feature representation is then used to generate a dynamic sparse graph without the need for costly data exchanges, and it supports personalised localisation. Performance assessments across two core ASTGNN architectures and nine real-world datasets from various applications reveal that \textit{DynAGS} outshines current benchmarks, underscoring that the dynamic modelling of spatial dependencies can drastically improve model expressibility, flexibility, and system efficiency, especially in distributed settings.
Authors: Baojun Che, Yifan Chen, Zhenghao Huan, Daniel Zhengyu Huang, Weijie Wang
Abstract: This paper is concerned with the approximation of probability distributions known up to normalization constants, with a focus on Bayesian inference for large-scale inverse problems in scientific computing. In this context, key challenges include costly repeated evaluations of forward models, multimodality, and inaccessible gradients for the forward model. To address them, we develop a variational inference framework that combines Fisher-Rao natural gradient with specialized quadrature rules to enable derivative free updates of Gaussian mixture variational families. The resulting method, termed Derivative Free Gaussian Mixture Variational Inference (DF-GMVI), guarantees covariance positivity and affine invariance, offering a stable and efficient framework for approximating complex posterior distributions. The effectiveness of DF-GMVI is demonstrated through numerical experiments on challenging scenarios, including distributions with multiple modes, infinitely many modes, and curved modes in spaces with up to hundreds of dimensions. The method's practicality is further demonstrated in a large-scale application, where it successfully recovers the initial conditions of the Navier-Stokes equations from solution data at positive times.
Authors: Jiaxing Li, Wei Liu, Chao Xue, Yibing Zhan, Xiaoxing Wang, Weifeng Liu, Dacheng Tao
Abstract: Bayesian Optimization (BO) is a sample-efficient black-box optimizer commonly used in search spaces where hyperparameters are independent. However, in many practical AutoML scenarios, there will be dependencies among hyperparameters, forming a conditional search space, which can be partitioned into structurally distinct subspaces. The structure and dimensionality of hyperparameter configurations vary across these subspaces, challenging the application of BO. Some previous BO works have proposed solutions to develop multiple Gaussian Process models in these subspaces. However, these approaches tend to be inefficient as they require a substantial number of observations to guarantee each GP's performance and cannot capture relationships between hyperparameters across different subspaces. To address these issues, this paper proposes a novel approach to model the response surfaces of all subspaces in one, which can model the relationships between hyperparameters elegantly via a self-attention mechanism. Concretely, we design a structure-aware hyperparameter embedding to preserve the structural information. Then, we introduce an attention-based deep feature extractor, capable of projecting configurations with different structures from various subspaces into a unified feature space, where the response surfaces can be formulated using a single standard Gaussian Process. The empirical results on a simulation function, various real-world tasks, and HPO-B benchmark demonstrate that our proposed approach improves the efficacy and efficiency of BO within conditional search spaces.
Authors: Bahman Torkamandi
Abstract: In the realm of fractal geometry, intricate structures emerge from simple iterative processes that partition parameter spaces into regions of stability and instability. Likewise, training large language models involves iteratively applying update functions, such as Adam, where even slight hyperparameter adjustments can shift the training process from convergence to divergence. Recent evidence from miniature neural networks suggests that the boundary separating these outcomes displays fractal characteristics [1]. Building on these insights, this study extends them to medium-sized, decoder-only transformer architectures by employing a more consistent convergence measure and examining the learning rate hyperparameter landscape for attention and fully connected layers. The results show that the trainability frontier is not a simple threshold; rather, it forms a self-similar yet seemingly random structure at multiple scales, with statistically consistent and repeating patterns. Within this landscape, a region of stable convergence is surrounded by a complex chaotic border, illustrating the sensitive nature of the underlying training dynamics.
Authors: Keisuke Sugiura, Hiroki Matsutani
Abstract: Zeroth-order (ZO) optimization is being recognized as a simple yet powerful alternative to standard backpropagation (BP)-based training. Notably, ZO optimization allows for training with only forward passes and (almost) the same memory as inference, making it well-suited for edge devices with limited computing and memory resources. In this paper, we propose ZO-based on-device learning (ODL) methods for full-precision and 8-bit quantized deep neural networks (DNNs), namely ElasticZO and ElasticZO-INT8. ElasticZO lies in the middle between pure ZO- and pure BP-based approaches, and is based on the idea to employ BP for the last few layers and ZO for the remaining layers. ElasticZO-INT8 achieves integer arithmetic-only ZO-based training for the first time, by incorporating a novel method for computing quantized ZO gradients from integer cross-entropy loss values. Experimental results on the classification datasets show that ElasticZO effectively addresses the slow convergence of vanilla ZO and shrinks the accuracy gap to BP-based training. Compared to vanilla ZO, ElasticZO achieves 5.2-9.5% higher accuracy with only 0.072-1.7% memory overhead, and can handle fine-tuning tasks as well as full training. ElasticZO-INT8 further reduces the memory usage and training time by 1.46-1.60x and 1.38-1.42x without compromising the accuracy. These results demonstrate a better tradeoff between accuracy and training cost compared to pure ZO- and BP-based approaches, and also highlight the potential of ZO optimization in on-device learning.
Authors: Myeongho Jeon, Suhwan Choi, Hyoje Lee, Teresa Yeo
Abstract: Machine learning models, meticulously optimized for source data, often fail to predict target data when faced with distribution shifts (DSs). Previous benchmarking studies, though extensive, have mainly focused on simple DSs. Recognizing that DSs often occur in more complex forms in real-world scenarios, we broadened our study to include multiple concurrent shifts, such as unseen domain shifts combined with spurious correlations. We evaluated 26 algorithms that range from simple heuristic augmentations to zero-shot inference using foundation models, across 168 source-target pairs from eight datasets. Our analysis of over 100K models reveals that (i) concurrent DSs typically worsen performance compared to a single shift, with certain exceptions, (ii) if a model improves generalization for one distribution shift, it tends to be effective for others, and (iii) heuristic data augmentations achieve the best overall performance on both synthetic and real-world datasets.
Authors: Youran Zhou, Mohamed Reda Bouadjenek, Jonathan Wells, Sunil Aryal
Abstract: Handling incomplete data in real-world applications is a critical challenge due to two key limitations of existing methods: (i) they are primarily designed for numeric data and struggle with categorical or heterogeneous/mixed datasets; (ii) they assume that data is missing completely at random, which is often not the case in practice -- in reality, data is missing in patterns, leading to biased results if these patterns are not accounted for. To address these two limitations, this paper presents a novel approach to handling missing values using the Probability Mass Similarity Kernel (PMK), a data-dependent kernel, which does not make any assumptions about data types and missing mechanisms. It eliminates the need for prior knowledge or extensive pre-processing steps and instead leverages the distribution of observed data. Our method unifies the representation of diverse data types by capturing more meaningful pairwise similarities and enhancing downstream performance. We evaluated our approach across over 10 datasets with numerical-only, categorical-only, and mixed features under different missing mechanisms and rates. Across both classification and clustering tasks, our approach consistently outperformed existing techniques, demonstrating its robustness and effectiveness in managing incomplete heterogeneous data.
Authors: Alexander Scheinker
Abstract: Adaptive physics-informed super-resolution diffusion is developed for non-invasive virtual diagnostics of the 6D phase space density of charged particle beams. An adaptive variational autoencoder (VAE) embeds initial beam condition images and scalar measurements to a low-dimensional latent space from which a 326 pixel 6D tensor representation of the beam's 6D phase space density is generated. Projecting from a 6D tensor generates physically consistent 2D projections. Physics-guided super-resolution diffusion transforms low-resolution images of the 6D density to high resolution 256x256 pixel images. Un-supervised adaptive latent space tuning enables tracking of time-varying beams without knowledge of time-varying initial conditions. The method is demonstrated with experimental data and multi-particle simulations at the HiRES UED. The general approach is applicable to a wide range of complex dynamic systems evolving in high-dimensional phase space. The method is shown to be robust to distribution shift without re-training.
Authors: Jun Liu, Zhenglun Kong, Peiyan Dong, Xuan Shen, Pu Zhao, Hao Tang, Geng Yuan, Wei Niu, Wenbin Zhang, Xue Lin, Dong Huang, Yanzhi Wang
Abstract: Fine-tuning helps large language models (LLM) recover degraded information and enhance task performance.Although Low-Rank Adaptation (LoRA) is widely used and effective for fine-tuning, we have observed that its scaling factor can limit or even reduce performance as the rank size increases. To address this issue, we propose RoRA (Rank-adaptive Reliability Optimization), a simple yet effective method for optimizing LoRA's scaling factor. By replacing $\alpha/r$ with $\alpha/\sqrt{r}$, RoRA ensures improved performance as rank size increases. Moreover, RoRA enhances low-rank adaptation in fine-tuning uncompressed models and excels in the more challenging task of accuracy recovery when fine-tuning pruned models. Extensive experiments demonstrate the effectiveness of RoRA in fine-tuning both uncompressed and pruned models. RoRA surpasses the state-of-the-art (SOTA) in average accuracy and robustness on LLaMA-7B/13B, LLaMA2-7B, and LLaMA3-8B, specifically outperforming LoRA and DoRA by 6.5% and 2.9% on LLaMA-7B, respectively. In pruned model fine-tuning, RoRA shows significant advantages; for SHEARED-LLAMA-1.3, a LLaMA-7B with 81.4% pruning, RoRA achieves 5.7% higher average accuracy than LoRA and 3.9% higher than DoRA.
Authors: Shi Haonan, Ouyang Tu, Wang An
Abstract: Instruction tuning has proven effective in enhancing Large Language Models' (LLMs) performance on downstream tasks. However, real-world fine-tuning faces inherent conflicts between model providers' intellectual property protection, clients' data privacy requirements, and tuning costs. While recent approaches like split learning and offsite tuning demonstrate promising architectures for privacy-preserving fine-tuning, there is a gap in systematically addressing the multidimensional trade-offs required for diverse real-world deployments. We propose several indicative evaluation metrics to guide design trade-offs for privacy-preserving fine-tuning and a series of example designs, collectively named GuardedTuning; they result from novel combinations of system architectures with adapted privacy-enhancement methods and emerging computation techniques. Each design represents distinct trade-offs across model utility, privacy guarantees, and costs. Experimental results demonstrate that these designs protect against data reconstruction attacks while maintaining competitive fine-tuning performance.
Authors: Yekun Ke, Xiaoyu Li, Yingyu Liang, Zhizhou Sha, Zhenmei Shi, Zhao Song
Abstract: Recently, Visual Autoregressive ($\mathsf{VAR}$) Models introduced a groundbreaking advancement in the field of image generation, offering a scalable approach through a coarse-to-fine "next-scale prediction" paradigm. However, the state-of-the-art algorithm of $\mathsf{VAR}$ models in [Tian, Jiang, Yuan, Peng and Wang, NeurIPS 2024] takes $O(n^4)$ time, which is computationally inefficient. In this work, we analyze the computational limits and efficiency criteria of $\mathsf{VAR}$ Models through a fine-grained complexity lens. Our key contribution is identifying the conditions under which $\mathsf{VAR}$ computations can achieve sub-quadratic time complexity. Specifically, we establish a critical threshold for the norm of input matrices used in $\mathsf{VAR}$ attention mechanisms. Above this threshold, assuming the Strong Exponential Time Hypothesis ($\mathsf{SETH}$) from fine-grained complexity theory, a sub-quartic time algorithm for $\mathsf{VAR}$ models is impossible. To substantiate our theoretical findings, we present efficient constructions leveraging low-rank approximations that align with the derived criteria. This work initiates the study of the computational efficiency of the $\mathsf{VAR}$ model from a theoretical perspective. Our technique will shed light on advancing scalable and efficient image generation in $\mathsf{VAR}$ frameworks.
Authors: Thibaud Ardoin, Niklas Pauli, Benedikt Gro{\ss}, Mahsa Kholghi, Khan Reaz, Gerhard Wunder
Abstract: Ultra-wideband (UWB) is a state-of-the-art technology designed for applications requiring centimeter-level localization. Its widespread adoption by smartphone manufacturer naturally raises security and privacy concerns. Successfully implementing Radio Frequency Fingerprinting (RFF) to UWB could enable physical layer security, but might also allow undesired tracking of the devices. The scope of this paper is to explore the feasibility of applying RFF to UWB and investigates how well this technique generalizes across different environments. We collected a realistic dataset using off-the-shelf UWB devices with controlled variation in device positioning. Moreover, we developed an improved deep learning pipeline to extract the hardware signature from the signal data. In stable conditions, the extracted RFF achieves over 99% accuracy. While the accuracy decreases in more changing environments, we still obtain up to 76% accuracy in untrained locations.
Authors: Omer Amichay, Yishay Mansour
Abstract: We consider non-stationary multi-arm bandit (MAB) where the expected reward of each action follows a linear function of the number of times we executed the action. Our main result is a tight regret bound of $\tilde{\Theta}(T^{4/5}K^{3/5})$, by providing both upper and lower bounds. We extend our results to derive instance dependent regret bounds, which depend on the unknown parametrization of the linear drift of the rewards.
Authors: Xiaoye Miao, Bin Li, Yangyang Wu, Meng Xi, Xinkui Zhao, Jianwei Yin
Abstract: Privacy concerns arise as sensitive data proliferate. Despite decentralized federated learning (DFL) aggregating gradients from neighbors to avoid direct data transmission, it still poses indirect data leaks from the transmitted gradients. Existing privacy-preserving methods for DFL add noise to gradients. They either diminish the model predictive accuracy or suffer from ineffective gradient protection. In this paper, we propose a novel lossless privacy-preserving aggregation rule named LPPA to enhance gradient protection as much as possible but without loss of DFL model predictive accuracy. LPPA subtly injects the noise difference between the sent and received noise into transmitted gradients for gradient protection. The noise difference incorporates neighbors' randomness for each client, effectively safeguarding against data leaks. LPPA employs the noise flow conservation theory to ensure that the noise impact can be globally eliminated. The global sum of all noise differences remains zero, ensuring that accurate gradient aggregation is unaffected and the model accuracy remains intact. We theoretically prove that the privacy-preserving capacity of LPPA is \sqrt{2} times greater than that of noise addition, while maintaining comparable model accuracy to the standard DFL aggregation without noise injection. Experimental results verify the theoretical findings and show that LPPA achieves a 13% mean improvement in accuracy over noise addition. We also demonstrate the effectiveness of LPPA in protecting raw data and guaranteeing lossless model accuracy.
Authors: F\'elicien H\^eche, Biagio Nigro, Oussama Barakat, Stephan Robert-Nicoud
Abstract: Financial markets have experienced significant instabilities in recent years, creating unique challenges for trading and increasing interest in risk-averse strategies. Distributional Reinforcement Learning (RL) algorithms, which model the full distribution of returns rather than just expected values, offer a promising approach to managing market uncertainty. This paper investigates this potential by studying the effectiveness of three distributional RL algorithms for natural gas futures trading and exploring their capacity to develop risk-averse policies. Specifically, we analyze the performance and behavior of Categorical Deep Q-Network (C51), Quantile Regression Deep Q-Network (QR-DQN), and Implicit Quantile Network (IQN). To the best of our knowledge, these algorithms have never been applied in a trading context. These policies are compared against five Machine Learning (ML) baselines, using a detailed dataset provided by Predictive Layer SA, a company supplying ML-based strategies for energy trading. The main contributions of this study are as follows. (1) We demonstrate that distributional RL algorithms significantly outperform classical RL methods, with C51 achieving performance improvement of more than 32\%. (2) We show that training C51 and IQN to maximize CVaR produces risk-sensitive policies with adjustable risk aversion. Specifically, our ablation studies reveal that lower CVaR confidence levels increase risk aversion, while higher levels decrease it, offering flexible risk management options. In contrast, QR-DQN shows less predictable behavior. These findings emphasize the potential of distributional RL for developing adaptable, risk-averse trading strategies in volatile markets.
Authors: Pavel Kolev, Marin Vlastelica, Georg Martius
Abstract: While many algorithms for diversity maximization under imitation constraints are online in nature, many applications require offline algorithms without environment interactions. Tackling this problem in the offline setting, however, presents significant challenges that require non-trivial, multi-stage optimization processes with non-stationary rewards. In this work, we present a novel offline algorithm that enhances diversity using an objective based on Van der Waals (VdW) force and successor features, and eliminates the need to learn a previously used skill discriminator. Moreover, by conditioning the value function and policy on a pre-trained Functional Reward Encoding (FRE), our method allows for better handling of non-stationary rewards and provides zero-shot recall of all skills encountered during training, significantly expanding the set of skills learned in prior work. Consequently, our algorithm benefits from receiving a consistently strong diversity signal (VdW), and enjoys more stable and efficient training. We demonstrate the effectiveness of our method in generating diverse skills for two robotic tasks in simulation: locomotion of a quadruped and local navigation with obstacle traversal.
Authors: Na Yan, Yang Su, Yansha Deng, Robert Schober
Abstract: Federated learning (FL) provides a privacy-preserving solution for fine-tuning pre-trained large language models (LLMs) using distributed private datasets, enabling task-specific adaptation while preserving data privacy. However, fine-tuning the extensive parameters in LLMs is particularly challenging in resource-constrained federated scenarios due to the significant communication and computational costs. To gain a deeper understanding of how these challenges can be addressed, this article conducts a comparative analysis three advanced federated LLM (FedLLM) frameworks that integrate knowledge distillation (KD) and split learning (SL) to mitigate these issues: 1) FedLLMs, where clients upload model parameters or gradients to enable straightforward and effective fine-tuning; 2) KD-FedLLMs, which leverage KD for efficient knowledge sharing via logits; and 3) Split-FedLLMs, which split the LLMs into two parts, with one part executed on the client and the other one on the server, to balance the computational load. Each framework is evaluated based on key performance metrics, including model accuracy, communication overhead, and client-side computational load, offering insights into their effectiveness for various federated fine-tuning scenarios. Through this analysis, we identify framework-specific optimization opportunities to enhance the efficiency of FedLLMs and discuss broader research directions, highlighting open opportunities to better adapt FedLLMs for real-world applications. A use case is presented to demonstrate the performance comparison of these three frameworks under varying configurations and settings.
Authors: Melanija Kraljevska, Katerina Hlavackova-Schindler, Lukas Miklautz, Claudia Plant
Abstract: In current medical practice, patients undergoing depression treatment must wait four to six weeks before a clinician can assess medication response due to the delayed noticeable effects of antidepressants. Identification of a treatment response at any earlier stage is of great importance, since it can reduce the emotional and economic burden connected with the treatment. We approach the prediction of a patient response to a treatment as a classification problem, by utilizing the dynamic properties of EEG recordings on the 7th day of the treatment. We present a novel framework that applies motif discovery to extract meaningful features from EEG data distinguishing between depression treatment responders and non-responders. We applied our framework also to classification tasks in other psychiatric EEG datasets, namely to patients with symptoms of schizophrenia, pediatric patients with intractable seizures, and Alzheimer disease and dementia. We achieved high classification precision in all data sets. The results demonstrate that the dynamic properties of the EEGs may support clinicians in decision making both in diagnosis and in the prediction depression treatment response as early as on the 7th day of the treatment. To our best knowledge, our work is the first one using motifs in the depression diagnostics in general.
Authors: Bin Li, Xiaoye Miao, Yongheng Shang, Xinkui Zhao, Shuiguang Deng, Jianwei Yin
Abstract: Decentralized federated learning (DFL) is inherently vulnerable to poisoning attacks, as malicious clients can transmit manipulated model gradients to neighboring clients. Existing defense methods either reject suspicious gradients per iteration or restart DFL aggregation after detecting all malicious clients. They overlook the potential accuracy benefit from the discarded malicious gradients. In this paper, we propose a novel gradient purification defense, named GPD, that integrates seamlessly with existing DFL aggregation to defend against poisoning attacks. It aims to mitigate the harm in model gradients while retaining the benefit in model weights for enhancing accuracy. For each benign client in GPD, a recording variable is designed to track the historically aggregated gradients from one of its neighbors. It allows benign clients to precisely detect malicious neighbors and swiftly mitigate aggregated malicious gradients via historical consistency checks. Upon mitigation, GPD optimizes model weights via aggregating gradients solely from benign clients. This retains the previously beneficial portions from malicious clients and exploits the contributions from benign clients, thereby significantly enhancing the model accuracy. We analyze the convergence of GPD, as well as its ability to harvest high accuracy. Extensive experiments over three datasets demonstrate that, GPD is capable of mitigating poisoning attacks under both iid and non-iid data distributions. It significantly outperforms state-of-the-art defenses in terms of accuracy against various poisoning attacks.
Authors: Sarah Bee, Lawrence Bull, Nikolaos Dervilis, Keith Worden
Abstract: A Nonlinear Auto-Regressive with eXogenous inputs (NARX) model can be used to describe time-varying processes; where the output depends on both previous outputs and current/previous external input variables. One limitation of NARX models is their propensity to overfit and result in poor generalisation for future predictions. The proposed method to help to overcome the issue of overfitting is a NARX model which predicts outputs at both the current time and several lead times into the future. This is a form of multi-task learner (MTL); whereby the lead time outputs will regularise the current time output. This work shows that for high noise level, MTL can be used to regularise NARX with a lower Normalised Mean Square Error (NMSE) compared to the NMSE of the independent learner counterpart.
Authors: Alexander Quessy, Thomas Richardson, Sebastian East
Abstract: Reinforcement learning (RL) in the real world necessitates the development of procedures that enable agents to explore without causing harm to themselves or others. The most successful solutions to the problem of safe RL leverage offline data to learn a safe-set, enabling safe online exploration. However, this approach to safe-learning is often constrained by the demonstrations that are available for learning. In this paper we investigate the influence of the quantity and quality of data used to train the initial safe learning problem offline on the ability to learn safe-RL policies online. Specifically, we focus on tasks with spatially extended goal states where we have few or no demonstrations available. Classically this problem is addressed either by using hand-designed controllers to generate data or by collecting user-generated demonstrations. However, these methods are often expensive and do not scale to more complex tasks and environments. To address this limitation we propose an unsupervised RL-based offline data collection procedure, to learn complex and scalable policies without the need for hand-designed controllers or user demonstrations. Our research demonstrates the significance of providing sufficient demonstrations for agents to learn optimal safe-RL policies online, and as a result, we propose optimistic forgetting, a novel online safe-RL approach that is practical for scenarios with limited data. Further, our unsupervised data collection approach highlights the need to balance diversity and optimality for safe online exploration.
Authors: Guofeng Yang, Nanfei Jin, Wenjie Ai, Zhonghua Zheng, Yuhong He, Yong He
Abstract: Yield is one of the core goals of crop breeding. By predicting the potential yield of different breeding materials, breeders can screen these materials at various growth stages to select the best performing. Based on unmanned aerial vehicle remote sensing technology, high-throughput crop phenotyping data in breeding areas is collected to provide data support for the breeding decisions of breeders. However, the accuracy of current yield predictions still requires improvement, and the usability and user-friendliness of yield forecasting tools remain suboptimal. To address these challenges, this study introduces a hybrid method and tool for crop yield prediction, designed to allow breeders to interactively and accurately predict wheat yield by chatting with a large language model (LLM). First, the newly designed data assimilation algorithm is used to assimilate the leaf area index into the WOFOST model. Then, selected outputs from the assimilation process, along with remote sensing inversion results, are used to drive the time-series temporal fusion transformer model for wheat yield prediction. Finally, based on this hybrid method and leveraging an LLM with retrieval augmented generation technology, we developed an interactive yield prediction Web tool that is user-friendly and supports sustainable data updates. This tool integrates multi-source data to assist breeding decision-making. This study aims to accelerate the identification of high-yield materials in the breeding process, enhance breeding efficiency, and enable more scientific and smart breeding decisions.
Authors: Van Thien Nguyen, William Guicquero, Gilles Sicard
Abstract: Adjusting the quantization according to the data or to the model loss seems mandatory to enable a high accuracy in the context of quantized neural networks. This work presents Histogram-Equalized Quantization (HEQ), an adaptive framework for linear symmetric quantization. HEQ automatically adapts the quantization thresholds using a unique step size optimization. We empirically show that HEQ achieves state-of-the-art performances on CIFAR-10. Experiments on the STL-10 dataset even show that HEQ enables a proper training of our proposed logic-gated (OR, MUX) residual networks with a higher accuracy at a lower hardware complexity than previous work.
Authors: Hongxin Zhi, Hongtao Yu, Shaome Li, Xiuming Zhao, Yiteng Wu
Abstract: Adversarial training has proven to be a highly effective method for improving the robustness of deep neural networks against adversarial attacks. Nonetheless, it has been observed to exhibit a limitation in terms of robust fairness, characterized by a significant disparity in robustness across different classes. Recent efforts to mitigate this problem have turned to class-wise reweighted methods. However, these methods suffer from a lack of rigorous theoretical analysis and are limited in their exploration of the weight space, as they mainly rely on existing heuristic algorithms or intuition to compute weights. In addition, these methods fail to guarantee the consistency of the optimization direction due to the decoupled optimization of weights and the model parameters. They potentially lead to suboptimal weight assignments and consequently, a suboptimal model. To address these problems, this paper proposes a novel min-max training framework, Class Optimal Distribution Adversarial Training (CODAT), which employs distributionally robust optimization to fully explore the class-wise weight space, thus enabling the identification of the optimal weight with theoretical guarantees. Furthermore, we derive a closed-form optimal solution to the internal maximization and then get a deterministic equivalent objective function, which provides a theoretical basis for the joint optimization of weights and model parameters. Meanwhile, we propose a fairness elasticity coefficient for the evaluation of the algorithm with regard to both robustness and robust fairness. Experimental results on various datasets show that the proposed method can effectively improve the robust fairness of the model and outperform the state-of-the-art approaches.
Authors: Philipp Spitzer, Dominik Martin, Laurin Eichberger, Niklas K\"uhl
Abstract: Domain adaptation is a sub-field of machine learning that involves transferring knowledge from a source domain to perform the same task in the target domain. It is a typical challenge in machine learning that arises, e.g., when data is obtained from various sources or when using a data basis that changes over time. Recent advances in the field offer promising methods, but it is still challenging for researchers and practitioners to determine if domain adaptation is suitable for a given problem -- and, subsequently, to select the appropriate approach. This article employs design science research to develop a problem-oriented framework for domain adaptation, which is matured in three evaluation episodes. We describe a framework that distinguishes between five domain adaptation scenarios, provides recommendations for addressing each scenario, and offers guidelines for determining if a problem falls into one of these scenarios. During the multiple evaluation episodes, the framework is tested on artificial and real-world datasets and an experimental study involving 100 participants. The evaluation demonstrates that the framework has the explanatory power to capture any domain adaptation problem effectively. In summary, we provide clear guidance for researchers and practitioners who want to employ domain adaptation but lack in-depth knowledge of the possibilities.
Authors: Qingmei Wang, Yuxin Wu, Yujie Long, Jing Huang, Fengyuan Ran, Bing Su, Hongteng Xu
Abstract: An event sequence generated by a temporal point process is often associated with a hidden and structured event branching process that captures the triggering relations between its historical and current events. In this study, we design a new plug-and-play module based on the Bregman ADMM (BADMM) algorithm, which infers event branches associated with event sequences in the maximum likelihood estimation framework of temporal point processes (TPPs). Specifically, we formulate the inference of event branches as an optimization problem for the event transition matrix under sparse and low-rank constraints, which is embedded in existing TPP models or their learning paradigms. We can implement this optimization problem based on subspace clustering and sparse group-lasso, respectively, and solve it using the Bregman ADMM algorithm, whose unrolling leads to the proposed BADMM module. When learning a classic TPP (e.g., Hawkes process) by the expectation-maximization algorithm, the BADMM module helps derive structured responsibility matrices in the E-step. Similarly, the BADMM module helps derive low-rank and sparse attention maps for the neural TPPs with self-attention layers. The structured responsibility matrices and attention maps, which work as learned event transition matrices, indicate event branches, e.g., inferring isolated events and those key events triggering many subsequent events. Experiments on both synthetic and real-world data show that plugging our BADMM module into existing TPP models and learning paradigms can improve model performance and provide us with interpretable structured event branches. The code is available at \url{https://github.com/qingmeiwangdaily/BADMM_TPP}.
Authors: Nicol\`o Botteghi, Stefania Fresca, Mengwu Guo, Andrea Manzoni
Abstract: In this work, we devise a new, general-purpose reinforcement learning strategy for the optimal control of parametric partial differential equations (PDEs). Such problems frequently arise in applied sciences and engineering and entail a significant complexity when control and/or state variables are distributed in high-dimensional space or depend on varying parameters. Traditional numerical methods, relying on either iterative minimization algorithms or dynamic programming, while reliable, often become computationally infeasible. Indeed, in either way, the optimal control problem must be solved for each instance of the parameters, and this is out of reach when dealing with high-dimensional time-dependent and parametric PDEs. In this paper, we propose HypeRL, a deep reinforcement learning (DRL) framework to overcome the limitations shown by traditional methods. HypeRL aims at approximating the optimal control policy directly. Specifically, we employ an actor-critic DRL approach to learn an optimal feedback control strategy that can generalize across the range of variation of the parameters. To effectively learn such optimal control laws, encoding the parameter information into the DRL policy and value function neural networks (NNs) is essential. To do so, HypeRL uses two additional NNs, often called hypernetworks, to learn the weights and biases of the value function and the policy NNs. We validate the proposed approach on two PDE-constrained optimal control benchmarks, namely a 1D Kuramoto-Sivashinsky equation and a 2D Navier-Stokes equations, by showing that the knowledge of the PDE parameters and how this information is encoded, i.e., via a hypernetwork, is an essential ingredient for learning parameter-dependent control policies that can generalize effectively to unseen scenarios and for improving the sample efficiency of such policies.
Authors: Ramtin Zargari Marandi, Anne Svane Frahm, Jens Lundgren, Daniel Dawson Murray, Maja Milojevic
Abstract: While machine learning offers diverse techniques suitable for exploring various medical research questions, a cohesive synergistic framework can facilitate the integration and understanding of new approaches within unified model development and interpretation. We therefore introduce the Medical Artificial Intelligence Toolbox (MAIT), an explainable, open-source Python pipeline for developing and evaluating binary classification, regression, and survival models on tabular datasets. MAIT addresses key challenges (e.g., high dimensionality, class imbalance, mixed variable types, and missingness) while promoting transparency in reporting (TRIPOD+AI compliant). Offering automated configurations for beginners and customizable source code for experts, MAIT streamlines two primary use cases: Discovery (feature importance via unified scoring, e.g., SHapley Additive exPlanations - SHAP) and Prediction (model development and deployment with optimized solutions). Moreover, MAIT proposes new techniques including fine-tuning of probability threshold in binary classification, translation of cumulative hazard curves to binary classification, enhanced visualizations for model interpretation for mixed data types, and handling censoring through semi-supervised learning, to adapt to a wide set of data constraints and study designs. We provide detailed tutorials on GitHub, using four open-access data sets, to demonstrate how MAIT can be used to improve implementation and interpretation of ML models in medical research.
Authors: Haipeng Ding, Zhewei Wei, Yuhang Ye
Abstract: Graph Neural Networks (GNNs) play a pivotal role in graph-based tasks for their proficiency in representation learning. Among the various GNN methods, spectral GNNs employing polynomial filters have shown promising performance on tasks involving both homophilous and heterophilous graph structures. However, The scalability of spectral GNNs on large graphs is limited because they learn the polynomial coefficients through multiple forward propagation executions during forward propagation. Existing works have attempted to scale up spectral GNNs by eliminating the linear layers on the input node features, a change that can disrupt end-to-end training, potentially impact performance, and become impractical with high-dimensional input features. To address the above challenges, we propose "Spectral Graph Neural Networks with Laplacian Sparsification (SGNN-LS)", a novel graph spectral sparsification method to approximate the propagation patterns of spectral GNNs. We prove that our proposed method generates Laplacian sparsifiers that can approximate both fixed and learnable polynomial filters with theoretical guarantees. Our method allows the application of linear layers on the input node features, enabling end-to-end training as well as the handling of raw text features. We conduct an extensive experimental analysis on datasets spanning various graph scales and properties to demonstrate the superior efficiency and effectiveness of our method. The results show that our method yields superior results in comparison with the corresponding approximated base models, especially on dataset Ogbn-papers100M(111M nodes, 1.6B edges) and MAG-scholar-C (2.8M features).
Authors: Niklas Babendererde, Haozhe Zhu, Moritz Fuchs, Jonathan Stieber, Anirban Mukhopadhyay
Abstract: Federated- and Continual Learning have been established as approaches to enable privacy-aware learning on continuously changing data, as required for deploying AI systems in histopathology images. However, data shifts can occur in a dynamic world, spatially between institutions and temporally, due to changing data over time. This leads to two issues: Client Drift, where the central model degrades from aggregating data from clients trained on shifted data, and Catastrophic Forgetting, from temporal shifts such as changes in patient populations. Both tend to degrade the model's performance of previously seen data or spatially distributed training. Despite both problems arising from the same underlying problem of data shifts, existing research addresses them only individually. In this work, we introduce a method that can jointly alleviate Client Drift and Catastrophic Forgetting by using our proposed Dynamic Barlow Continuity that evaluates client updates on a public reference dataset and uses this to guide the training process to a spatially and temporally shift-invariant model. We evaluate our approach on the histopathology datasets BCSS and Semicol and prove our method to be highly effective by jointly improving the dice score as much as from 15.8% to 71.6% in Client Drift and from 42.5% to 62.8% in Catastrophic Forgetting. This enables Dynamic Learning by establishing spatio-temporal shift-invariance.
Authors: Chandreyee Bhowmick, Xenofon Koutsoukos
Abstract: Collaborative learning in peer-to-peer networks offers the benefits of distributed learning while mitigating the risks associated with single points of failure inherent in centralized servers. However, adversarial workers pose potential threats by attempting to inject malicious information into the network. Thus, ensuring the resilience of peer-to-peer learning emerges as a pivotal research objective. The challenge is exacerbated in the presence of non-convex loss functions and non-iid data distributions. This paper introduces a resilient aggregation technique tailored for such scenarios, aimed at fostering similarity among peers' learning processes. The aggregation weights are determined through an optimization procedure, and use the loss function computed using the neighbor's models and individual private data, thereby addressing concerns regarding data privacy in distributed machine learning. Theoretical analysis demonstrates convergence of parameters with non-convex loss functions and non-iid data distributions. Empirical evaluations across three distinct machine learning tasks support the claims. The empirical findings, which encompass a range of diverse attack models, also demonstrate improved accuracy when compared to existing methodologies.
Authors: Yuhe Bai
Abstract: In recent years, knowledge graph embeddings have achieved great success. Many methods have been proposed and achieved state-of-the-art results in various tasks. However, most of the current methods present one or more of the following problems: (i) They only consider fact triplets, while ignoring the ontology information of knowledge graphs. (ii) The obtained embeddings do not contain much semantic information. Therefore, using these embeddings for semantic tasks is problematic. (iii) They do not enable large-scale training. In this paper, we propose a new algorithm that incorporates the ontology of knowledge graphs and partitions the knowledge graph based on classes to include more semantic information for parallel training of large-scale knowledge graph embeddings. Our preliminary results show that our algorithm performs well on several popular benchmarks.
Authors: Kazusato Oko, Licong Lin, Yuhang Cai, Song Mei
Abstract: Multi-modal generative AI systems, such as those combining vision and language, rely on contrastive pre-training to learn representations across different modalities. While their practical benefits are widely acknowledged, a rigorous theoretical understanding of the contrastive pre-training framework remains limited. This paper develops a theoretical framework to explain the success of contrastive pre-training in downstream tasks, such as zero-shot classification, conditional diffusion models, and vision-language models. We introduce the concept of approximate sufficient statistics, a generalization of the classical sufficient statistics, and show that near-minimizers of the contrastive pre-training loss are approximately sufficient, making them adaptable to diverse downstream tasks. We further propose the Joint Generative Hierarchical Model for the joint distribution of images and text, showing that transformers can efficiently approximate relevant functions within this model via belief propagation. Building on this framework, we derive sample complexity guarantees for multi-modal learning based on contrastive pre-trained representations. Numerical simulations validate these theoretical findings, demonstrating the strong generalization performance of contrastively pre-trained transformers in various multi-modal tasks.
Authors: Matin Mortaheb, Mohammad A. Amir Khojastepour, Srimat T. Chakradhar, Sennur Ulukus
Abstract: Retrieval-augmented generation (RAG) enhances large language models (LLMs) by incorporating external knowledge to generate a response within a context with improved accuracy and reduced hallucinations. However, multi-modal RAG systems face unique challenges: (i) the retrieval process may select irrelevant entries to user query (e.g., images, documents), and (ii) vision-language models or multi-modal language models like GPT-4o may hallucinate when processing these entries to generate RAG output. In this paper, we aim to address the first challenge, i.e, improving the selection of relevant context from the knowledge-base in retrieval phase of the multi-modal RAG. Specifically, we leverage the relevancy score (RS) measure designed in our previous work for evaluating the RAG performance to select more relevant entries in retrieval process. The retrieval based on embeddings, say CLIP-based embedding, and cosine similarity usually perform poorly particularly for multi-modal data. We show that by using a more advanced relevancy measure, one can enhance the retrieval process by selecting more relevant pieces from the knowledge-base and eliminate the irrelevant pieces from the context by adaptively selecting up-to-$k$ entries instead of fixed number of entries. Our evaluation using COCO dataset demonstrates significant enhancement in selecting relevant context and accuracy of the generated response.
Authors: Lucas Prieto, Melih Barsbey, Pedro A. M. Mediano, Tolga Birdal
Abstract: Grokking, the sudden generalization that occurs after prolonged overfitting, is a surprising phenomenon challenging our understanding of deep learning. Although significant progress has been made in understanding grokking, the reasons behind the delayed generalization and its dependence on regularization remain unclear. In this work, we argue that without regularization, grokking tasks push models to the edge of numerical stability, introducing floating point errors in the Softmax function, which we refer to as Softmax Collapse (SC). We demonstrate that SC prevents grokking and that mitigating SC enables grokking without regularization. Investigating the root cause of SC, we find that beyond the point of overfitting, the gradients strongly align with what we call the na\"ive loss minimization (NLM) direction. This component of the gradient does not alter the model's predictions but decreases the loss by scaling the logits, typically by scaling the weights along their current direction. We show that this scaling of the logits explains the delay in generalization characteristic of grokking and eventually leads to SC, halting further learning. To validate our hypotheses, we introduce two key contributions that address the challenges in grokking tasks: StableMax, a new activation function that prevents SC and enables grokking without regularization, and $\perp$Grad, a training algorithm that promotes quick generalization in grokking tasks by preventing NLM altogether. These contributions provide new insights into grokking, elucidating its delayed generalization, reliance on regularization, and the effectiveness of existing grokking-inducing methods. Code for this paper is available at https://github.com/LucasPrietoAl/grokking-at-the-edge-of-numerical-stability.
URLs: https://github.com/LucasPrietoAl/grokking-at-the-edge-of-numerical-stability.
Authors: Mario Refoyo, David Luengo
Abstract: Deep Learning systems excel in complex tasks but often lack transparency, limiting their use in critical applications. Counterfactual explanations, a core tool within eXplainable Artificial Intelligence (XAI), offer insights into model decisions by identifying minimal changes to an input to alter its predicted outcome. However, existing methods for time series data are limited by univariate assumptions, rigid constraints on modifications, or lack of validity guarantees. This paper introduces Multi-SpaCE, a multi-objective counterfactual explanation method for multivariate time series. Using non-dominated ranking genetic algorithm II (NSGA-II), Multi-SpaCE balances proximity, sparsity, plausibility, and contiguity. Unlike most methods, it ensures perfect validity, supports multivariate data and provides a Pareto front of solutions, enabling flexibility to different end-user needs. Comprehensive experiments in diverse datasets demonstrate the ability of Multi-SpaCE to consistently achieve perfect validity and deliver superior performance compared to existing methods.
Authors: Desen Sun, Henry Tian, Tim Lu, Sihang Liu
Abstract: Text-to-Video applications receive increasing attention from the public. Among these, diffusion models have emerged as the most prominent approach, offering impressive quality in visual content generation. However, it still suffers from substantial computational complexity, often requiring several minutes to generate a single video. While prior research has addressed the computational overhead in text-to-image diffusion models, the techniques developed are not directly suitable for video diffusion models due to the significantly larger cache requirements and enhanced computational demands associated with video generation. We present FlexCache, a flexible approximate cache system that addresses the challenges in two main designs. First, we compress the caches before saving them to storage. Our compression strategy can reduce 6.7 times consumption on average. Then we find that the approximate cache system can achieve higher hit rate and computation savings by decoupling the object and background. We further design a tailored cache replacement policy to support the two techniques mentioned above better. Through our evaluation, FlexCache reaches 1.26 times higher throughput and 25% lower cost compared to the state-of-the-art diffusion approximate cache system.
Authors: Shruti Nath, Julie Carreau, Kai Kornhuber, Peter Pfleiderer, Carl-Friedrich Schleussner, Philippe Naveau
Abstract: High-impact climate damages are often driven by compounding climate conditions. For example, elevated heat stress conditions can arise from a combination of high humidity and temperature. To explore future changes in compounding hazards under a range of climate scenarios and with large ensembles, climate emulators can provide light-weight, data-driven complements to Earth System Models. Yet, only a few existing emulators can jointly emulate multiple climate variables. In this study, we present the Multi-resolution EmulatoR for CompoUnd climate Risk analYsis: MERCURY. MERCURY extends multi-resolution analysis to a spatio-temporal framework for versatile emulation of multiple variables. MERCURY leverages data-driven, image compression techniques to generate emulations in a memory-efficient manner. MERCURY consists of a regional component that represents the monthly, regional response of a given variable to yearly Global Mean Temperature (GMT) using a probabilistic regression based additive model, resolving regional cross-correlations. It then adapts a reverse lifting-scheme operator to jointly spatially disaggregate regional, monthly values to grid-cell level. We demonstrate MERCURY's capabilities on representing the humid-heat metric, Wet Bulb Globe Temperature, as derived from temperature and relative humidity emulations. The emulated WBGT spatial correlations correspond well to those of ESMs and the 95% and 97.5% quantiles of WBGT distributions are well captured, with an average of 5% deviation. MERCURY's setup allows for region-specific emulations from which one can efficiently "zoom" into the grid-cell level across multiple variables by means of the reverse lifting-scheme operator. This circumvents the traditional problem of having to emulate complete, global-fields of climate data and resulting storage requirements.
Authors: Ahmed Abdeljawad, Thomas Dittrich
Abstract: Operator learning is a recent development in the simulation of Partial Differential Equations (PDEs) by means of neural networks. The idea behind this approach is to learn the behavior of an operator, such that the resulting neural network is an (approximate) mapping in infinite-dimensional spaces that is capable of (approximately) simulating the solution operator governed by the PDE. In our work, we study some general approximation capabilities for linear differential operators by approximating the corresponding symbol in the Fourier domain. Analogous to the structure of the class of H\"ormander-Symbols, we consider the approximation with respect to a topology that is induced by a sequence of semi-norms. In that sense, we measure the approximation error in terms of a Fr\'echet metric, and our main result identifies sufficient conditions for achieving a predefined approximation error. Secondly, we then focus on a natural extension of our main theorem, in which we manage to reduce the assumptions on the sequence of semi-norms. Based on some existing approximation result for the exponential spectral Barron space, we then present a concrete example of symbols that can be approximated well, and we also show the analogy of this approximation to the design of digital filters in Signal Processing.
Authors: Andrea Matarazzo, Riccardo Torlone
Abstract: The rapid advancement of artificial intelligence, particularly with the development of Large Language Models (LLMs) built on the transformer architecture, has redefined the capabilities of natural language processing. These models now exhibit remarkable performance across various language-related tasks, such as text generation, question answering, translation, and summarization, often rivaling human-like comprehension. More intriguingly, LLMs have demonstrated emergent abilities extending beyond their core functions, showing proficiency in tasks like commonsense reasoning, code generation, and arithmetic. This survey paper explores the foundational components, scaling mechanisms, and architectural strategies that drive these capabilities. Emphasizing models like GPT and LLaMA, we analyze the impact of exponential data and computational growth on LLM performance, while also addressing the trade-offs associated with scaling. We also examine LLM applications across sectors, such as healthcare, finance, education, and law, highlighting their adaptability and potential to solve domain-specific challenges. Central to this work are the questions of how LLMs generalize across diverse tasks, exhibit planning, and reasoning abilities, and whether these emergent abilities can be systematically elicited or enhanced. In particular, we provide some insights into the CoT (Chain of Thought) and PoT (Plan of Thought) abilities within LLMs, focusing on how pre-training data influences their emergence. Additionally, we investigate LLM-modulo frameworks that integrate external systems, allowing LLMs to handle complex, dynamic tasks. By analyzing these factors, this paper aims to foster the ongoing discussion on the capabilities and limits of LLMs, promoting their responsible development and application in novel and increasingly complex environments.
Authors: Mario Bravo, Juan P. Flores-Mella, Crist\'obal Guzm\'an
Abstract: We study the mixing time of the projected Langevin algorithm (LA) and the privacy curve of noisy Stochastic Gradient Descent (SGD), beyond nonexpansive iterations. Specifically, we derive new mixing time bounds for the projected LA which are, in some important cases, dimension-free and poly-logarithmic on the accuracy, closely matching the existing results in the smooth convex case. Additionally, we establish new upper bounds for the privacy curve of the subsampled noisy SGD algorithm. These bounds show a crucial dependency on the regularity of gradients, and are useful for a wide range of convex losses beyond the smooth case. Our analysis relies on a suitable extension of the Privacy Amplification by Iteration (PABI) framework (Feldman et al., 2018; Altschuler and Talwar, 2022, 2023) to noisy iterations whose gradient map is not necessarily nonexpansive. This extension is achieved by designing an optimization problem which accounts for the best possible R\'enyi divergence bound obtained by an application of PABI, where the tractability of the problem is crucially related to the modulus of continuity of the associated gradient mapping. We show that, in several interesting cases -- including the nonsmooth convex, weakly smooth and (strongly) dissipative -- such optimization problem can be solved exactly and explicitly. This yields the tightest possible PABI-based bounds, where our results are either new or substantially sharper than those in previous works.
Authors: Navya Yarrabelly, Saloni Mittal, Ketan Todi, Kimihiro Hasegawa
Abstract: Cross-lingual information retrieval (CLIR) ~\cite{shi2021cross, asai2021one, jiang2020cross} for example, can find relevant text in any language such as English(high resource) or Telugu (low resource) even when the query is posed in a different, possibly low-resource, language. In this work, we aim to develop useful CLIR models for this constrained, yet important, setting where we do not require any kind of additional supervision or labelled data for retrieval task and hence can work effectively for low-resource languages. \par We propose a simple and effective re-ranking method for improving passage retrieval in open question answering. The re-ranker re-scores retrieved passages with a zero-shot multilingual question generation model, which is a pre-trained language model, to compute the probability of the input question in the target language conditioned on a retrieved passage, which can be possibly in a different language. We evaluate our method in a completely zero shot setting and doesn't require any training. Thus the main advantage of our method is that our approach can be used to re-rank results obtained by any sparse retrieval methods like BM-25. This eliminates the need for obtaining expensive labelled corpus required for the retrieval tasks and hence can be used for low resource languages.
Authors: Siddharth Joshi, Besmira Nushi, Vidhisha Balachandran, Varun Chandrasekaran, Vibhav Vineet, Neel Joshi, Baharan Mirzasoleiman
Abstract: Vision-language models (VLMs) are highly effective but often underperform on specialized tasks; for example, Llava-1.5 struggles with chart and diagram understanding due to scarce task-specific training data. Existing training data, sourced from general-purpose datasets, fails to capture the nuanced details needed for these tasks. We introduce MM-Gen, a scalable method that generates task-specific, high-quality synthetic text for candidate images by leveraging stronger models. MM-Gen employs a three-stage targeted process: partitioning data into subgroups, generating targeted text based on task descriptions, and filtering out redundant and outlier data. Fine-tuning VLMs with data generated by MM-Gen leads to significant performance gains, including 29% on spatial reasoning and 15% on diagram understanding for Llava-1.5 (7B). Compared to human-curated caption data, MM-Gen achieves up to 1.6x better improvements for the original models, proving its effectiveness in enhancing task-specific VLM performance and bridging the gap between general-purpose datasets and specialized requirements. Code available at https://github.com/sjoshi804/MM-Gen.
Authors: Sungjae Park, Seungho Lee, Mingi Choi, Jiye Lee, Jeonghwan Kim, Jisoo Kim, Hanbyul Joo
Abstract: We present a method for teaching dexterous manipulation tasks to robots from human hand motion demonstrations. Unlike existing approaches that solely rely on kinematics information without taking into account the plausibility of robot and object interaction, our method directly infers plausible robot manipulation actions from human motion demonstrations. To address the embodiment gap between the human hand and the robot system, our approach learns a joint motion manifold that maps human hand movements, robot hand actions, and object movements in 3D, enabling us to infer one motion component from others. Our key idea is the generation of pseudo-supervision triplets, which pair human, object, and robot motion trajectories synthetically. Through real-world experiments with robot hand manipulation, we demonstrate that our data-driven retargeting method significantly outperforms conventional retargeting techniques, effectively bridging the embodiment gap between human and robotic hands. Website at https://rureadyo.github.io/MocapRobot/.
Authors: Ananth Raman, Vinod Raman
Abstract: We continue to study the learning-theoretic foundations of generation by extending the results from Kleinberg and Mullainathan [2024] and Li et al. [2024] to account for noisy example streams. In the noiseless setting of Kleinberg and Mullainathan [2024] and Li et al. [2024], an adversary picks a hypothesis from a binary hypothesis class and provides a generator with a sequence of its positive examples. The goal of the generator is to eventually output new, unseen positive examples. In the noisy setting, an adversary still picks a hypothesis and a sequence of its positive examples. But, before presenting the stream to the generator, the adversary inserts a finite number of negative examples. Unaware of which examples are noisy, the goal of the generator is to still eventually output new, unseen positive examples. In this paper, we provide necessary and sufficient conditions for when a binary hypothesis class can be noisily generatable. We provide such conditions with respect to various constraints on the number of distinct examples that need to be seen before perfect generation of positive examples. Interestingly, for finite and countable classes we show that generatability is largely unaffected by the presence of a finite number of noisy examples.
Authors: Parv Kapoor, Kazuki Mizuta, Eunsuk Kang, Karen Leung
Abstract: Signal Temporal Logic (STL) offers a concise yet expressive framework for specifying and reasoning about spatio-temporal behaviors of robotic systems. Attractively, STL admits the notion of robustness, the degree to which an input signal satisfies or violates an STL specification, thus providing a nuanced evaluation of system performance. Notably, the differentiability of STL robustness enables direct integration to robotics workflows that rely on gradient-based optimization, such as trajectory optimization and deep learning. However, existing approaches to evaluating and differentiating STL robustness rely on recurrent computations, which become inefficient with longer sequences, limiting their use in time-sensitive applications. In this paper, we present STLCG++, a masking-based approach that parallelizes STL robustness evaluation and backpropagation across timesteps, achieving more than 1000x faster computation time than the recurrent approach. We also introduce a smoothing technique for differentiability through time interval bounds, expanding STL's applicability in gradient-based optimization tasks over spatial and temporal variables. Finally, we demonstrate STLCG++'s benefits through three robotics use cases and provide open-source Python libraries in JAX and PyTorch for seamless integration into modern robotics workflows.
Authors: Jimi Togni, Romis Attux
Abstract: This study presents a comparative analysis of methods for detecting COVID-19 infection in radiographic images. The images, sourced from publicly available datasets, were categorized into three classes: 'normal,' 'pneumonia,' and 'COVID.' For the experiments, transfer learning was employed using eight pre-trained networks: SqueezeNet, DenseNet, ResNet, AlexNet, VGG, GoogleNet, ShuffleNet, and MobileNet. DenseNet achieved the highest accuracy of 97.64% using the ADAM optimization function in the multiclass approach. In the binary classification approach, the highest precision was 99.98%, obtained by the VGG, ResNet, and MobileNet networks. A comparative evaluation was also conducted using heat maps.
Authors: Longzhen Li, Guang Li, Ren Togo, Keisuke Maeda, Takahiro Ogawa, Miki Haseyama
Abstract: Dataset distillation is an effective technique for reducing the cost and complexity of model training while maintaining performance by compressing large datasets into smaller, more efficient versions. In this paper, we present a novel generative dataset distillation method that can improve the accuracy of aligning prediction logits. Our approach integrates self-knowledge distillation to achieve more precise distribution matching between the synthetic and original data, thereby capturing the overall structure and relationships within the data. To further improve the accuracy of alignment, we introduce a standardization step on the logits before performing distribution matching, ensuring consistency in the range of logits. Through extensive experiments, we demonstrate that our method outperforms existing state-of-the-art methods, resulting in superior distillation performance.
Authors: Abhishek Balasubramaniam, Febin P Sunny, Sudeep Pasricha
Abstract: To enhance perception in autonomous vehicles (AVs), recent efforts are concentrating on 3D object detectors, which deliver more comprehensive predictions than traditional 2D object detectors, at the cost of increased memory footprint and computational resource usage. We present a novel framework called UPAQ, which leverages semi-structured pattern pruning and quantization to improve the efficiency of LiDAR point-cloud and camera-based 3D object detectors on resource-constrained embedded AV platforms. Experimental results on the Jetson Orin Nano embedded platform indicate that UPAQ achieves up to 5.62x and 5.13x model compression rates, up to 1.97x and 1.86x boost in inference speed, and up to 2.07x and 1.87x reduction in energy consumption compared to state-of-the-art model compression frameworks, on the Pointpillar and SMOKE models respectively.
Authors: Samuel Schmidgall, Yusheng Su, Ze Wang, Ximeng Sun, Jialian Wu, Xiaodong Yu, Jiang Liu, Zicheng Liu, Emad Barsoum
Abstract: Historically, scientific discovery has been a lengthy and costly process, demanding substantial time and resources from initial conception to final results. To accelerate scientific discovery, reduce research costs, and improve research quality, we introduce Agent Laboratory, an autonomous LLM-based framework capable of completing the entire research process. This framework accepts a human-provided research idea and progresses through three stages--literature review, experimentation, and report writing to produce comprehensive research outputs, including a code repository and a research report, while enabling users to provide feedback and guidance at each stage. We deploy Agent Laboratory with various state-of-the-art LLMs and invite multiple researchers to assess its quality by participating in a survey, providing human feedback to guide the research process, and then evaluate the final paper. We found that: (1) Agent Laboratory driven by o1-preview generates the best research outcomes; (2) The generated machine learning code is able to achieve state-of-the-art performance compared to existing methods; (3) Human involvement, providing feedback at each stage, significantly improves the overall quality of research; (4) Agent Laboratory significantly reduces research expenses, achieving an 84% decrease compared to previous autonomous research methods. We hope Agent Laboratory enables researchers to allocate more effort toward creative ideation rather than low-level coding and writing, ultimately accelerating scientific discovery.
Authors: Yu Ishihara, Noriaki Takasugi, Kotaro Kawakami, Masaya Kinoshita, Kazumi Aoyama
Abstract: Reinforcement learning has become an essential algorithm for generating complex robotic behaviors. However, to learn such behaviors, it is necessary to design a reward function that describes the task, which often consists of multiple objectives that needs to be balanced. This tuning process is known as reward engineering and typically involves extensive trial-and-error. In this paper, to avoid this trial-and-error process, we propose the concept of Constraints as Rewards (CaR). CaR formulates the task objective using multiple constraint functions instead of a reward function and solves a reinforcement learning problem with constraints using the Lagrangian-method. By adopting this approach, different objectives are automatically balanced, because Lagrange multipliers serves as the weights among the objectives. In addition, we will demonstrate that constraints, expressed as inequalities, provide an intuitive interpretation of the optimization target designed for the task. We apply the proposed method to the standing-up motion generation task of a six-wheeled-telescopic-legged robot and demonstrate that the proposed method successfully acquires the target behavior, even though it is challenging to learn with manually designed reward functions.
Authors: Rachel Longjohn, Giri Gopalan, Emily Casleton
Abstract: Modern artificial intelligence is supported by machine learning models (e.g., foundation models) that are pretrained on a massive data corpus and then adapted to solve a variety of downstream tasks. To summarize performance across multiple tasks, evaluation metrics are often aggregated into a summary metric, e.g., average accuracy across 10 question-answering tasks. When aggregating evaluation metrics, it is useful to incorporate uncertainty in the aggregate metric in order to gain a more realistic understanding of model performance. Our objective in this work is to demonstrate how statistical methodology can be used for quantifying uncertainty in metrics that have been aggregated across multiple tasks. The methods we emphasize are bootstrapping, Bayesian hierarchical (i.e., multilevel) modeling, and the visualization of task weightings that consider standard errors. These techniques reveal insights such as the dominance of a specific model for certain types of tasks despite an overall poor performance. We use a popular ML benchmark, the Visual Task Adaptation Benchmark (VTAB), to demonstrate the usefulness of our approaches.
Authors: Anbang Liu, Zhi-Long Chen, Jinyang Jiang, Xi Chen
Abstract: In this paper, we develop a unified machine learning (ML) approach to predict high-quality solutions for single-machine scheduling problems with a non-decreasing min-sum objective function with or without release times. Our ML approach is novel in three major aspects. First, our approach is developed for the entire class of the aforementioned problems. To achieve this, we exploit the fact that the entire class of the problems considered can be formulated as a time-indexed formulation in a unified manner. We develop a deep neural network (DNN) which uses the cost parameters in the time-indexed formulation as the inputs to effectively predict a continuous solution to this formulation, based on which a feasible discrete solution is easily constructed. The second novel aspect of our approach lies in how the DNN model is trained. In view of the NP-hard nature of the problems, labels (i.e., optimal solutions) are hard to generate for training. To overcome this difficulty, we generate and utilize a set of special instances, for which optimal solutions can be found with little computational effort, to train the ML model offline. The third novel idea we employ in our approach is that we develop an online single-instance learning approach to fine tune the parameters in the DNN for a given online instance, with the goal of generating an improved solution for the given instance. To this end, we develop a feasibility surrogate that approximates the objective value of a given instance as a continuous function of the outputs of the DNN, which then enables us to derive gradients and update the learnable parameters in the DNN. Numerical results show that our approach can efficiently generate high-quality solutions for a variety of single-machine scheduling min-sum problems with up to 1000 jobs.
Authors: Moein Monemi, Morteza Amini, S. Mahmoud Taheri, Mohammad Arashi
Abstract: We consider the problem of weight uncertainty proposed by [Blundell et al. (2015). Weight uncertainty in neural network. In International conference on machine learning, 1613-1622, PMLR.] in neural networks {(NNs)} specialized for regression tasks. {We further} investigate the effect of variance uncertainty in {their model}. We show that including the variance uncertainty can improve the prediction performance of the Bayesian {NN}. Variance uncertainty enhances the generalization of the model {by} considering the posterior distribution over the variance parameter. { We examine the generalization ability of the proposed model using a function approximation} example and {further illustrate it with} the riboflavin genetic data set. {We explore fully connected dense networks and dropout NNs with} Gaussian and spike-and-slab priors, respectively, for the network weights.
Authors: Yichao Zhong, Chong Zhang, Tairan He, Guanya Shi
Abstract: Real-world legged locomotion systems often need to reconcile agility and safety for different scenarios. Moreover, the underlying dynamics are often unknown and time-variant (e.g., payload, friction). In this paper, we introduce BAS (Bridging Adaptivity and Safety), which builds upon the pipeline of prior work Agile But Safe (ABS)(He et al.) and is designed to provide adaptive safety even in dynamic environments with uncertainties. BAS involves an agile policy to avoid obstacles rapidly and a recovery policy to prevent collisions, a physical parameter estimator that is concurrently trained with agile policy, and a learned control-theoretic RA (reach-avoid) value network that governs the policy switch. Also, the agile policy and RA network are both conditioned on physical parameters to make them adaptive. To mitigate the distribution shift issue, we further introduce an on-policy fine-tuning phase for the estimator to enhance its robustness and accuracy. The simulation results show that BAS achieves 50% better safety than baselines in dynamic environments while maintaining a higher speed on average. In real-world experiments, BAS shows its capability in complex environments with unknown physics (e.g., slippery floors with unknown frictions, unknown payloads up to 8kg), while baselines lack adaptivity, leading to collisions or. degraded agility. As a result, BAS achieves a 19.8% increase in speed and gets a 2.36 times lower collision rate than ABS in the real world. Videos: https://adaptive-safe-locomotion.github.io.
Authors: Mirmojtaba Gharibi, John-Paul Clarke
Abstract: We provide a general and malleable heuristic for the air conflict resolution problem. This heuristic is based on a new neighborhood structure for searching the solution space of trajectories and flight-levels. Using unsupervised learning, the core idea of our heuristic is to cluster the conflict points and disperse them in various flight levels. Our first algorithm is called Cluster & Disperse and in each iteration it assigns the most problematic flights in each cluster to another flight-level. In effect, we shuffle them between the flight-levels until we achieve a well-balanced configuration. The Cluster & Disperse algorithm then uses any horizontal plane conflict resolution algorithm as a subroutine to solve these well-balanced instances. Nevertheless, we develop a novel algorithm for the horizontal plane based on a similar idea. That is we cluster and disperse the conflict points spatially in the same flight level using the gradient descent and a social force. We use a novel maneuver making flights travel on an arc instead of a straight path which is based on the aviation routine of the Radius to Fix legs. Our algorithms can handle a high density of flights within a reasonable computation time. We put their performance in context with some notable algorithms from the literature. Being a general framework, a particular strength of the Cluster & Disperse is its malleability in allowing various constraints regarding the aircraft or the environment to be integrated with ease. This is in contrast to the models for instance based on mixed integer programming.
Authors: Hyungjin Chung, Dohun Lee, Zihui Wu, Byung-Hoon Kim, Katherine L. Bouman, Jong Chul Ye
Abstract: Compressed sensing MRI seeks to accelerate MRI acquisition processes by sampling fewer k-space measurements and then reconstructing the missing data algorithmically. The success of these approaches often relies on strong priors or learned statistical models. While recent diffusion model-based priors have shown great potential, previous methods typically ignore clinically available metadata (e.g. patient demographics, imaging parameters, slice-specific information). In practice, metadata contains meaningful cues about the anatomy and acquisition protocol, suggesting it could further constrain the reconstruction problem. In this work, we propose ContextMRI, a text-conditioned diffusion model for MRI that integrates granular metadata into the reconstruction process. We train a pixel-space diffusion model directly on minimally processed, complex-valued MRI images. During inference, metadata is converted into a structured text prompt and fed to the model via CLIP text embeddings. By conditioning the prior on metadata, we unlock more accurate reconstructions and show consistent gains across multiple datasets, acceleration factors, and undersampling patterns. Our experiments demonstrate that increasing the fidelity of metadata, ranging from slice location and contrast to patient age, sex, and pathology, systematically boosts reconstruction performance. This work highlights the untapped potential of leveraging clinical context for inverse problems and opens a new direction for metadata-driven MRI reconstruction.
Authors: Zijiang Yang, Meishu Song, Xin Jing, Haojie Zhang, Kun Qian, Bin Hu, Kota Tamada, Toru Takumi, Bj\"orn W. Schuller, Yoshiharu Yamamoto
Abstract: The Mice Autism Detection via Ultrasound Vocalization (MAD-UV) Challenge introduces the first INTERSPEECH challenge focused on detecting autism spectrum disorder (ASD) in mice through their vocalizations. Participants are tasked with developing models to automatically classify mice as either wild-type or ASD models based on recordings with a high sampling rate. Our baseline system employs a simple CNN-based classification using three different spectrogram features. Results demonstrate the feasibility of automated ASD detection, with the considered audible-range features achieving the best performance (UAR of 0.600 for segment-level and 0.625 for subject-level classification). This challenge bridges speech technology and biomedical research, offering opportunities to advance our understanding of ASD models through machine learning approaches. The findings suggest promising directions for vocalization analysis and highlight the potential value of audible and ultrasound vocalizations in ASD detection.
Authors: Yekun Ke, Xiaoyu Li, Yingyu Liang, Zhenmei Shi, Zhao Song
Abstract: Understanding the expressive ability of a specific model is essential for grasping its capacity limitations. Recently, several studies have established circuit complexity bounds for Transformer architecture. Besides, the Visual AutoRegressive (VAR) model has risen to be a prominent method in the field of image generation, outperforming previous techniques, such as Diffusion Transformers, in generating high-quality images. We investigate the circuit complexity of the VAR model and establish a bound in this study. Our primary result demonstrates that the VAR model is equivalent to a simulation by a uniform $\mathsf{TC}^0$ threshold circuit with hidden dimension $d \leq O(n)$ and $\mathrm{poly}(n)$ precision. This is the first study to rigorously highlight the limitations in the expressive power of VAR models despite their impressive performance. We believe our findings will offer valuable insights into the inherent constraints of these models and guide the development of more efficient and expressive architectures in the future.
Authors: Hyogon Ryu, NaHyeon Park, Hyunjung Shim
Abstract: Despite the widespread use of text-to-image diffusion models across various tasks, their computational and memory demands limit practical applications. To mitigate this issue, quantization of diffusion models has been explored. It reduces memory usage and computational costs by compressing weights and activations into lower-bit formats. However, existing methods often struggle to preserve both image quality and text-image alignment, particularly in lower-bit($<$ 8bits) quantization. In this paper, we analyze the challenges associated with quantizing text-to-image diffusion models from a distributional perspective. Our analysis reveals that activation outliers play a crucial role in determining image quality. Additionally, we identify distinctive patterns in cross-attention scores, which significantly affects text-image alignment. To address these challenges, we propose Distribution-aware Group Quantization (DGQ), a method that identifies and adaptively handles pixel-wise and channel-wise outliers to preserve image quality. Furthermore, DGQ applies prompt-specific logarithmic quantization scales to maintain text-image alignment. Our method demonstrates remarkable performance on datasets such as MS-COCO and PartiPrompts. We are the first to successfully achieve low-bit quantization of text-to-image diffusion models without requiring additional fine-tuning of weight quantization parameters.
Authors: Liwen Zhang, Zhaoji Miao, Fan Yang, Gen Shi, Jie He, Yu An, Hui Hui, Jie Tian
Abstract: A core challenge for signal data recovery is to model the distribution of signal matrix (SM) data based on measured low-quality data in biomedical engineering of magnetic particle imaging (MPI). For acquiring the high-resolution (high-quality) SM, the number of meticulous measurements at numerous positions in the field-of-view proves time-consuming (measurement of a 37x37x37 SM takes about 32 hours). To improve reconstructed signal quality and shorten SM measurement time, existing methods explore to generating high-resolution SM based on time-saving measured low-resolution SM (a 9x9x9 SM just takes about 0.5 hours). However, previous methods show poor performance for high-frequency signal recovery in SM. To achieve a high-resolution SM recovery and shorten its acquisition time, we propose a frequency-domain structure consistency loss function and data component embedding strategy to model global and local structural information of SM. We adopt a transformer-based network to evaluate this function and the strategy. We evaluate our methods and state-of-the-art (SOTA) methods on the two simulation datasets and four public measured SMs in Open MPI Data. The results show that our method outperforms the SOTA methods in high-frequency structural signal recovery. Additionally, our method can recover a high-resolution SM with clear high-frequency structure based on a down-sampling factor of 16 less than 15 seconds, which accelerates the acquisition time over 60 times faster than the measurement-based HR SM with the minimum error (nRMSE=0.041). Moreover, our method is applied in our three in-house MPI systems, and boost their performance for signal reconstruction.
Authors: Ahmed Ayoub Bellachia, Mouhamed Amine Bouchiha, Yacine Ghamri-Doudane, Mourad Rabah
Abstract: Blockchain-based Federated Learning (FL) is an emerging decentralized machine learning paradigm that enables model training without relying on a central server. Although some BFL frameworks are considered privacy-preserving, they are still vulnerable to various attacks, including inference and model poisoning. Additionally, most of these solutions employ strong trust assumptions among all participating entities or introduce incentive mechanisms to encourage collaboration, making them susceptible to multiple security flaws. This work presents VerifBFL, a trustless, privacy-preserving, and verifiable federated learning framework that integrates blockchain technology and cryptographic protocols. By employing zero-knowledge Succinct Non-Interactive Argument of Knowledge (zk-SNARKs) and incrementally verifiable computation (IVC), VerifBFL ensures the verifiability of both local training and aggregation processes. The proofs of training and aggregation are verified on-chain, guaranteeing the integrity and auditability of each participant's contributions. To protect training data from inference attacks, VerifBFL leverages differential privacy. Finally, to demonstrate the efficiency of the proposed protocols, we built a proof of concept using emerging tools. The results show that generating proofs for local training and aggregation in VerifBFL takes less than 81s and 2s, respectively, while verifying them on-chain takes less than 0.6s.
Authors: Meryem Malak Dif, Mouhamed Amine Bouchiha, Mourad Rabah, Yacine Ghamri-Doudane
Abstract: Blockchained federated learning (BFL) combines the concepts of federated learning and blockchain technology to enhance privacy, security, and transparency in collaborative machine learning models. However, implementing BFL frameworks poses challenges in terms of scalability and cost-effectiveness. Reputation-aware BFL poses even more challenges, as blockchain validators are tasked with processing federated learning transactions along with the transactions that evaluate FL tasks and aggregate reputations. This leads to faster blockchain congestion and performance degradation. To improve BFL efficiency while increasing scalability and reducing on-chain reputation management costs, this paper proposes AutoDFL, a scalable and automated reputation-aware decentralized federated learning framework. AutoDFL leverages zk-Rollups as a Layer-2 scaling solution to boost the performance while maintaining the same level of security as the underlying Layer-1 blockchain. Moreover, AutoDFL introduces an automated and fair reputation model designed to incentivize federated learning actors. We develop a proof of concept for our framework for an accurate evaluation. Tested with various custom workloads, AutoDFL reaches an average throughput of over 3000 TPS with a gas reduction of up to 20X.
Authors: Davor Horvatic, Domjan Baric
Abstract: We introduce an interpretable deep learning model for multivariate time series forecasting that prioritizes both predictive performance and interpretability - key requirements for understanding complex physical phenomena. Our model not only matches but often surpasses existing interpretability methods, achieving this without compromising accuracy. Through extensive experiments, we demonstrate its ability to identify the most relevant time series and lags that contribute to forecasting future values, providing intuitive and transparent explanations for its predictions. To minimize the need for manual supervision, the model is designed so one can robustly determine the optimal window size that captures all necessary interactions within the smallest possible time frame. Additionally, it effectively identifies the optimal model order, balancing complexity when incorporating higher-order terms. These advancements hold significant implications for modeling and understanding dynamic systems, making the model a valuable tool for applied and computational physicists.
Authors: Xueqiang Ouyang, Jia Wei, Wenjie Huo, Xiaocong Wang, Rui Li, Jianlong Zhou
Abstract: Temporal embryo images and parental fertility table indicators are both valuable for pregnancy prediction in \textbf{in vitro fertilization embryo transfer} (IVF-ET). However, current machine learning models cannot make full use of the complementary information between the two modalities to improve pregnancy prediction performance. In this paper, we propose a Decoupling Fusion Network called DeFusion to effectively integrate the multi-modal information for IVF-ET pregnancy prediction. Specifically, we propose a decoupling fusion module that decouples the information from the different modalities into related and unrelated information, thereby achieving a more delicate fusion. And we fuse temporal embryo images with a spatial-temporal position encoding, and extract fertility table indicator information with a table transformer. To evaluate the effectiveness of our model, we use a new dataset including 4046 cases collected from Southern Medical University. The experiments show that our model outperforms state-of-the-art methods. Meanwhile, the performance on the eye disease prediction dataset reflects the model's good generalization. Our code and dataset are available at https://github.com/Ou-Young-1999/DFNet.
Authors: Terrance Yu-Hao Chen, Yulin Chen, Pontus Soederhaell, Sadrishya Agrawal, Kateryna Shapovalenko
Abstract: Decoding speech from non-invasive brain signals, such as electroencephalography (EEG), has the potential to advance brain-computer interfaces (BCIs), with applications in silent communication and assistive technologies for individuals with speech impairments. However, EEG-based speech decoding faces major challenges, such as noisy data, limited datasets, and poor performance on complex tasks like speech perception. This study attempts to address these challenges by employing variational autoencoders (VAEs) for EEG data augmentation to improve data quality and applying a state-of-the-art (SOTA) sequence-to-sequence deep learning architecture, originally successful in electromyography (EMG) tasks, to EEG-based speech decoding. Additionally, we adapt this architecture for word classification tasks. Using the Brennan dataset, which contains EEG recordings of subjects listening to narrated speech, we preprocess the data and evaluate both classification and sequence-to-sequence models for EEG-to-words/sentences tasks. Our experiments show that VAEs have the potential to reconstruct artificial EEG data for augmentation. Meanwhile, our sequence-to-sequence model achieves more promising performance in generating sentences compared to our classification model, though both remain challenging tasks. These findings lay the groundwork for future research on EEG speech perception decoding, with possible extensions to speech production tasks such as silent or imagined speech.
Authors: Giovanni di Sarra, Barbara Bravi, Yasser Roudi
Abstract: Restricted Boltzmann Machines are simple yet powerful neural networks. They can be used for learning structure in data, and are used as a building block of more complex neural architectures. At the same time, their simplicity makes them easy to use, amenable to theoretical analysis, yielding interpretable models in applications. Here, we focus on reviewing the role that the activation functions, describing the input-output relationship of single neurons in RBM, play in the functionality of these models. We discuss recent theoretical results on the benefits and limitations of different activation functions. We also review applications to biological data analysis, namely neural data analysis, where RBM units are mostly taken to have sigmoid activation functions and binary units, to protein data analysis and immunology where non-binary units and non-sigmoid activation functions have recently been shown to yield important insights into the data. Finally, we discuss open problems addressing which can shed light on broader issues in neural network research.
Authors: Krisztian Balog, ChengXiang Zhai
Abstract: User simulation is an emerging interdisciplinary topic with multiple critical applications in the era of Generative AI. It involves creating an intelligent agent that mimics the actions of a human user interacting with an AI system, enabling researchers to model and analyze user behaviour, generate synthetic data for training, and evaluate interactive AI systems in a controlled and reproducible manner. User simulation has profound implications for diverse fields and plays a vital role in the pursuit of Artificial General Intelligence. This paper provides an overview of user simulation, highlighting its key applications, connections to various disciplines, and outlining future research directions to advance this increasingly important technology.
Authors: Nathan Khosla, Jake M. Lesinski, Marcus Haywood-Alexander, Andrew J. deMello, Daniel A. Richards
Abstract: CRISPR-based diagnostics have gained increasing attention as biosensing tools able to address limitations in contemporary molecular diagnostic tests. To maximise the performance of CRISPR-based assays, much effort has focused on optimizing the chemistry and biology of the biosensing reaction. However, less attention has been paid to improving the techniques used to analyse CRISPR-based diagnostic data. To date, diagnostic decisions typically involve various forms of slope-based classification. Such methods are superior to traditional methods based on assessing absolute signals, but still have limitations. Herein, we establish performance benchmarks (total accuracy, sensitivity, and specificity) using common slope-based methods. We compare the performance of these benchmark methods with three different quadratic empirical distribution function statistical tests, finding significant improvements in diagnostic speed and accuracy when applied to a clinical data set. Two of the three statistical techniques, the Kolmogorov-Smirnov and Anderson-Darling tests, report the lowest time-to-result and highest total test accuracy. Furthermore, we developed a long short-term memory recurrent neural network to classify CRISPR-biosensing data, achieving 100% specificity on our model data set. Finally, we provide guidelines on choosing the classification method and classification method parameters that best suit a diagnostic assays needs.
Authors: Ruichen Luo, Sebastian U Stich, Samuel Horv\'ath, Martin Tak\'a\v{c}
Abstract: LocalSGD and SCAFFOLD are widely used methods in distributed stochastic optimization, with numerous applications in machine learning, large-scale data processing, and federated learning. However, rigorously establishing their theoretical advantages over simpler methods, such as minibatch SGD (MbSGD), has proven challenging, as existing analyses often rely on strong assumptions, unrealistic premises, or overly restrictive scenarios. In this work, we revisit the convergence properties of LocalSGD and SCAFFOLD under a variety of existing or weaker conditions, including gradient similarity, Hessian similarity, weak convexity, and Lipschitz continuity of the Hessian. Our analysis shows that (i) LocalSGD achieves faster convergence compared to MbSGD for weakly convex functions without requiring stronger gradient similarity assumptions; (ii) LocalSGD benefits significantly from higher-order similarity and smoothness; and (iii) SCAFFOLD demonstrates faster convergence than MbSGD for a broader class of non-quadratic functions. These theoretical insights provide a clearer understanding of the conditions under which LocalSGD and SCAFFOLD outperform MbSGD.
Authors: Victor Nascimento Ribeiro, Nina S. T. Hirata
Abstract: Video-based vehicle detection and counting play a critical role in managing transport infrastructure. Traditional image-based counting methods usually involve two main steps: initial detection and subsequent tracking, which are applied to all video frames, leading to a significant increase in computational complexity. To address this issue, this work presents an alternative and more efficient method for vehicle detection and counting. The proposed approach eliminates the need for a tracking step and focuses solely on detecting vehicles in key video frames, thereby increasing its efficiency. To achieve this, we developed a system that combines YOLO, for vehicle detection, with Visual Rhythm, a way to create time-spatial images that allows us to focus on frames that contain useful information. Additionally, this method can be used for counting in any application involving unidirectional moving targets to be detected and identified. Experimental analysis using real videos shows that the proposed method achieves mean counting accuracy around 99.15% over a set of videos, with a processing speed three times faster than tracking based approaches.
Authors: Giorgio Giannone, Ruoteng Li, Qianli Feng, Evgeny Perevodchikov, Rui Chen, Aleix Martinez
Abstract: Vision-language models (VLMs) have demonstrated remarkable potential in integrating visual and linguistic information, but their performance is often constrained by the need for extensive, high-quality image-text training data. Curation of these image-text pairs is both time-consuming and computationally expensive. To address this challenge, we introduce SVP (Supervision-free Visual Projection), a novel framework that enhances vision-language alignment without relying on curated data or preference annotation. SVP leverages self-captioning and a pre-trained grounding model as a feedback mechanism to elicit latent information in VLMs. We evaluate our approach across six key areas: captioning, referring, visual question answering, multitasking, hallucination control, and object recall. Results demonstrate significant improvements, including a 14% average improvement in captioning tasks, up to 12% increase in object recall, and substantial reduction in hallucination rates. Notably, a small VLM using SVP achieves hallucination reductions comparable to a model five times larger, while a VLM with initially poor referring capabilities more than doubles its performance, approaching parity with a model twice its size.
Authors: Travis E. Gibson, Sawal Acharya
Abstract: Online learning and model reference adaptive control have many interesting intersections. One area where they differ however is in how the algorithms are analyzed and what objective or metric is used to discriminate "good" algorithms from "bad" algorithms. In adaptive control there are usually two objectives: 1) prove that all time varying parameters/states of the system are bounded, and 2) that the instantaneous error between the adaptively controlled system and a reference system converges to zero over time (or at least a compact set). For online learning the performance of algorithms is often characterized by the regret the algorithm incurs. Regret is defined as the cumulative loss (cost) over time from the online algorithm minus the cumulative loss (cost) of the single optimal fixed parameter choice in hindsight. Another significant difference between the two areas of research is with regard to the assumptions made in order to obtain said results. Adaptive control makes assumptions about the input-output properties of the control problem and derives solutions for a fixed error model or optimization task. In the online learning literature results are derived for classes of loss functions (i.e. convex) while a priori assuming that all time varying parameters are bounded, which for many optimization tasks is not unrealistic, but is a non starter in control applications. In this work we discuss these differences in detail through the regret based analysis of gradient descent for convex functions and the control based analysis of a streaming regression problem. We close with a discussion about the newly defined paradigm of online adaptive control and ask the following question "Are regret optimal control strategies deployable?"
Authors: Zephan M. Enciso, Boyang Cheng, Likai Pei, Jianbo Liu, Steven Davis, Ningyuan Cao, Michael Niemier
Abstract: Uncertainty estimation is an indispensable capability for AI-enabled, safety-critical applications, e.g. autonomous vehicles or medical diagnosis. Bayesian neural networks (BNNs) use Bayesian statistics to provide both classification predictions and uncertainty estimation, but they suffer from high computational overhead associated with random number generation and repeated sample iterations. Furthermore, BNNs are not immediately amenable to acceleration through compute-in-memory architectures due to the frequent memory writes necessary after each RNG operation. To address these challenges, we present an ASIC that integrates 360 fJ/Sample Gaussian RNG directly into the SRAM memory words. This integration reduces RNG overhead and enables fully-parallel compute-in-memory operations for BNNs. The prototype chip achieves 5.12 GSa/s RNG throughput and 102 GOp/s neural network throughput while occupying 0.45 mm2, bringing AI uncertainty estimation to edge computation.
Authors: Eric Chen, Xi Chen, Arian Maleki, Shirin Jalali
Abstract: Unrolled networks have become prevalent in various computer vision and imaging tasks. Although they have demonstrated remarkable efficacy in solving specific computer vision and computational imaging tasks, their adaptation to other applications presents considerable challenges. This is primarily due to the multitude of design decisions that practitioners working on new applications must navigate, each potentially affecting the network's overall performance. These decisions include selecting the optimization algorithm, defining the loss function, and determining the number of convolutional layers, among others. Compounding the issue, evaluating each design choice requires time-consuming simulations to train, fine-tune the neural network, and optimize for its performance. As a result, the process of exploring multiple options and identifying the optimal configuration becomes time-consuming and computationally demanding. The main objectives of this paper are (1) to unify some ideas and methodologies used in unrolled networks to reduce the number of design choices a user has to make, and (2) to report a comprehensive ablation study to discuss the impact of each of the choices involved in designing unrolled networks and present practical recommendations based on our findings. We anticipate that this study will help scientists and engineers design unrolled networks for their applications and diagnose problems within their networks efficiently.
Authors: Daniele Molino, Francesco Di Feola, Eliodoro Faiella, Deborah Fazzini, Domiziana Santucci, Linlin Shen, Valerio Guarrasi, Paolo Soda
Abstract: Artificial Intelligence is revolutionizing medical practice, enhancing diagnostic accuracy and healthcare delivery. However, its adaptation in medical settings still faces significant challenges, related to data availability and privacy constraints. Synthetic data has emerged as a promising solution to mitigate these issues, addressing data scarcity while preserving privacy. Recently, Latent Diffusion Models have emerged as a powerful tool for generating high-quality synthetic data. Meanwhile, the integration of different modalities has gained interest, emphasizing the need of models capable of handle multimodal medical data.Existing approaches struggle to integrate complementary information and lack the ability to generate modalities simultaneously. To address this challenge, we present MedCoDi-M, a 6.77-billion-parameter model, designed for multimodal medical data generation, that, following Foundation Model paradigm, exploits contrastive learning and large quantity of data to build a shared latent space which capture the relationships between different data modalities. Further, we introduce the Multi-Prompt training technique, which significantly boosts MedCoDi-M's generation under different settings. We extensively validate MedCoDi-M: first we benchmark it against five competitors on the MIMIC-CXR dataset, a state-of-the-art dataset for Chest X-ray and radiological report generation. Secondly, we perform a Visual Turing Test with expert radiologists to assess the realism and clinical relevance of the generated data, ensuring alignment with real-world scenarios. Finally, we assess the utility of MedCoDi-M in addressing key challenges in the medical field, such as anonymization, data scarcity and imbalance learning. The results are promising, demonstrating the applicability of MedCoDi-M in medical contexts. Project page is at https://cosbidev.github.io/MedCoDi-M/.
Authors: Patrice B\'echard, Orlando Marquez Ayala
Abstract: Retrieval-Augmented Generation (RAG) has become ubiquitous when deploying Large Language Models (LLMs), as it can address typical limitations such as generating hallucinated or outdated information. However, when building real-world RAG applications, practical issues arise. First, the retrieved information is generally domain-specific. Since it is computationally expensive to fine-tune LLMs, it is more feasible to fine-tune the retriever to improve the quality of the data included in the LLM input. Second, as more applications are deployed in the same real-world system, one cannot afford to deploy separate retrievers. Moreover, these RAG applications normally retrieve different kinds of data. Our solution is to instruction fine-tune a small retriever encoder on a variety of domain-specific tasks to allow us to deploy one encoder that can serve many use cases, thereby achieving low-cost, scalability, and speed. We show how this encoder generalizes to out-of-domain settings as well as to an unseen retrieval task on real-world enterprise use cases.
Authors: T\^am Le Minh, Julyan Arbel, Thomas M\"ollenhoff, Mohammad Emtiyaz Khan, Florence Forbes
Abstract: We introduce a new multimodal optimization approach called Natural Variational Annealing (NVA) that combines the strengths of three foundational concepts to simultaneously search for multiple global and local modes of black-box nonconvex objectives. First, it implements a simultaneous search by using variational posteriors, such as, mixtures of Gaussians. Second, it applies annealing to gradually trade off exploration for exploitation. Finally, it learns the variational search distribution using natural-gradient learning where updates resemble well-known and easy-to-implement algorithms. The three concepts come together in NVA giving rise to new algorithms and also allowing us to incorporate "fitness shaping", a core concept from evolutionary algorithms. We assess the quality of search on simulations and compare them to methods using gradient descent and evolution strategies. We also provide an application to a real-world inverse problem in planetary science.
Authors: Archita Srivastava, Abhas Kumar, Rajesh Kumar, Prabhakar Srinivasan
Abstract: Chart interpretation is crucial for visual data analysis, but accurately extracting information from charts poses significant challenges for automated models. This study investigates the fine-tuning of DEPLOT, a modality conversion module that translates the image of a plot or chart to a linearized table, on a custom dataset of 50,000 bar charts. The dataset comprises simple, stacked, and grouped bar charts, targeting the unique structural features of these visualizations. The finetuned DEPLOT model is evaluated against its base version using a test set of 1,000 images and two metrics: Relative Mapping Similarity (RMS), which measures categorical mapping accuracy, and Relative Number Set Similarity (RNSS), which evaluates numerical interpretation accuracy. To further explore the reasoning capabilities of large language models (LLMs), we curate an additional set of 100 bar chart images paired with question answer sets. Our findings demonstrate that providing a structured intermediate table alongside the image significantly enhances LLM reasoning performance compared to direct image queries.
Authors: Conrad Borchers
Abstract: Algorithmic bias is a pressing concern in educational data mining (EDM), as it risks amplifying inequities in learning outcomes. The Area Between ROC Curves (ABROCA) metric is frequently used to measure discrepancies in model performance across demographic groups to quantify overall model fairness. However, its skewed distribution--especially when class or group imbalances exist--makes significance testing challenging. This study investigates ABROCA's distributional properties and contributes robust methods for its significance testing. Specifically, we address (1) whether ABROCA follows any known distribution, (2) how to reliably test for algorithmic bias using ABROCA, and (3) the statistical power achievable with ABROCA-based bias assessments under typical EDM sample specifications. Simulation results confirm that ABROCA does not match standard distributions, including those suited to accommodate skewness. We propose nonparametric randomization tests for ABROCA and demonstrate that reliably detecting bias with ABROCA requires large sample sizes or substantial effect sizes, particularly in imbalanced settings. Findings suggest that ABROCA-based bias evaluation based on sample sizes common in EDM tends to be underpowered, undermining the reliability of conclusions about model fairness. By offering open-source code to simulate power and statistically test ABROCA, this paper aims to foster more reliable statistical testing in EDM research. It supports broader efforts toward replicability and equity in educational modeling.
Authors: Ruilin Luo, Zhuofan Zheng, Yifan Wang, Yiyao Yu, Xinzhe Ni, Zicheng Lin, Jin Zeng, Yujiu Yang
Abstract: Chain-of-thought (CoT) reasoning has been widely applied in the mathematical reasoning of Large Language Models (LLMs). Recently, the introduction of derivative process supervision on CoT trajectories has sparked discussions on enhancing scaling capabilities during test time, thereby boosting the potential of these models. However, in multimodal mathematical reasoning, the scarcity of high-quality CoT training data has hindered existing models from achieving high-precision CoT reasoning and has limited the realization of reasoning potential during test time. In this work, we propose a three-module synthesis strategy that integrates CoT distillation, trajectory-format rewriting, and format unification. It results in a high-quality CoT reasoning instruction fine-tuning dataset in multimodal mathematics, MMathCoT-1M. We comprehensively validate the state-of-the-art (SOTA) performance of the trained URSA-7B model on multiple multimodal mathematical benchmarks. For test-time scaling, we introduce a data synthesis strategy that automatically generates process annotation datasets, known as DualMath-1.1M, focusing on both interpretation and logic. By further training URSA-7B on DualMath-1.1M, we transition from CoT reasoning capabilities to robust supervision abilities. The trained URSA-RM-7B acts as a verifier, effectively enhancing the performance of URSA-7B at test time. URSA-RM-7B also demonstrates excellent out-of-distribution (OOD) verifying capabilities, showcasing its generalization. Model weights, training data and code will be open-sourced.
Authors: Md Nadim, Mohammad Hassan, Ashis Kumar Mandal, Chanchal K. Roy, Banani Roy, Kevin A. Schneider
Abstract: Purpose: Quantum computing promises to transform problem-solving across various domains with rapid and practical solutions. Within Software Evolution and Maintenance, Quantum Machine Learning (QML) remains mostly an underexplored domain, particularly in addressing challenges such as detecting buggy software commits from code repositories. Methods: In this study, we investigate the practical application of Quantum Support Vector Classifiers (QSVC) for detecting buggy software commits across 14 open-source software projects with diverse dataset sizes encompassing 30,924 data instances. We compare the QML algorithm PQSVC (Pegasos QSVC) and QSVC against the classical Support Vector Classifier (SVC). Our technique addresses large datasets in QSVC algorithms by dividing them into smaller subsets. We propose and evaluate an aggregation method to combine predictions from these models to detect the entire test dataset. We also introduce an incremental testing methodology to overcome the difficulties of quantum feature mapping during the testing approach. Results: The study shows the effectiveness of QSVC and PQSVC in detecting buggy software commits. The aggregation technique successfully combines predictions from smaller data subsets, enhancing the overall detection accuracy for the entire test dataset. The incremental testing methodology effectively manages the challenges associated with quantum feature mapping during the testing process. Conclusion: We contribute to the advancement of QML algorithms in defect prediction, unveiling the potential for further research in this domain. The specific scenario of the Short-Term Activity Frame (STAF) highlights the early detection of buggy software commits during the initial developmental phases of software systems, particularly when dataset sizes remain insufficient to train machine learning models.
Authors: Ziyuan Huang, Mark Newman, Maria Vaida, Srikar Bellur, Roozbeh Sadeghian, Andrew Siu, Hui Wang, Kevin Huggins
Abstract: This study examined the viability of enhancing the prediction accuracy of artificial neural networks (ANNs) in image classification tasks by developing ANNs with evolution patterns similar to those of biological neural networks. ResNet is a widely used family of neural networks with both deep and wide variants; therefore, it was selected as the base model for our investigation. The aim of this study is to improve the image classification performance of ANNs via a novel approach inspired by the biological nervous system architecture of planarians, which comprises a brain and two nerve cords. We believe that the unique neural architecture of planarians offers valuable insights into the performance enhancement of ANNs. The proposed planarian neural architecture-based neural network was evaluated on the CIFAR-10 and CIFAR-100 datasets. Our results indicate that the proposed method exhibits higher prediction accuracy than the baseline neural network models in image classification tasks. These findings demonstrate the significant potential of biologically inspired neural network architectures in improving the performance of ANNs in a wide range of applications.
Authors: Jinyung Hong, Theodore P. Pavlic
Abstract: Fruit flies are established model systems for studying olfactory learning as they will readily learn to associate odors with both electric shock or sugar rewards. The mechanisms of the insect brain apparently responsible for odor learning form a relatively shallow neuronal architecture. Olfactory inputs are received by the antennal lobe (AL) of the brain, which produces an encoding of each odor mixture across ~50 sub-units known as glomeruli. Each of these glomeruli then projects its component of this feature vector to several of ~2000 so-called Kenyon Cells (KCs) in a region of the brain known as the mushroom body (MB). Fly responses to odors are generated by small downstream neutrophils that decode the higher-order representation from the MB. Research has shown that there is no recognizable pattern in the glomeruli--KC connections (and thus the particular higher-order representations); they are akin to fingerprints--even isogenic flies have different projections. Leveraging insights from this architecture, we propose KCNet, a single-hidden-layer neural network that contains sparse, randomized, binary weights between the input layer and the hidden layer and analytically learned weights between the hidden layer and the output layer. Furthermore, we also propose a dynamic optimization algorithm that enables the KCNet to increase performance beyond its structural limits by searching for a more efficient set of inputs. For odorant-perception tasks that predict the perceptual properties of an odorant, we show that KCNet outperforms existing data-driven approaches, such as XGBoost. For image classification tasks, KCNet achieves reasonable performance on benchmark datasets (MNIST, Fashion-MNIST, and EMNIST) without any data-augmentation methods or convolutional layers and shows a particularly fast running time.
Authors: Pavithra Harsha, Ashish Jagmohan, Jayant Kalagnanam, Brian Quanz, Divya Singhvi
Abstract: We present a Reinforcement Learning (RL) based framework for optimizing long-term discounted reward problems with large combinatorial action space and state dependent constraints. These characteristics are common to many operations management problems, e.g., network inventory replenishment, where managers have to deal with uncertain demand, lost sales, and capacity constraints that results in more complex feasible action spaces. Our proposed Programmable Actor Reinforcement Learning (PARL) uses a deep-policy iteration method that leverages neural networks (NNs) to approximate the value function and combines it with mathematical programming (MP) and sample average approximation (SAA) to solve the per-step-action optimally while accounting for combinatorial action spaces and state-dependent constraint sets. We show how the proposed methodology can be applied to complex inventory replenishment problems where analytical solutions are intractable. We also benchmark the proposed algorithm against state-of-the-art RL algorithms and commonly used replenishment heuristics and find it considerably outperforms existing methods by as much as 14.7% on average in various complex supply chain settings. We find that this improvement of PARL over benchmark algorithms can be directly attributed to better inventory cost management, especially in inventory constrained settings. Furthermore, in the simpler setting where optimal replenishment policy is tractable or known near optimal heuristics exist, we find that the RL approaches can learn near optimal policies. Finally, to make RL algorithms more accessible for inventory management researchers, we also discuss the development of a modular Python library that can be used to test the performance of RL algorithms with various supply chain structures and spur future research in developing practical and near-optimal algorithms for inventory management problems.
Authors: Clinton Cao, Annibale Panichella, Sicco Verwer, Agathe Blaise, Filippo Rebecchi
Abstract: NetFlow data is a popular network log format used by many network analysts and researchers. The advantages of using NetFlow over deep packet inspection are that it is easier to collect and process, and it is less privacy intrusive. Many works have used machine learning to detect network attacks using NetFlow data. The first step for these machine learning pipelines is to pre-process the data before it is given to the machine learning algorithm. Many approaches exist to pre-process NetFlow data; however, these simply apply existing methods to the data, not considering the specific properties of network data. We argue that for data originating from software systems, such as NetFlow or software logs, similarities in frequency and contexts of feature values are more important than similarities in the value itself. In this work, we propose an encoding algorithm that directly takes the frequency and the context of the feature values into account when the data is being processed. Different types of network behaviours can be clustered using this encoding, thus aiding the process of detecting anomalies within the network. We train several machine learning models for anomaly detection using the data that has been encoded with our encoding algorithm. We evaluate the effectiveness of our encoding on a new dataset that we created for network attacks on Kubernetes clusters and two well-known public NetFlow datasets. We empirically demonstrate that the machine learning models benefit from using our encoding for anomaly detection.
Authors: Samuel Kessler, Adam Cobb, Tim G. J. Rudner, Stefan Zohren, Stephen J. Roberts
Abstract: Sequential Bayesian inference can be used for continual learning to prevent catastrophic forgetting of past tasks and provide an informative prior when learning new tasks. We revisit sequential Bayesian inference and test whether having access to the true posterior is guaranteed to prevent catastrophic forgetting in Bayesian neural networks. To do this we perform sequential Bayesian inference using Hamiltonian Monte Carlo. We propagate the posterior as a prior for new tasks by fitting a density estimator on Hamiltonian Monte Carlo samples. We find that this approach fails to prevent catastrophic forgetting demonstrating the difficulty in performing sequential Bayesian inference in neural networks. From there we study simple analytical examples of sequential Bayesian inference and CL and highlight the issue of model misspecification which can lead to sub-optimal continual learning performance despite exact inference. Furthermore, we discuss how task data imbalances can cause forgetting. From these limitations, we argue that we need probabilistic models of the continual learning generative process rather than relying on sequential Bayesian inference over Bayesian neural network weights. In this vein, we also propose a simple baseline called Prototypical Bayesian Continual Learning, which is competitive with state-of-the-art Bayesian continual learning methods on class incremental continual learning vision benchmarks.
Authors: Yang Yue, Bingyi Kang, Xiao Ma, Qisen Yang, Gao Huang, Shiji Song, Shuicheng Yan
Abstract: Offline reinforcement learning (RL) is challenged by the distributional shift problem. To address this problem, existing works mainly focus on designing sophisticated policy constraints between the learned policy and the behavior policy. However, these constraints are applied equally to well-performing and inferior actions through uniform sampling, which might negatively affect the learned policy. To alleviate this issue, we propose Offline Prioritized Experience Replay (OPER), featuring a class of priority functions designed to prioritize highly-rewarding transitions, making them more frequently visited during training. Through theoretical analysis, we show that this class of priority functions induce an improved behavior policy, and when constrained to this improved policy, a policy-constrained offline RL algorithm is likely to yield a better solution. We develop two practical strategies to obtain priority weights by estimating advantages based on a fitted value network (OPER-A) or utilizing trajectory returns (OPER-R) for quick computation. OPER is a plug-and-play component for offline RL algorithms. As case studies, we evaluate OPER on five different algorithms, including BC, TD3+BC, Onestep RL, CQL, and IQL. Extensive experiments demonstrate that both OPER-A and OPER-R significantly improve the performance for all baseline methods. Codes and priority weights are availiable at https://github.com/sail-sg/OPER.
Authors: Chloe Qinyu Zhu, Muhang Tian, Lesia Semenova, Jiachang Liu, Jack Xu, Joseph Scarpa, Cynthia Rudin
Abstract: Prediction of mortality in intensive care unit (ICU) patients typically relies on black box models (that are unacceptable for use in hospitals) or hand-tuned interpretable models (that might lead to the loss in performance). We aim to bridge the gap between these two categories by building on modern interpretable ML techniques to design interpretable mortality risk scores that are as accurate as black boxes. We developed a new algorithm, GroupFasterRisk, which has several important benefits: it uses both hard and soft direct sparsity regularization, it incorporates group sparsity to allow more cohesive models, it allows for monotonicity constraint to include domain knowledge, and it produces many equally-good models, which allows domain experts to choose among them. For evaluation, we leveraged the largest existing public ICU monitoring datasets (MIMIC III and eICU). Models produced by GroupFasterRisk outperformed OASIS and SAPS II scores and performed similarly to APACHE IV/IVa while using at most a third of the parameters. For patients with sepsis/septicemia, acute myocardial infarction, heart failure, and acute kidney failure, GroupFasterRisk models outperformed OASIS and SOFA. Finally, different mortality prediction ML approaches performed better based on variables selected by GroupFasterRisk as compared to OASIS variables. GroupFasterRisk's models performed better than risk scores currently used in hospitals, and on par with black box ML models, while being orders of magnitude sparser. Because GroupFasterRisk produces a variety of risk scores, it allows design flexibility - the key enabler of practical model creation. GroupFasterRisk is a fast, accessible, and flexible procedure that allows learning a diverse set of sparse risk scores for mortality prediction.
Authors: Serena Bono, Spandan Madan, Ishaan Grover, Mao Yasueda, Cynthia Breazeal, Hanspeter Pfister, Gabriel Kreiman
Abstract: Is it better to perform tennis training in a pristine indoor environment or a noisy outdoor one? To model this problem, here we investigate whether shifts in the transition probabilities between the training and testing environments in reinforcement learning problems can lead to better performance under certain conditions. We generate new Markov Decision Processes (MDPs) starting from a given MDP, by adding quantifiable, parametric noise into the transition function. We refer to this process as Noise Injection and the resulting environments as {\delta}-environments. This process allows us to create variations of the same environment with quantitative control over noise serving as a metric of distance between environments. Conventional wisdom suggests that training and testing on the same MDP should yield the best results. In stark contrast, we observe that agents can perform better when trained on the noise-free environment and tested on the noisy {\delta}-environments, compared to training and testing on the same {\delta}-environments. We confirm that this finding extends beyond noise variations: it is possible to showcase the same phenomenon in ATARI game variations including varying Ghost behaviour in PacMan, and Paddle behaviour in Pong. We demonstrate this intriguing behaviour across 60 different variations of ATARI games, including PacMan, Pong, and Breakout. We refer to this phenomenon as the Indoor-Training Effect. Code to reproduce our experiments and to implement Noise Injection can be found at https://bit.ly/3X6CTYk.
URLs: https://bit.ly/3X6CTYk.
Authors: Ruoqi Zhang, Ziwei Luo, Jens Sj\"olund, Thomas B. Sch\"on, Per Mattsson
Abstract: This paper presents advanced techniques of training diffusion policies for offline reinforcement learning (RL). At the core is a mean-reverting stochastic differential equation (SDE) that transfers a complex action distribution into a standard Gaussian and then samples actions conditioned on the environment state with a corresponding reverse-time SDE, like a typical diffusion policy. We show that such an SDE has a solution that we can use to calculate the log probability of the policy, yielding an entropy regularizer that improves the exploration of offline datasets. To mitigate the impact of inaccurate value functions from out-of-distribution data points, we further propose to learn the lower confidence bound of Q-ensembles for more robust policy improvement. By combining the entropy-regularized diffusion policy with Q-ensembles in offline RL, our method achieves state-of-the-art performance on most tasks in D4RL benchmarks. Code is available at https://github.com/ruoqizzz/Entropy-Regularized-Diffusion-Policy-with-QEnsemble.
URLs: https://github.com/ruoqizzz/Entropy-Regularized-Diffusion-Policy-with-QEnsemble.
Authors: Ziang Chen, Jialin Liu, Xiaohan Chen, Xinshang Wang, Wotao Yin
Abstract: Graph neural networks (GNNs) have been widely used to predict properties and heuristics of mixed-integer linear programs (MILPs) and hence accelerate MILP solvers. This paper investigates the capacity of GNNs to represent strong branching (SB), the most effective yet computationally expensive heuristic employed in the branch-and-bound algorithm. In the literature, message-passing GNN (MP-GNN), as the simplest GNN structure, is frequently used as a fast approximation of SB and we find that not all MILPs's SB can be represented with MP-GNN. We precisely define a class of "MP-tractable" MILPs for which MP-GNNs can accurately approximate SB scores. Particularly, we establish a universal approximation theorem: for any data distribution over the MP-tractable class, there always exists an MP-GNN that can approximate the SB score with arbitrarily high accuracy and arbitrarily high probability, which lays a theoretical foundation of the existing works on imitating SB with MP-GNN. For MILPs without the MP-tractability, unfortunately, a similar result is impossible, which can be illustrated by two MILP instances with different SB scores that cannot be distinguished by any MP-GNN, regardless of the number of parameters. Recognizing this, we explore another GNN structure called the second-order folklore GNN (2-FGNN) that overcomes this limitation, and the aforementioned universal approximation theorem can be extended to the entire MILP space using 2-FGNN, regardless of the MP-tractability. A small-scale numerical experiment is conducted to directly validate our theoretical findings.
Authors: Sean Jaffe, Alexander Davydov, Deniz Lapsekili, Ambuj Singh, Francesco Bullo
Abstract: Global stability and robustness guarantees in learned dynamical systems are essential to ensure well-behavedness of the systems in the face of uncertainty. We present Extended Linearized Contracting Dynamics (ELCD), the first neural network-based dynamical system with global contractivity guarantees in arbitrary metrics. The key feature of ELCD is a parametrization of the extended linearization of the nonlinear vector field. In its most basic form, ELCD is guaranteed to be (i) globally exponentially stable, (ii) equilibrium contracting, and (iii) globally contracting with respect to some metric. To allow for contraction with respect to more general metrics in the data space, we train diffeomorphisms between the data space and a latent space and enforce contractivity in the latent space, which ensures global contractivity in the data space. We demonstrate the performance of ELCD on the high dimensional LASA, multi-link pendulum, and Rosenbrock datasets.
Authors: Zijie Li, Saurabh Patil, Francis Ogoke, Dule Shu, Wilson Zhen, Michael Schneier, John R. Buchanan, Jr., Amir Barati Farimani
Abstract: Neural networks have shown promising potential in accelerating the numerical simulation of systems governed by partial differential equations (PDEs). Different from many existing neural network surrogates operating on high-dimensional discretized fields, we propose to learn the dynamics of the system in the latent space with much coarser discretizations. In our proposed framework - Latent Neural PDE Solver (LNS), a non-linear autoencoder is first trained to project the full-order representation of the system onto the mesh-reduced space, then a temporal model is trained to predict the future state in this mesh-reduced space. This reduction process simplifies the training of the temporal model by greatly reducing the computational cost accompanying a fine discretization. We study the capability of the proposed framework and several other popular neural PDE solvers on various types of systems including single-phase and multi-phase flows along with varying system parameters. We showcase that it has competitive accuracy and efficiency compared to the neural PDE solver that operates on full-order space.
Authors: Yunchuan Zhang, Sangwoo Park, Osvaldo Simeone
Abstract: In many applications, ranging from logistics to engineering, a designer is faced with a sequence of optimization tasks for which the objectives are in the form of black-box functions that are costly to evaluate. Furthermore, higher-fidelity evaluations of the optimization objectives often entail a larger cost. Existing multi-fidelity black-box optimization strategies select candidate solutions and fidelity levels with the goal of maximizing the information about the optimal value or the optimal solution for the current task. Assuming that successive optimization tasks are related, this paper introduces a novel information-theoretic acquisition function that balances the need to acquire information about the current task with the goal of collecting information transferable to future tasks. The proposed method transfers across tasks distributions over parameters of a Gaussian process surrogate model by implementing particle-based variational Bayesian updates. Theoretical insights based on the analysis of the expected regret substantiate the benefits of acquiring transferable knowledge across tasks. Furthermore, experimental results across synthetic and real-world examples reveal that the proposed acquisition strategy that caters to future tasks can significantly improve the optimization efficiency as soon as a sufficient number of tasks is processed.
Authors: Indranil Nayak, Ananda Chakrabarty, Mrinal Kumar, Fernando Teixeira, Debdipta Goswami
Abstract: Absence of sufficiently high-quality data often poses a key challenge in data-driven modeling of high-dimensional spatio-temporal dynamical systems. Koopman Autoencoders (KAEs) harness the expressivity of deep neural networks (DNNs), the dimension reduction capabilities of autoencoders, and the spectral properties of the Koopman operator to learn a reduced-order feature space with simpler, linear dynamics. However, the effectiveness of KAEs is hindered by limited and noisy training datasets, leading to poor generalizability. To address this, we introduce the Temporally-Consistent Koopman Autoencoder (tcKAE), designed to generate accurate long-term predictions even with limited and noisy training data. This is achieved through a consistency regularization term that enforces prediction coherence across different time steps, thus enhancing the robustness and generalizability of tcKAE over existing models. We provide analytical justification for this approach based on Koopman spectral theory and empirically demonstrate tcKAE's superior performance over state-of-the-art KAE models across a variety of test cases, including simple pendulum oscillations, kinetic plasma, and fluid flow data.
Authors: Stanley H. Chan
Abstract: The astonishing growth of generative tools in recent years has empowered many exciting applications in text-to-image generation and text-to-video generation. The underlying principle behind these generative tools is the concept of diffusion, a particular sampling mechanism that has overcome some shortcomings that were deemed difficult in the previous approaches. The goal of this tutorial is to discuss the essential ideas underlying the diffusion models. The target audience of this tutorial includes undergraduate and graduate students who are interested in doing research on diffusion models or applying these models to solve other problems.
Authors: Jiawu Tian, Liwei Xu, Xiaowei Zhang, Yongqi Li
Abstract: Training deep neural networks is a challenging task. In order to speed up training and enhance the performance of deep neural networks, we rectify the vanilla conjugate gradient as conjugate-gradient-like and incorporate it into the generic Adam, and thus propose a new optimization algorithm named CG-like-Adam for deep learning. Specifically, both the first-order and the second-order moment estimation of generic Adam are replaced by the conjugate-gradient-like. Convergence analysis handles the cases where the exponential moving average coefficient of the first-order moment estimation is constant and the first-order moment estimation is unbiased. Numerical experiments show the superiority of the proposed algorithm based on the CIFAR10/100 dataset.
Authors: Claus Hofmann, Simon Schmid, Bernhard Lehner, Daniel Klotz, Sepp Hochreiter
Abstract: Out-of-distribution (OOD) detection is critical when deploying machine learning models in the real world. Outlier exposure methods, which incorporate auxiliary outlier data in the training process, can drastically improve OOD detection performance compared to approaches without advanced training strategies. We introduce Hopfield Boosting, a boosting approach, which leverages modern Hopfield energy (MHE) to sharpen the decision boundary between the in-distribution and OOD data. Hopfield Boosting encourages the model to concentrate on hard-to-distinguish auxiliary outlier examples that lie close to the decision boundary between in-distribution and auxiliary outlier data. Our method achieves a new state-of-the-art in OOD detection with outlier exposure, improving the FPR95 metric from 2.28 to 0.92 on CIFAR-10 and from 11.76 to 7.94 on CIFAR-100.
Authors: Thomas D. P. Edwards, James Alvey, Justin Alsing, Nam H. Nguyen, Benjamin D. Wandelt
Abstract: Scaling laws for large language models (LLMs) have provided useful guidance in training ever larger models for predictable performance gains. Time series forecasting shares a similar sequential structure to language, and is amenable to large-scale transformer architectures. Here we show that foundational decoder-only time series transformer models exhibit analogous scaling-behavior to LLMs, with architectural details (aspect ratio and number of heads) having a minimal effect over broad ranges. We assemble a large corpus of heterogenous time series data on which to train, and establish for the first time power-law scaling with parameter count, dataset size, and training compute, spanning five orders of magnitude.
Authors: Hanlin Gu, Win Kent Ong, Chee Seng Chan, Lixin Fan
Abstract: The advent of Federated Learning (FL) highlights the practical necessity for the right to be forgotten for all clients, allowing them to request data deletion from the machine learning models service provider. This necessity has spurred a growing demand for Federated Unlearning (FU). Feature unlearning has gained considerable attention due to its applications in unlearning sensitive, backdoor, and biased features. Existing methods employ the influence function to achieve feature unlearning, which is impractical for FL as it necessitates the participation of other clients, if not all, in the unlearning process. Furthermore, current research lacks an evaluation of the effectiveness of feature unlearning. To address these limitations, we define feature sensitivity in evaluating feature unlearning according to Lipschitz continuity. This metric characterizes the model outputs rate of change or sensitivity to perturbations in the input feature. We then propose an effective federated feature unlearning framework called Ferrari, which minimizes feature sensitivity. Extensive experimental results and theoretical analysis demonstrate the effectiveness of Ferrari across various feature unlearning scenarios, including sensitive, backdoor, and biased features. The code is publicly available at https://github.com/OngWinKent/Federated-Feature-Unlearning
URLs: https://github.com/OngWinKent/Federated-Feature-Unlearning
Authors: Jiajie Li, Bo Gu, Shimin Gong, Zhou Su, Mohsen Guizani
Abstract: Mobile crowdsensing (MCS) has emerged as a prominent trend across various domains. However, ensuring the quality of the sensing data submitted by mobile users (MUs) remains a complex and challenging problem. To address this challenge, an advanced method is needed to detect low-quality sensing data and identify malicious MUs that may disrupt the normal operations of an MCS system. Therefore, this article proposes a prediction- and reputation-based truth discovery (PRBTD) framework, which can separate low-quality data from high-quality data in sensing tasks. First, we apply a correlation-focused spatio-temporal Transformer network that learns from the historical sensing data and predicts the ground truth of the data submitted by MUs. However, due to the noise in historical data for training and the bursty values within sensing data, the prediction results can be inaccurate. To address this issue, we use the implications among the sensing data, which are learned from the prediction results but are stable and less affected by inaccurate predictions, to evaluate the quality of the data. Finally, we design a reputation-based truth discovery (TD) module for identifying low-quality data with their implications. Given the sensing data submitted by MUs, PRBTD can eliminate the data with heavy noise and identify malicious MUs with high accuracy. Extensive experimental results demonstrate that the PRBTD method outperforms existing methods in terms of identification accuracy and data quality enhancement.
Authors: Yuxuan Zhou, Mario Fritz, Margret Keuper
Abstract: SoftMax is a ubiquitous ingredient of modern machine learning algorithms. It maps an input vector onto a probability simplex and reweights the input by concentrating the probability mass at large entries. Yet, as a smooth approximation to the Argmax function, a significant amount of probability mass is distributed to other, residual entries, leading to poor interpretability and noise. Although sparsity can be achieved by a family of SoftMax variants, they often require an alternative loss function and do not preserve multi-modality. We show that this trade-off between multi-modality and sparsity limits the expressivity of SoftMax as well as its variants. We provide a solution to this tension between objectives by proposing a piece-wise differentiable function, termed MultiMax, which adaptively modulates the output distribution according to input entry range. Through comprehensive analysis and evaluation, we show that MultiMax successfully produces a distribution that supresses irrelevant entries while preserving multimodality, with benefits in image classification, language modeling and machine translation. The code is available at https://github.com/ZhouYuxuanYX/MultiMax.
Authors: Kuluhan Binici, Weiming Wu, Tulika Mitra
Abstract: Knowledge distillation (KD) is a model compression method that entails training a compact student model to emulate the performance of a more complex teacher model. However, the architectural capacity gap between the two models limits the effectiveness of knowledge transfer. Addressing this issue, previous works focused on customizing teacher-student pairs to improve compatibility, a computationally expensive process that needs to be repeated every time either model changes. Hence, these methods are impractical when a teacher model has to be compressed into different student models for deployment on multiple hardware devices with distinct resource constraints. In this work, we propose Generic Teacher Network (GTN), a one-off KD-aware training to create a generic teacher capable of effectively transferring knowledge to any student model sampled from a given finite pool of architectures. To this end, we represent the student pool as a weight-sharing supernet and condition our generic teacher to align with the capacities of various student architectures sampled from this supernet. Experimental evaluation shows that our method both improves overall KD effectiveness and amortizes the minimal additional training cost of the generic teacher across students in the pool.
Authors: Claudius Gros
Abstract: Attention regulates information transfer between tokens. For this, query and key vectors are compared, typically in terms of a scalar product, $\mathbf{Q}^T\mathbf{K}$, together with a subsequent softmax normalization. In geometric terms, the standard dot-product attention (DPA) leads to large/small attention weights for parallel/antiparallel queries and keys. Here we study expressive attention (EA), which is based on $(\mathbf{Q}^T\mathbf{K})^2$, the squared dot product. In this case, attention is enhanced when query and key are either parallel or antiparallel, and suppressed for orthogonal configurations. EA can be introduced into any attention-based code without additional compute costs or memory requirements. For a series of autoregressive prediction tasks, we find that expressive attention performs at least as well as vanilla DPA. Increasing task complexity, EA is observed to outperform DPA with increasing margins, which also holds for multi-task settings. For a given model size, EA manages to achieve 100% performance for a range of complexity levels not accessible to DPA. Our results show that it is possible to reorganize the geometry of the matching condition in the space of attention heads without loss of performance.
Authors: Hui Wang, Cho Tung Yip, Bo Li
Abstract: Gradient-based meta-learning algorithms have gained popularity for their ability to train models on new tasks using limited data. Empirical observations indicate that such algorithms are able to learn a shared representation across tasks, which is regarded as a key factor in their success. However, the in-depth theoretical understanding of the learning dynamics and the origin of the shared representation remains underdeveloped. In this work, we investigate the meta-learning dynamics of nonlinear two-layer neural networks trained on streaming tasks in the teacher-student scenario. Through the lens of statistical physics analysis, we characterize the macroscopic behavior of the meta-training processes, the formation of the shared representation, and the generalization ability of the model on new tasks. The analysis also points to the importance of the choice of certain hyperparameters of the learning algorithms.
Authors: Francesco Della Santa, Antonio Mastropietro, Sandra Pieraccini, Francesco Vaccarino
Abstract: The problem of multi-task regression over graph nodes has been recently approached through Graph-Instructed Neural Network (GINN), which is a promising architecture belonging to the subset of message-passing graph neural networks. In this work, we discuss the limitations of the Graph-Instructed (GI) layer, and we formalize a novel edge-wise GI (EWGI) layer. We discuss the advantages of the EWGI layer and we provide numerical evidence that EWGINNs perform better than GINNs over some graph-structured input data, like the ones inferred from the Barabasi-Albert graph, and improve the training regularization on graphs with chaotic connectivity, like the ones inferred from the Erdos-Renyi graph.
Authors: Jesse van Remmerden, Zaharah Bukhsh, Yingqian Zhang
Abstract: The Job Shop Scheduling Problem (JSSP) is a complex combinatorial optimization problem. While online Reinforcement Learning (RL) has shown promise by quickly finding acceptable solutions for JSSP, it faces key limitations: it requires extensive training interactions from scratch leading to sample inefficiency, cannot leverage existing high-quality solutions, and often yields suboptimal results compared to traditional methods like Constraint Programming (CP). We introduce Offline Reinforcement Learning for Learning to Dispatch (Offline-LD), which addresses these limitations by learning from previously generated solutions. Our approach is motivated by scenarios where historical scheduling data and expert solutions are available, although our current evaluation focuses on benchmark problems. Offline-LD adapts two CQL-based Q-learning methods (mQRDQN and discrete mSAC) for maskable action spaces, introduces a novel entropy bonus modification for discrete SAC, and exploits reward normalization through preprocessing. Our experiments demonstrate that Offline-LD outperforms online RL on both generated and benchmark instances. Notably, by introducing noise into the expert dataset, we achieve similar or better results than those obtained from the expert dataset, suggesting that a more diverse training set is preferable because it contains counterfactual information.
Authors: Tengfei Lyu, Weijia Zhang, Jinliang Deng, Hao Liu
Abstract: Spatio-temporal forecasting is a critical component of various smart city applications, such as transportation optimization, energy management, and socio-economic analysis. Recently, several automated spatio-temporal forecasting methods have been proposed to automatically search the optimal neural network architecture for capturing complex spatio-temporal dependencies. However, the existing automated approaches suffer from expensive neural architecture search overhead, which hinders their practical use and the further exploration of diverse spatio-temporal operators in a finer granularity. In this paper, we propose AutoSTF, a decoupled automatic neural architecture search framework for cost-effective automated spatio-temporal forecasting. From the efficiency perspective, we first decouple the mixed search space into temporal space and spatial space and respectively devise representation compression and parameter-sharing schemes to mitigate the parameter explosion. The decoupled spatio-temporal search not only expedites the model optimization process but also leaves new room for more effective spatio-temporal dependency modeling. From the effectiveness perspective, we propose a multi-patch transfer module to jointly capture multi-granularity temporal dependencies and extend the spatial search space to enable finer-grained layer-wise spatial dependency search. Extensive experiments on eight datasets demonstrate the superiority of AutoSTF in terms of both accuracy and efficiency. Specifically, our proposed method achieves up to 13.48x speed-up compared to state-of-the-art automatic spatio-temporal forecasting methods while maintaining the best forecasting accuracy.
Authors: Qiuhao Lu, Rui Li, Elham Sagheb, Andrew Wen, Jinlian Wang, Liwei Wang, Jungwei W. Fan, Hongfang Liu
Abstract: Diagnosis prediction is a critical task in healthcare, where timely and accurate identification of medical conditions can significantly impact patient outcomes. Traditional machine learning and deep learning models have achieved notable success in this domain but often lack interpretability which is a crucial requirement in clinical settings. In this study, we explore the use of neuro-symbolic methods, specifically Logical Neural Networks (LNNs), to develop explainable models for diagnosis prediction. Essentially, we design and implement LNN-based models that integrate domain-specific knowledge through logical rules with learnable thresholds. Our models, particularly $M_{\text{multi-pathway}}$ and $M_{\text{comprehensive}}$, demonstrate superior performance over traditional models such as Logistic Regression, SVM, and Random Forest, achieving higher accuracy (up to 80.52\%) and AUROC scores (up to 0.8457) in the case study of diabetes prediction. The learned weights and thresholds within the LNN models provide direct insights into feature contributions, enhancing interpretability without compromising predictive power. These findings highlight the potential of neuro-symbolic approaches in bridging the gap between accuracy and explainability in healthcare AI applications. By offering transparent and adaptable diagnostic models, our work contributes to the advancement of precision medicine and supports the development of equitable healthcare solutions. Future research will focus on extending these methods to larger and more diverse datasets to further validate their applicability across different medical conditions and populations.
Authors: Kento Nishi, Maya Okawa, Rahul Ramesh, Mikail Khona, Hidenori Tanaka, Ekdeep Singh Lubana
Abstract: Knowledge Editing (KE) algorithms alter models' weights to perform targeted updates to incorrect, outdated, or otherwise unwanted factual associations. To better identify the possibilities and limitations of these approaches, recent work has shown that applying KE can adversely affect models' factual recall accuracy and diminish their general reasoning abilities. While these studies give broad insights into the potential harms of KE algorithms, e.g., via performance evaluations on benchmarks, we argue little is understood as to why such destructive failures occur. Is it possible KE methods distort representations of concepts beyond the targeted fact, hence hampering abilities at broad? If so, what is the extent of this distortion? Motivated by such questions, we define a novel synthetic task wherein a Transformer is trained from scratch to internalize a "structured" knowledge graph. The structure enforces relationships between entities of the graph, such that editing a factual association has "trickling effects" on other entities in the graph (e.g., altering X's parent is Y to Z affects who X's siblings' parent is). Through evaluations of edited models and analysis of extracted representations, we show that KE inadvertently affects representations of entities beyond the targeted one, distorting relevant structures that allow a model to infer unseen knowledge about an entity. We call this phenomenon representation shattering and demonstrate that it results in degradation of factual recall and reasoning performance more broadly. To corroborate our findings in a more naturalistic setup, we perform preliminary experiments with pre-trained Llama and Mamba models, reproducing the representation shattering effect therein as well. Overall, our work yields a precise mechanistic hypothesis to explain why KE has adverse effects on model abilities.
Authors: Haocheng Xi, Han Cai, Ligeng Zhu, Yao Lu, Kurt Keutzer, Jianfei Chen, Song Han
Abstract: FP8 training has emerged as a promising method for improving training efficiency. Existing frameworks accelerate training by applying FP8 computation to linear layers while leaving optimizer states and activations in higher precision, which fails to fully optimize memory usage. This paper introduces COAT (Compressing Optimizer States and Activations for FP8 Training), a novel FP8 training framework designed to significantly reduce memory footprint when training large models. COAT addresses current limitations through two key innovations: (1) Dynamic Range Expansion, which aligns optimizer state distributions more closely with the FP8 representation range, thereby reducing quantization error, and (2) Mixed-Granularity Activation Quantization, which optimizes activation memory using a combination of per-tensor and per-group quantization strategies. Experiments demonstrate that COAT effectively reduces end-to-end training memory footprint by 1.54x compared to BF16 while achieving nearly lossless performance across various tasks, such as Large Language Model pretraining and fine-tuning and Vision Language Model training. COAT also achieves a 1.43x end-to-end training speedup compared to BF16, performing on par with or surpassing TransformerEngine's speedup. COAT enables efficient full-parameter training of large models on fewer GPUs, and facilitates doubling the batch size in distributed training settings, providing a practical solution for scaling large-scale model training. The code is available at https://github.com/NVlabs/COAT.
Authors: Rajesh Mangannavar, Alan Fern, Prasad Tadepalli
Abstract: We present an online planning framework for solving multi-object rearrangement problems in partially observable, multi-room environments. Current object rearrangement solutions, primarily based on Reinforcement Learning or hand-coded planning methods, often lack adaptability to diverse challenges. To address this limitation, we introduce a novel Hierarchical Object-Oriented Partially Observed Markov Decision Process (HOO-POMDP) planning approach. This approach comprises of (a) an object-oriented POMDP planner generating sub-goals, (b) a set of low-level policies for sub-goal achievement, and (c) an abstraction system converting the continuous low-level world into a representation suitable for abstract planning. We evaluate our system on varying numbers of objects, rooms, and problem types in AI2-THOR simulated environments with promising results.
Authors: Taneesh Gupta, Rahul Madhavan, Xuchao Zhang, Chetan Bansal, Saravan Rajmohan
Abstract: We introduce Simultaneous Weighted Preference Optimization (SWEPO), a novel extension of Direct Preference Optimization (DPO) designed to accommodate multiple dynamically chosen positive and negative responses for each query. SWEPO employs a weighted group contrastive loss, assigning weights to responses based on their deviation from the mean reward score. This approach effectively prioritizes responses that are significantly better or worse than the average, enhancing optimization. Our theoretical analysis demonstrates that simultaneously considering multiple preferences reduces alignment bias, resulting in more robust alignment. Additionally, we provide insights into the training dynamics of our loss function and a related function, InfoNCA. Empirical validation on the UltraFeedback dataset establishes SWEPO as state-of-the-art, with superior performance in downstream evaluations using the AlpacaEval dataset.
Authors: Rajesh Mangannavar, Stefan Lee, Alan Fern, Prasad Tadepalli
Abstract: We propose a novel approach to learn relational policies for classical planning based on learning to rank actions. We introduce a new graph representation that explicitly captures action information and propose a Graph Neural Network architecture augmented with Gated Recurrent Units (GRUs) to learn action rankings. Our model is trained on small problem instances and generalizes to significantly larger instances where traditional planning becomes computationally expensive. Experimental results across standard planning benchmarks demonstrate that our action-ranking approach achieves generalization to significantly larger problems than those used in training.
Authors: Yanchen Xu, Siqi Huang, Hongyuan Zhang, Xuelong Li
Abstract: Graph contrastive learning (GCL) has been widely used as an effective self-supervised learning method for graph representation learning. However, how to apply adequate and stable graph augmentation to generating proper views for contrastive learning remains an essential problem. Dropping edges is a primary augmentation in GCL while adding edges is not a common method due to its unstable performance. To our best knowledge, there is no theoretical analysis to study why dropping edges usually outperforms adding edges. To answer this question, we introduce a new metric, namely Error Passing Rate (EPR), to quantify how a graph fits the network. Inspired by the theoretical conclusions and the idea of positive-incentive noise, we propose a novel GCL algorithm, Error-PAssing-based Graph Contrastive Learning (EPAGCL), which uses both edge adding and edge dropping as its augmentations. To be specific, we generate views by adding and dropping edges based on the weights derived from EPR. Extensive experiments on various real-world datasets are conducted to validate the correctness of our theoretical analysis and the effectiveness of our proposed algorithm. Our code is available at: https://github.com/hyzhang98/EPAGCL.
Authors: Changchang Sun, Ren Wang, Yihua Zhang, Jinghan Jia, Jiancheng Liu, Gaowen Liu, Sijia Liu, Yan Yan
Abstract: Machine unlearning (MU), which seeks to erase the influence of specific unwanted data from already-trained models, is becoming increasingly vital in model editing, particularly to comply with evolving data regulations like the ``right to be forgotten''. Conventional approaches are predominantly model-based, typically requiring retraining or fine-tuning the model's weights to meet unlearning requirements. In this work, we approach the MU problem from a novel input perturbation-based perspective, where the model weights remain intact throughout the unlearning process. We demonstrate the existence of a proactive input-based unlearning strategy, referred to forget vector, which can be generated as an input-agnostic data perturbation and remains as effective as model-based approximate unlearning approaches. We also explore forget vector arithmetic, whereby multiple class-specific forget vectors are combined through simple operations (e.g., linear combinations) to generate new forget vectors for unseen unlearning tasks, such as forgetting arbitrary subsets across classes. Extensive experiments validate the effectiveness and adaptability of the forget vector, showcasing its competitive performance relative to state-of-the-art model-based methods. Codes are available at https://github.com/Changchangsun/Forget-Vector.
Authors: Fumiyasu Makinoshima, Tatsuya Mitomi, Fumiya Makihara, Eigo Segawa
Abstract: Discrete choice models are essential for modelling various decision-making processes in human behaviour. However, the specification of these models has depended heavily on domain knowledge from experts, and the fully automated but interpretable modelling of complex human behaviours has been a long-standing challenge. In this paper, we introduce the differentiable discrete choice model (Diff-DCM), a fully data-driven method for the interpretable modelling, learning, prediction, and control of complex human behaviours, which is realised by differentiable programming. Solely from input features and choice outcomes without any prior knowledge, Diff-DCM can estimate interpretable closed-form utility functions that reproduce observed behaviours. Comprehensive experiments with both synthetic and real-world data demonstrate that Diff-DCM can be applied to various types of data and requires only a small amount of computational resources for the estimations, which can be completed within tens of seconds on a laptop without any accelerators. In these experiments, we also demonstrate that, using its differentiability, Diff-DCM can provide useful insights into human behaviours, such as an optimal intervention path for effective behavioural changes. This study provides a strong basis for the fully automated and reliable modelling, prediction, and control of human behaviours.
Authors: Itamar Shoshani, Ohad Shamir
Abstract: Learning parity functions is a canonical problem in learning theory, which although computationally tractable, is not amenable to standard learning algorithms such as gradient-based methods. This hardness is usually explained via statistical query lower bounds [Kearns, 1998]. However, these bounds only imply that for any given algorithm, there is some worst-case parity function that will be hard to learn. Thus, they do not explain why fixed parities - say, the full parity function over all coordinates - are difficult to learn in practice, at least with standard predictors and gradient-based methods [Abbe and Boix-Adsera, 2022]. In this paper, we address this open problem, by showing that for any fixed parity of some minimal size, using it as a target function to train one-hidden-layer ReLU networks with perturbed gradient descent will fail to produce anything meaningful. To establish this, we prove a new result about the decay of the Fourier coefficients of linear threshold (or weighted majority) functions, which may be of independent interest.
Authors: Syamantak Datta Gupta
Abstract: While recent advancements in foundation models have significantly impacted machine learning, rigorous tests on the performance of time series foundation models (TSFMs) remain largely underexplored. This paper presents an empirical study evaluating the zero-shot, long-horizon forecasting abilities of several leading TSFMs over two synthetic datasets constituting noisy periodic time series. We assess model efficacy across different noise levels, underlying frequencies, and sampling rates. As benchmarks for comparison, we choose two statistical techniques: a Fourier transform (FFT)-based approach and a linear autoregressive (AR) model. Our findings demonstrate that while for time series with bounded periods and higher sampling rates, TSFMs can match or outperform the statistical approaches, their forecasting abilities deteriorate with longer periods, higher noise levels, lower sampling rates and more complex shapes of the time series.
Authors: Syed Tahir Hussain Rizvi, Neel Kanwal, Muddasar Naeem, Alfredo Cuzzocrea, Antonio Coronato
Abstract: Time Series Forecasting (TSF) is an important application across many fields. There is a debate about whether Transformers, despite being good at understanding long sequences, struggle with preserving temporal relationships in time series data. Recent research suggests that simpler linear models might outperform or at least provide competitive performance compared to complex Transformer-based models for TSF tasks. In this paper, we propose a novel data-efficient architecture, GLinear, for multivariate TSF that exploits periodic patterns to provide better accuracy. It also provides better prediction accuracy by using a smaller amount of historical data compared to other state-of-the-art linear predictors. Four different datasets (ETTh1, Electricity, Traffic, and Weather) are used to evaluate the performance of the proposed predictor. A performance comparison with state-of-the-art linear architectures (such as NLinear, DLinear, and RLinear) and transformer-based time series predictor (Autoformer) shows that the GLinear, despite being parametrically efficient, significantly outperforms the existing architectures in most cases of multivariate TSF. We hope that the proposed GLinear opens new fronts of research and development of simpler and more sophisticated architectures for data and computationally efficient time-series analysis.
Authors: Zeke Xie, Zheng He, Nan Lu, Lichen Bai, Bao Li, Shuo Yang, Mingming Sun, Ping Li
Abstract: Real-world data often contains intrinsic ambiguity that the common single-hard-label annotation paradigm ignores. Standard training using ambiguous data with these hard labels may produce overly confident models and thus leading to poor generalization. In this paper, we propose a novel framework called Quantized Label Learning (QLL) to alleviate this issue. First, we formulate QLL as learning from (very) ambiguous data with hard labels: ideally, each ambiguous instance should be associated with a ground-truth soft-label distribution describing its corresponding probabilistic weight in each class, however, this is usually not accessible; in practice, we can only observe a quantized label, i.e., a hard label sampled (quantized) from the corresponding ground-truth soft-label distribution, of each instance, which can be seen as a biased approximation of the ground-truth soft-label. Second, we propose a Class-wise Positive-Unlabeled (CPU) risk estimator that allows us to train accurate classifiers from only ambiguous data with quantized labels. Third, to simulate ambiguous datasets with quantized labels in the real world, we design a mixing-based ambiguous data generation procedure for empirical evaluation. Experiments demonstrate that our CPU method can significantly improve model generalization performance and outperform the baselines.
Authors: Chien-Ping Lu
Abstract: As large-scale AI models expand, training becomes costlier and sustaining progress grows harder. Classical scaling laws (e.g., Kaplan et al. (2020), Hoffmann et al. (2022)) predict training loss from a static compute budget yet neglect time and efficiency, prompting the question: how can we balance ballooning GPU fleets with rapidly improving hardware and algorithms? We introduce the relative-loss equation, a time- and efficiency-aware framework that extends classical AI scaling laws. Our model shows that, without ongoing efficiency gains, advanced performance could demand millennia of training or unrealistically large GPU fleets. However, near-exponential progress remains achievable if the "efficiency-doubling rate" parallels Moore's Law. By formalizing this race to efficiency, we offer a quantitative roadmap for balancing front-loaded GPU investments with incremental improvements across the AI stack. Empirical trends suggest that sustained efficiency gains can push AI scaling well into the coming decade, providing a new perspective on the diminishing returns inherent in classical scaling.
Authors: Markus J. Buehler
Abstract: We present an approach to modifying Transformer architectures by integrating graph-aware relational reasoning into the attention mechanism, merging concepts from graph neural networks and language modeling. Building on the inherent connection between attention and graph theory, we reformulate the Transformer's attention mechanism as a graph operation and propose Graph-Aware Isomorphic Attention. This method leverages advanced graph modeling strategies, including Graph Isomorphism Networks (GIN) and Principal Neighborhood Aggregation (PNA), to enrich the representation of relational structures. Our approach captures complex dependencies and generalizes across tasks, as evidenced by a reduced generalization gap and improved learning performance. Additionally, we expand the concept of graph-aware attention to introduce Sparse GIN-Attention, a fine-tuning approach that employs sparse GINs. By interpreting attention matrices as sparse adjacency graphs, this technique enhances the adaptability of pre-trained foundational models with minimal computational overhead, endowing them with graph-aware capabilities. Sparse GIN-Attention fine-tuning achieves improved training dynamics and better generalization compared to alternative methods like low-rank adaption (LoRA). We discuss latent graph-like structures within traditional attention mechanisms, offering a new lens through which Transformers can be understood. By evolving Transformers as hierarchical GIN models for relational reasoning. This perspective suggests profound implications for foundational model development, enabling the design of architectures that dynamically adapt to both local and global dependencies. Applications in bioinformatics, materials science, language modeling, and beyond could benefit from this synthesis of relational and sequential data modeling, setting the stage for interpretable and generalizable modeling strategies.
Authors: Naichang Ke, Ryogo Tanaka, Yoshinobu Kawahara
Abstract: We consider an operator-based latent Markov representation of a stochastic nonlinear dynamical system, where the stochastic evolution of the latent state embedded in a reproducing kernel Hilbert space is described with the corresponding transfer operator, and develop a spectral method to learn this representation based on the theory of stochastic realization. The embedding may be learned simultaneously using reproducing kernels, for example, constructed with feed-forward neural networks. We also address the generalization of sequential state-estimation (Kalman filtering) in stochastic nonlinear systems, and of operator-based eigen-mode decomposition of dynamics, for the representation. Several examples with synthetic and real-world data are shown to illustrate the empirical characteristics of our methods, and to investigate the performance of our model in sequential state-estimation and mode decomposition.
Authors: Xin Cao, Qinghua Tao, Yingjie Zhou, Lu Zhang, Le Zhang, Dongjin Song, Dapeng Oliver Wu, Ce Zhu
Abstract: Residential load forecasting (RLF) is crucial for resource scheduling in power systems. Most existing methods utilize all given load records (dense data) to indiscriminately extract the dependencies between historical and future time series. However, there exist important regular patterns residing in the event-related associations among different appliances (sparse knowledge), which have yet been ignored. In this paper, we propose an Event-Response Knowledge Guided approach (ERKG) for RLF by incorporating the estimation of electricity usage events for different appliances, mining event-related sparse knowledge from the load series. With ERKG, the event-response estimation enables portraying the electricity consumption behaviors of residents, revealing regular variations in appliance operational states. To be specific, ERKG consists of knowledge extraction and guidance: i) a forecasting model is designed for the electricity usage events by estimating appliance operational states, aiming to extract the event-related sparse knowledge; ii) a novel knowledge-guided mechanism is established by fusing such state estimates of the appliance events into the RLF model, which can give particular focuses on the patterns of users' electricity consumption behaviors. Notably, ERKG can flexibly serve as a plug-in module to boost the capability of existing forecasting models by leveraging event response. In numerical experiments, extensive comparisons and ablation studies have verified the effectiveness of our ERKG, e.g., over 8% MAE can be reduced on the tested state-of-the-art forecasting models.
Authors: Kavi Gupta, Kate Sanders, Armando Solar-Lezama
Abstract: Can LLMs pick up language structure from examples? Evidence in prior work seems to indicate yes, as pretrained models repeatedly demonstrate the ability to adapt to new language structures and vocabularies. However, this line of research typically considers languages that are present within common pretraining datasets, or otherwise share notable similarities with these seen languages. In contrast, in this work we attempt to measure models' language understanding capacity while circumventing the risk of dataset recall. We parameterize large families of language tasks recognized by deterministic finite automata (DFAs), and can thus sample novel language reasoning problems to fairly evaulate LLMs regardless of training data. We find that, even in the strikingly simple setting of 3-state DFAs, LLMs underperform unparameterized ngram models on both language recognition and synthesis tasks. These results suggest that LLMs struggle to match the ability of basic language models in recognizing and reasoning over languages that are sufficiently distinct from the ones they see at training time, underscoring the distinction between learning individual languages and possessing a general theory of language.
Authors: Amitava Das, Suranjana Trivedy, Danush Khanna, Rajarshi Roy, Gurpreet Singh, Basab Ghosh, Yaswanth Narsupalli, Vinija Jain, Vasu Sharma, Aishwarya Naresh Reganti, Aman Chadha
Abstract: The rapid rise of large language models (LLMs) has unlocked many applications but also underscores the challenge of aligning them with diverse values and preferences. Direct Preference Optimization (DPO) is central to alignment but constrained by fixed divergences and limited feature transformations. We propose DPO-Kernels, which integrates kernel methods to address these issues through four key contributions: (i) Kernelized Representations with polynomial, RBF, Mahalanobis, and spectral kernels for richer transformations, plus a hybrid loss combining embedding-based and probability-based objectives; (ii) Divergence Alternatives (Jensen-Shannon, Hellinger, Renyi, Bhattacharyya, Wasserstein, and f-divergences) for greater stability; (iii) Data-Driven Selection metrics that automatically choose the best kernel-divergence pair; and (iv) a Hierarchical Mixture of Kernels for both local precision and global modeling. Evaluations on 12 datasets demonstrate state-of-the-art performance in factuality, safety, reasoning, and instruction following. Grounded in Heavy-Tailed Self-Regularization, DPO-Kernels maintains robust generalization for LLMs, offering a comprehensive resource for further alignment research.
Authors: Shuo Tong, Han Liu, Runyuan Guo, Wenqing Wang, Xueqiong Tian, Lingyun Wei, Lin Zhang, Huayong Wu, Ding Liu, Youmin Zhang
Abstract: Data-driven soft sensors are crucial in predicting key performance indicators in industrial systems. However, current methods predominantly rely on the supervised learning paradigms of parameter updating, which inherently faces challenges such as high development costs, poor robustness, training instability, and lack of interpretability. Recently, large language models (LLMs) have demonstrated significant potential across various domains, notably through In-Context Learning (ICL), which enables high-performance task execution with minimal input-label demonstrations and no prior training. This paper aims to replace supervised learning with the emerging ICL paradigm for soft sensor modeling to address existing challenges and explore new avenues for advancement. To achieve this, we propose a novel framework called the Few-shot Uncertainty-aware and self-Explaining Soft Sensor (LLM-FUESS), which includes the Zero-shot Auxiliary Variable Selector (LLM-ZAVS) and the Uncertainty-aware Few-shot Soft Sensor (LLM-UFSS). The LLM-ZAVS retrieves from the Industrial Knowledge Vector Storage to enhance LLMs' domain-specific knowledge, enabling zero-shot auxiliary variable selection. In the LLM-UFSS, we utilize text-based context demonstrations of structured data to prompt LLMs to execute ICL for predicting and propose a context sample retrieval augmentation strategy to improve performance. Additionally, we explored LLMs' AIGC and probabilistic characteristics to propose self-explanation and uncertainty quantification methods for constructing a trustworthy soft sensor. Extensive experiments demonstrate that our method achieved state-of-the-art predictive performance, strong robustness, and flexibility, effectively mitigates training instability found in traditional methods. To the best of our knowledge, this is the first work to establish soft sensor utilizing LLMs.
Authors: Donatella Genovese, Alessandro Sgroi, Alessio Devoto, Samuel Valentine, Lennox Wood, Cristiano Sebastiani, Stefano Giagu, Monica D'Onofrio, Simone Scardapane
Abstract: The Large Hadron Collider at CERN produces immense volumes of complex data from high-energy particle collisions, demanding sophisticated analytical techniques for effective interpretation. Neural Networks, including Graph Neural Networks, have shown promise in tasks such as event classification and object identification by representing collisions as graphs. However, while Graph Neural Networks excel in predictive accuracy, their "black box" nature often limits their interpretability, making it difficult to trust their decision-making processes. In this paper, we propose a novel approach that combines a Graph Transformer model with Mixture-of-Expert layers to achieve high predictive performance while embedding interpretability into the architecture. By leveraging attention maps and expert specialization, the model offers insights into its internal decision-making, linking predictions to physics-informed features. We evaluate the model on simulated events from the ATLAS experiment, focusing on distinguishing rare Supersymmetric signal events from Standard Model background. Our results highlight that the model achieves competitive classification accuracy while providing interpretable outputs that align with known physics, demonstrating its potential as a robust and transparent tool for high-energy physics data analysis. This approach underscores the importance of explainability in machine learning methods applied to high energy physics, offering a path toward greater trust in AI-driven discoveries.
Authors: Tianyang Duan, Zongyuan Zhang, Zheng Lin, Yue Gao, Ling Xiong, Yong Cui, Hongbin Liang, Xianhao Chen, Heming Cui, Dong Huang
Abstract: Deep Reinforcement Learning (DRL) suffers from uncertainties and inaccuracies in the observation signal in realworld applications. Adversarial attack is an effective method for evaluating the robustness of DRL agents. However, existing attack methods targeting individual sampled actions have limited impacts on the overall policy distribution, particularly in continuous action spaces. To address these limitations, we propose the Distribution-Aware Projected Gradient Descent attack (DAPGD). DAPGD uses distribution similarity as the gradient perturbation input to attack the policy network, which leverages the entire policy distribution rather than relying on individual samples. We utilize the Bhattacharyya distance in DAPGD to measure policy similarity, enabling sensitive detection of subtle but critical differences between probability distributions. Our experiment results demonstrate that DAPGD achieves SOTA results compared to the baselines in three robot navigation tasks, achieving an average 22.03% higher reward drop compared to the best baseline.
Authors: Daiqi Gao, Yufeng Liu, Donglin Zeng
Abstract: Dynamic treatment regimes or policies are a sequence of decision functions over multiple stages that are tailored to individual features. One important class of treatment policies in practice, namely multi-stage stationary treatment policies, prescribes treatment assignment probabilities using the same decision function across stages, where the decision is based on the same set of features consisting of time-evolving variables (e.g., routinely collected disease biomarkers). Although there has been extensive literature on constructing valid inference for the value function associated with dynamic treatment policies, little work has focused on the policies themselves, especially in the presence of high-dimensional feature variables. We aim to fill the gap in this work. Specifically, we first estimate the multi-stage stationary treatment policy using an augmented inverse probability weighted estimator for the value function to increase asymptotic efficiency, and further apply a penalty to select important feature variables. We then construct one-step improvements of the policy parameter estimators for valid inference. Theoretically, we show that the improved estimators are asymptotically normal, even if nuisance parameters are estimated at a slow convergence rate and the dimension of the feature variables increases with the sample size. Our numerical studies demonstrate that the proposed method estimates a sparse policy with a near-optimal value function and conducts valid inference for the policy parameters.
Authors: Victor Rielly, Kamel Lahouel, Ethan Lew, Nicholas Fisher, Vicky Haney, Michael Wells, Bruno Jedynak
Abstract: Learning a nonparametric system of ordinary differential equations from trajectories in a $d$-dimensional state space requires learning $d$ functions of $d$ variables. Explicit formulations often scale quadratically in $d$ unless additional knowledge about system properties, such as sparsity and symmetries, is available. In this work, we propose a linear approach, the multivariate occupation kernel method (MOCK), using the implicit formulation provided by vector-valued reproducing kernel Hilbert spaces. The solution for the vector field relies on multivariate occupation kernel functions associated with the trajectories and scales linearly with the dimension of the state space. We validate through experiments on a variety of simulated and real datasets ranging from 2 to 1024 dimensions. MOCK outperforms all other comparators on 3 of the 9 datasets on full trajectory prediction and 4 out of the 9 datasets on next-point prediction.
Authors: David R. Johnson, Joyce A. Chew, Edward De Brouwer, Smita Krishnaswamy, Deanna Needell, Michael Perlmutter
Abstract: In order to better understand manifold neural networks (MNNs), we introduce Manifold Filter-Combine Networks (MFCNs). Our filter-combine framework parallels the popular aggregate-combine paradigm for graph neural networks (GNNs) and naturally suggests many interesting families of MNNs which can be interpreted as manifold analogues of various popular GNNs. We propose a method for implementing MFCNs on high-dimensional point clouds that relies on approximating an underlying manifold by a sparse graph. We then prove that our method is consistent in the sense that it converges to a continuum limit as the number of data points tends to infinity, and we numerically demonstrate its effectiveness on real-world and synthetic data sets.
Authors: \"Ozg\"un Turgut, Philip M\"uller, Paul Hager, Suprosanna Shit, Sophie Starck, Martin J. Menten, Eimo Martens, Daniel Rueckert
Abstract: Cardiovascular diseases (CVD) can be diagnosed using various diagnostic modalities. The electrocardiogram (ECG) is a cost-effective and widely available diagnostic aid that provides functional information of the heart. However, its ability to classify and spatially localise CVD is limited. In contrast, cardiac magnetic resonance (CMR) imaging provides detailed structural information of the heart and thus enables evidence-based diagnosis of CVD, but long scan times and high costs limit its use in clinical routine. In this work, we present a deep learning strategy for cost-effective and comprehensive cardiac screening solely from ECG. Our approach combines multimodal contrastive learning with masked data modelling to transfer domain-specific information from CMR imaging to ECG representations. In extensive experiments using data from 40,044 UK Biobank subjects, we demonstrate the utility and generalisability of our method for subject-specific risk prediction of CVD and the prediction of cardiac phenotypes using only ECG data. Specifically, our novel multimodal pre-training paradigm improves performance by up to 12.19 % for risk prediction and 27.59 % for phenotype prediction. In a qualitative analysis, we demonstrate that our learned ECG representations incorporate information from CMR image regions of interest. Our entire pipeline is publicly available at https://github.com/oetu/MMCL-ECG-CMR.
Authors: Andrew Lee, Harlin Lee, Jose A. Perea, Nikolas Schonsheck, Madeleine Weinstein
Abstract: Many real-world datasets live on high-dimensional Stiefel and Grassmannian manifolds, $V_k(\mathbb{R}^N)$ and $Gr(k, \mathbb{R}^N)$ respectively, and benefit from projection onto lower-dimensional Stiefel and Grassmannian manifolds. In this work, we propose an algorithm called \textit{Principal Stiefel Coordinates (PSC)} to reduce data dimensionality from $ V_k(\mathbb{R}^N)$ to $V_k(\mathbb{R}^n)$ in an \textit{$O(k)$-equivariant} manner ($k \leq n \ll N$). We begin by observing that each element $\alpha \in V_n(\mathbb{R}^N)$ defines an isometric embedding of $V_k(\mathbb{R}^n)$ into $V_k(\mathbb{R}^N)$. Next, we describe two ways of finding a suitable embedding map $\alpha$: one via an extension of principal component analysis ($\alpha_{PCA}$), and one that further minimizes data fit error using gradient descent ($\alpha_{GD}$). Then, we define a continuous and $O(k)$-equivariant map $\pi_\alpha$ that acts as a "closest point operator" to project the data onto the image of $V_k(\mathbb{R}^n)$ in $V_k(\mathbb{R}^N)$ under the embedding determined by $\alpha$, while minimizing distortion. Because this dimensionality reduction is $O(k)$-equivariant, these results extend to Grassmannian manifolds as well. Lastly, we show that $\pi_{\alpha_{PCA}}$ globally minimizes projection error in a noiseless setting, while $\pi_{\alpha_{GD}}$ achieves a meaningfully different and improved outcome when the data does not lie exactly on the image of a linearly embedded lower-dimensional Stiefel manifold as above. Multiple numerical experiments using synthetic and real-world data are performed.
Authors: Charuta Pethe, Bach Pham, Felix D Childress, Yunting Yin, Steven Skiena
Abstract: Recent advances in text-to-speech have made it possible to generate natural-sounding audio from text. However, audiobook narrations involve dramatic vocalizations and intonations by the reader, with greater reliance on emotions, dialogues, and descriptions in the narrative. Using our dataset of 93 aligned book-audiobook pairs, we present improved models for prosody prediction properties (pitch, volume, and rate of speech) from narrative text using language modeling. Our predicted prosody attributes correlate much better with human audiobook readings than results from a state-of-the-art commercial TTS system: our predicted pitch shows a higher correlation with human reading for 22 out of the 24 books, while our predicted volume attribute proves more similar to human reading for 23 out of the 24 books. Finally, we present a human evaluation study to quantify the extent that people prefer prosody-enhanced audiobook readings over commercial text-to-speech systems.
Authors: Jiawei Lu, Tinghan Ye, Wenbo Chen, Pascal Van Hentenryck
Abstract: Optimizing service schedules is pivotal to the reliable, efficient, and inclusive on-demand mobility. This pressing challenge is further exacerbated by the increasing needs of an aging population, the oversubscription of existing services, and the lack of effective solution methods. This study addresses the intricacies of service scheduling, by jointly optimizing rider trip planning and crew scheduling for a complex dynamic mobility service. The resulting optimization problems are extremely challenging computationally for state-of-the-art methods. To address this fundamental gap, this paper introduces the Joint Rider Trip Planning and Crew Shift Scheduling Problem (JRTPCSSP) and a novel solution method, called Attention and Gated GNN-Informed Column Generation (AGGNNI-CG), that hybridizes column generation and machine learning to obtain near-optimal solutions to the JRTPCSSP with real-life constraints of the application. The key idea of the machine-learning component is to dramatically reduce the number of paths to explore in the pricing problem, accelerating the most time-consuming component of the column generation. The machine learning component is a graph neural network with an attention mechanism and a gated architecture, which is particularly suited to cater for the different input sizes coming from daily operations. AGGNNI-CG has been applied to a challenging, real-world dataset from the Paratransit system of Chatham County in Georgia. It produces substantial improvements compared to the baseline column generation approach, which typically cannot produce high-quality feasible solutions in reasonable time on large-scale complex instances. AGGNNI-CG also produces significant improvements in service quality compared to the existing system.
Authors: Philipp Spitzer, Joshua Holstein, Patrick Hemmer, Michael V\"ossing, Niklas K\"uhl, Dominik Martin, Gerhard Satzger
Abstract: The integration of artificial intelligence (AI) into human decision-making processes at the workplace presents both opportunities and challenges. One promising approach to leverage existing complementary capabilities is allowing humans to delegate individual instances of decision tasks to AI. However, enabling humans to delegate instances effectively requires them to assess several factors. One key factor is the analysis of both their own capabilities and those of the AI in the context of the given task. In this work, we conduct a behavioral study to explore the effects of providing contextual information to support this delegation decision. Specifically, we investigate how contextual information about the AI and the task domain influence humans' delegation decisions to an AI and their impact on the human-AI team performance. Our findings reveal that access to contextual information significantly improves human-AI team performance in delegation settings. Finally, we show that the delegation behavior changes with the different types of contextual information. Overall, this research advances the understanding of computer-supported, collaborative work and provides actionable insights for designing more effective collaborative systems.
Authors: Massimiliano Datres, Gian Paolo Leonardi, Alessio Figalli, David Sutter
Abstract: We introduce a novel capacity measure 2sED for statistical models based on the effective dimension. The new quantity provably bounds the generalization error under mild assumptions on the model. Furthermore, simulations on standard data sets and popular model architectures show that 2sED correlates well with the training error. For Markovian models, we show how to efficiently approximate 2sED from below through a layerwise iterative approach, which allows us to tackle deep learning models with a large number of parameters. Simulation results suggest that the approximation is good for different prominent models and data sets.
Authors: Salman Ul Hassan Dar, Marvin Seyfarth, Isabelle Ayx, Theano Papavassiliu, Stefan O. Schoenberg, Robert Malte Siepmann, Fabian Christopher Laqua, Jannik Kahmann, Norbert Frey, Bettina Bae{\ss}ler, Sebastian Foersch, Daniel Truhn, Jakob Nikolas Kather, Sandy Engelhardt
Abstract: AI models present a wide range of applications in the field of medicine. However, achieving optimal performance requires access to extensive healthcare data, which is often not readily available. Furthermore, the imperative to preserve patient privacy restricts patient data sharing with third parties and even within institutes. Recently, generative AI models have been gaining traction for facilitating open-data sharing by proposing synthetic data as surrogates of real patient data. Despite the promise, some of these models are susceptible to patient data memorization, where models generate patient data copies instead of novel synthetic samples. Considering the importance of the problem, surprisingly it has received relatively little attention in the medical imaging community. To this end, we assess memorization in unconditional latent diffusion models. We train latent diffusion models on CT, MR, and X-ray datasets for synthetic data generation. We then detect the amount of training data memorized utilizing our novel self-supervised copy detection approach and further investigate various factors that can influence memorization. Our findings show a surprisingly high degree of patient data memorization across all datasets. Comparison with non-diffusion generative models, such as autoencoders and generative adversarial networks, indicates that while latent diffusion models are more susceptible to memorization, overall they outperform non-diffusion models in synthesis quality. Further analyses reveal that using augmentation strategies, small architecture, and increasing dataset can reduce memorization while over-training the models can enhance it. Collectively, our results emphasize the importance of carefully training generative models on private medical imaging datasets, and examining the synthetic data to ensure patient privacy before sharing it for medical research and applications.
Authors: Xuemei Gu, Mario Krenn
Abstract: The exponential growth in scientific publications poses a severe challenge for human researchers. It forces attention to more narrow sub-fields, which makes it challenging to discover new impactful research ideas and collaborations outside one's own field. While there are ways to predict a scientific paper's future citation counts, they need the research to be finished and the paper written, usually assessing impact long after the idea was conceived. Here we show how to predict the impact of onsets of ideas that have never been published by researchers. For that, we developed a large evolving knowledge graph built from more than 21 million scientific papers. It combines a semantic network created from the content of the papers and an impact network created from the historic citations of papers. Using machine learning, we can predict the dynamic of the evolving network into the future with high accuracy (AUC values beyond 0.9 for most experiments), and thereby the impact of new research directions. We envision that the ability to predict the impact of new ideas will be a crucial component of future artificial muses that can inspire new impactful and interesting scientific ideas.
Authors: Lu Yu, Arnak Dalalyan
Abstract: We study the problem of sampling from a target probability density function in frameworks where parallel evaluations of the log-density gradient are feasible. Focusing on smooth and strongly log-concave densities, we revisit the parallelized randomized midpoint method and investigate its properties using recently developed techniques for analyzing its sequential version. Through these techniques, we derive upper bounds on the Wasserstein distance between sampling and target densities. These bounds quantify the substantial runtime improvements achieved through parallel processing.
Authors: Yan Jia, Yuxin Song, Zihou Liu, Qingyin Tan, Yang Song, Yu Zhang, Zheli Liu
Abstract: The Consumer Internet of Things (CIoT), a notable segment within the IoT domain, involves the integration of IoT technology into consumer electronics and devices, such as smart homes and smart wearables. Compared to traditional IoT fields, CIoT differs notably in target users, product types, and design approaches. While offering convenience to users, it also raises new security and privacy concerns. Network traffic analysis, a widely used technique in the security community, has been extensively applied to investigate these concerns about CIoT. Compared to network traffic analysis in other fields such as mobile apps and websites, CIoT presents unique characteristics, introducing new challenges and research opportunities. Researchers have made significant contributions in this area. To aid researchers in understanding the application of traffic analysis tools for studying CIoT security and privacy risks, this survey reviews 303 publications on traffic analysis within the CIoT security and privacy domain from January 2018 to June 2024, focusing on three research questions. Our work: 1) outlines the CIoT traffic analysis process and highlights its differences from general network traffic analysis. 2) summarizes and classifies existing research into four categories according to its application objectives: device fingerprinting, user activity inference, malicious traffic detection, and measurement. 3) explores emerging challenges and potential future research directions based on each step of the CIoT traffic analysis process. This will provide new insights to the community and guide the industry towards safer product designs.
Authors: Yinhong Liu, Han Zhou, Zhijiang Guo, Ehsan Shareghi, Ivan Vuli\'c, Anna Korhonen, Nigel Collier
Abstract: Large Language Models (LLMs) have demonstrated promising capabilities as automatic evaluators in assessing the quality of generated natural language. However, LLMs still exhibit biases in evaluation and often struggle to generate coherent evaluations that align with human assessments. In this work, we first conduct a systematic study of the misalignment between LLM evaluators and human judgement, revealing that existing calibration methods aimed at mitigating biases are insufficient for effectively aligning LLM evaluators. Inspired by the use of preference data in RLHF, we formulate the evaluation as a ranking problem and introduce Pairwise-preference Search (PairS), an uncertainty-guided search method that employs LLMs to conduct pairwise comparisons and efficiently ranks candidate texts. PairS achieves state-of-the-art performance on representative evaluation tasks and demonstrates significant improvements over direct scoring. Furthermore, we provide insights into the role of pairwise preference in quantifying the transitivity of LLMs and demonstrate how PairS benefits from calibration.
Authors: Benjamin Steenhoek, Md Mahbubur Rahman, Monoshi Kumar Roy, Mirza Sanjida Alam, Hengbo Tong, Swarna Das, Earl T. Barr, Wei Le
Abstract: In this paper, we present a challenging code reasoning task: vulnerability detection. Large Language Models (LLMs) have shown promising results in natural-language and math reasoning, but state-of-the-art (SOTA) models reported only 54.5% Balanced Accuracy in our vulnerability detection evaluation, even those models pre-trained on large amounts of source code. Our error analysis on LLM responses shows that the models struggle to reason about the code semantics relevant to identifying vulnerabilities, especially subtle semantic differences caused by small textual changes. We explored prominent models and training settings to understand their effects on vulnerability detection performance -- including better prompts, larger models, more pre-training data, and fine-tuning -- but none led to significant improvements. This raises the question of whether simply scaling training data and model size will allow us to "solve" complex code reasoning tasks like vulnerability detection, or if a fundamental shift in modeling and training techniques is required. We also explored adding domain knowledge to prompts; although it helped certain models understand some code semantics, vulnerability detection requires multi-step reasoning, and these models still failed in steps, such as reasoning about variable relations. Our results suggest that new models, new training methods, or more execution-specific pretraining data may be needed to conquer vulnerability detection. We speculate that auto-regressive pre-training on source code may not effectively extract code semantics, especially on the current pretraining mixtures, in which execution data is scarce. Success on vulnerability detection as a code reasoning task can benefit many areas of software engineering such as debugging, test input generation, and program repair. Our code and data are available at https://doi.org/10.6084/m9.figshare.27368025.
Authors: Hritik Bansal, Ashima Suvarna, Gantavya Bhatt, Nanyun Peng, Kai-Wei Chang, Aditya Grover
Abstract: A common technique for aligning large language models (LLMs) relies on acquiring human preferences by comparing multiple generations conditioned on a fixed context. This method, however, relies solely on pairwise comparisons, where the generations are evaluated within an identical context. While effective to such conditional preferences often fail to encompass the nuanced and multidimensional nature of human preferences. In this work, we revisit the traditional paradigm of preference acquisition and propose a new axis based on eliciting preferences jointly over the instruction-response pairs. Unlike prior preference optimizations, which are designed for conditional ranking protocols (e.g., DPO), we propose Joint Preference Optimization (JPO), a new preference optimization objective that upweights the joint probability of the chosen instruction-response pair over the rejected instruction-response pair. Interestingly, LLMs trained with joint instruction-response preference data using JPO outperform LLM trained with DPO by $5.2\%$ and $3.3\%$ win-rate for summarization and open-ended dialogue datasets, respectively. Our findings reveal that joint preferences over instruction and response pairs can significantly enhance the alignment of LLMs by tapping into a broader spectrum of human preference elicitation. The data and code is available at https://github.com/Hritikbansal/dove.
Authors: Jiaming He, Wenbo Jiang, Guanyu Hou, Wenshu Fan, Rui Zhang, Hongwei Li
Abstract: Mainstream backdoor attacks on large language models (LLMs) typically set a fixed trigger in the input instance and specific responses for triggered queries. However, the fixed trigger setting (e.g., unusual words) may be easily detected by human detection, limiting the effectiveness and practicality in real-world scenarios. To enhance the stealthiness of backdoor activation, we present a new poisoning paradigm against LLMs triggered by specifying generation conditions, which are commonly adopted strategies by users during model inference. The poisoned model performs normally for output under normal/other generation conditions, while becomes harmful for output under target generation conditions. To achieve this objective, we introduce BrieFool, an efficient attack framework. It leverages the characteristics of generation conditions by efficient instruction sampling and poisoning data generation, thereby influencing the behavior of LLMs under target conditions. Our attack can be generally divided into two types with different targets: Safety unalignment attack and Ability degradation attack. Our extensive experiments demonstrate that BrieFool is effective across safety domains and ability domains, achieving higher success rates than baseline methods, with 94.3 % on GPT-3.5-turbo
Authors: Francesco Prinzi, Carmelo Militello, Calogero Zarcaro, Tommaso Vincenzo Bartolotta, Salvatore Gaglio, Salvatore Vitabile
Abstract: In recent years, machine learning-based clinical decision support systems (CDSS) have played a key role in the analysis of several medical conditions. Despite their promising capabilities, the lack of transparency in AI models poses significant challenges, particularly in medical contexts where reliability is a mandatory aspect. However, it appears that explainability is inversely proportional to accuracy. For this reason, achieving transparency without compromising predictive accuracy remains a key challenge. This paper presents a novel method, namely Rad4XCNN, to enhance the predictive power of CNN-derived features with the inherent interpretability of radiomic features. Rad4XCNN diverges from conventional methods based on saliency maps, by associating intelligible meaning to CNN-derived features by means of Radiomics, offering new perspectives on explanation methods beyond visualization maps. Using a breast cancer classification task as a case study, we evaluated Rad4XCNN on ultrasound imaging datasets, including an online dataset and two in-house datasets for internal and external validation. Some key results are: i) CNN-derived features guarantee more robust accuracy when compared against ViT-derived and radiomic features; ii) conventional visualization map methods for explanation present several pitfalls; iii) Rad4XCNN does not sacrifice model accuracy for their explainability; iv) Rad4XCNN provides a global explanation enabling the physician to extract global insights and findings. Our method can mitigate some concerns related to the explainability-accuracy trade-off. This study highlighted the importance of proposing new methods for model explanation without affecting their accuracy.
Authors: Anton Semenkin, Vitaliy Bibaev, Yaroslav Sokolov, Kirill Krylov, Alexey Kalina, Anna Khannanova, Danila Savenkov, Darya Rovdo, Igor Davidenko, Kirill Karnaukhov, Maxim Vakhrushev, Mikhail Kostyukov, Mikhail Podvitskii, Petr Surkov, Yaroslav Golubev, Nikita Povarov, Timofey Bryksin
Abstract: In recent years, several industrial solutions for the problem of multi-token code completion appeared, each making a great advance in the area but mostly focusing on cloud-based runtime and avoiding working on the end user's device. In this work, we describe our approach for building a multi-token code completion feature for the JetBrains' IntelliJ Platform, which we call Full Line Code Completion. The feature suggests only syntactically correct code and works fully locally, i.e., data querying and the generation of suggestions happens on the end user's machine. We share important time and memory-consumption restrictions, as well as design principles that a code completion engine should satisfy. Working entirely on the end user's device, our code completion engine enriches user experience while being not only fast and compact but also secure. We share a number of useful techniques to meet the stated development constraints and also describe offline and online evaluation pipelines that allowed us to make better decisions. Our online evaluation shows that the usage of the tool leads to 1.3 times more Python code in the IDE being produced by code completion. The described solution was initially started with a help of researchers and was then bundled into all JetBrains IDEs where it is now used by millions of users. Thus, we believe that this work is useful for bridging academia and industry, providing researchers with the knowledge of what happens when complex research-based solutions are integrated into real products.
Authors: Xuemei Gu, Mario Krenn
Abstract: The rapid growth of scientific literature makes it challenging for researchers to identify novel and impactful ideas, especially across disciplines. Modern artificial intelligence (AI) systems offer new approaches, potentially inspiring ideas not conceived by humans alone. But how compelling are these AI-generated ideas, and how can we improve their quality? Here, we introduce SciMuse, which uses 58 million research papers and a large-language model to generate research ideas. We conduct a large-scale evaluation in which over 100 research group leaders -- from natural sciences to humanities -- ranked more than 4,400 personalized ideas based on their interest. This data allows us to predict research interest using (1) supervised neural networks trained on human evaluations, and (2) unsupervised zero-shot ranking with large-language models. Our results demonstrate how future systems can help generating compelling research ideas and foster unforeseen interdisciplinary collaborations.
Authors: Jesse van Remmerden, Maurice Kenter, Diederik M. Roijers, Charalampos Andriotis, Yingqian Zhang, Zaharah Bukhsh
Abstract: In this paper, we introduce Multi-Objective Deep Centralized Multi-Agent Actor-Critic (MO- DCMAC), a multi-objective reinforcement learning (MORL) method for infrastructural maintenance optimization, an area traditionally dominated by single-objective reinforcement learning (RL) approaches. Previous single-objective RL methods combine multiple objectives, such as probability of collapse and cost, into a singular reward signal through reward-shaping. In contrast, MO-DCMAC can optimize a policy for multiple objectives directly, even when the utility function is non-linear. We evaluated MO-DCMAC using two utility functions, which use probability of collapse and cost as input. The first utility function is the Threshold utility, in which MO-DCMAC should minimize cost so that the probability of collapse is never above the threshold. The second is based on the Failure Mode, Effects, and Criticality Analysis (FMECA) methodology used by asset managers to asses maintenance plans. We evaluated MO-DCMAC, with both utility functions, in multiple maintenance environments, including ones based on a case study of the historical quay walls of Amsterdam. The performance of MO-DCMAC was compared against multiple rule-based policies based on heuristics currently used for constructing maintenance plans. Our results demonstrate that MO-DCMAC outperforms traditional rule-based policies across various environments and utility functions.
Authors: Xu Han, Linghao Jin, Xuezhe Ma, Xiaofeng Liu
Abstract: Fine-tuning pre-trained Vision-Language Models (VLMs) has shown remarkable capabilities in medical image and textual depiction synergy. Nevertheless, many pre-training datasets are restricted by patient privacy concerns, potentially containing noise that can adversely affect downstream performance. Moreover, the growing reliance on multi-modal generation exacerbates this issue because of its susceptibility to adversarial attacks. To investigate how VLMs trained on adversarial noisy data perform on downstream medical tasks, we first craft noisy upstream datasets using multi-modal adversarial attacks. Through our comprehensive analysis, we unveil that moderate noise enhances model robustness and transferability, but increasing noise levels negatively impact downstream task performance. To mitigate this issue, we propose rectify adversarial noise (RAN) framework, a recipe designed to effectively defend adversarial attacks and rectify the influence of upstream noise during fine-tuning.
Authors: Sajani Vithana, Viveck R. Cadambe, Flavio P. Calmon, Haewon Jeong
Abstract: Differentially private distributed mean estimation (DP-DME) is a fundamental building block in privacy-preserving federated learning, where a central server estimates the mean of $d$-dimensional vectors held by $n$ users while ensuring $(\epsilon,\delta)$-DP. Local differential privacy (LDP) and distributed DP with secure aggregation (SA) are the most common notions of DP used in DP-DME settings with an untrusted server. LDP provides strong resilience to dropouts, colluding users, and adversarial attacks, but suffers from poor utility. In contrast, SA-based DP-DME achieves an $O(n)$ utility gain over LDP in DME, but requires increased communication and computation overheads and complex multi-round protocols to handle dropouts and attacks. In this work, we present a generalized framework for DP-DME, that captures LDP and SA-based mechanisms as extreme cases. Our framework provides a foundation for developing and analyzing a variety of DP-DME protocols that leverage correlated privacy mechanisms across users. To this end, we propose CorDP-DME, a novel DP-DME mechanism based on the correlated Gaussian mechanism, that spans the gap between DME with LDP and distributed DP. We prove that CorDP-DME offers a favorable balance between utility and resilience to dropout and collusion. We provide an information-theoretic analysis of CorDP-DME, and derive theoretical guarantees for utility under any given privacy parameters and dropout/colluding user thresholds. Our results demonstrate that (anti) correlated Gaussian DP mechanisms can significantly improve utility in mean estimation tasks compared to LDP -- even in adversarial settings -- while maintaining better resilience to dropouts and attacks compared to distributed DP.
Authors: Joshua Zhi En Tan, JunJie Wee, Xue Gong, Kelin Xia
Abstract: Recently, therapeutic peptides have demonstrated great promise for cancer treatment. To explore powerful anticancer peptides, artificial intelligence (AI)-based approaches have been developed to systematically screen potential candidates. However, the lack of efficient featurization of peptides has become a bottleneck for these machine-learning models. In this paper, we propose a topology-enhanced machine learning model (Top-ML) for anticancer peptides prediction. Our Top-ML employs peptide topological features derived from its sequence "connection" information characterized by vector and spectral descriptors. Our Top-ML model, employing an Extra-Trees classifier, has been validated on the AntiCP 2.0 and mACPpred 2.0 benchmark datasets, achieving state-of-the-art performance or results comparable to existing deep learning models, while providing greater interpretability. Our results highlight the potential of leveraging novel topology-based featurization to accelerate the identification of anticancer peptides.
Authors: Julio Candanedo
Abstract: In this work, we explore various modifications to diffusion maps (DMAP), including their incorporation into a layered sequential neural network model trained with gradient descent. The result is a sequential neural network that inherits the interpretability of diffusion maps.
Authors: Omer Regev, Omri Avrahami, Dani Lischinski
Abstract: Recent advancements in generative models have revolutionized image generation and editing, making these tasks accessible to non-experts. This paper focuses on local image editing, particularly the task of adding new content to a loosely specified area. Existing methods often require a precise mask or a detailed description of the location, which can be cumbersome and prone to errors. We propose Click2Mask, a novel approach that simplifies the local editing process by requiring only a single point of reference (in addition to the content description). A mask is dynamically grown around this point during a Blended Latent Diffusion (BLD) process, guided by a masked CLIP-based semantic loss. Click2Mask surpasses the limitations of segmentation-based and fine-tuning dependent methods, offering a more user-friendly and contextually accurate solution. Our experiments demonstrate that Click2Mask not only minimizes user effort but also enables competitive or superior local image manipulations compared to SoTA methods, according to both human judgement and automatic metrics. Key contributions include the simplification of user input, the ability to freely add objects unconstrained by existing segments, and the integration potential of our dynamic mask approach within other editing methods.
Authors: Ariel Neufeld, Tuan Anh Nguyen
Abstract: We prove that multilevel Picard approximations and deep neural networks with ReLU, leaky ReLU, and softplus activation are capable of approximating solutions of semilinear Kolmogorov PDEs in $L^\mathfrak{p}$-sense, $\mathfrak{p}\in [2,\infty)$, in the case of gradient-independent, Lipschitz-continuous nonlinearities, while the computational effort of the multilevel Picard approximations and the required number of parameters in the neural networks grow at most polynomially in both dimension $d\in \mathbb{N}$ and reciprocal of the prescribed accuracy $\epsilon$.
Authors: Enrico Ventura, Beatrice Achilli, Gianluigi Silvestri, Carlo Lucibello, Luca Ambrogioni
Abstract: In this paper, we investigate the latent geometry of generative diffusion models under the manifold hypothesis. For this purpose, we analyze the spectrum of eigenvalues (and singular values) of the Jacobian of the score function, whose discontinuities (gaps) reveal the presence and dimensionality of distinct sub-manifolds. Using a statistical physics approach, we derive the spectral distributions and formulas for the spectral gaps under several distributional assumptions, and we compare these theoretical predictions with the spectra estimated from trained networks. Our analysis reveals the existence of three distinct qualitative phases during the generative process: a trivial phase; a manifold coverage phase where the diffusion process fits the distribution internal to the manifold; a consolidation phase where the score becomes orthogonal to the manifold and all particles are projected on the support of the data. This `division of labor' between different timescales provides an elegant explanation of why generative diffusion models are not affected by the manifold overfitting phenomenon that plagues likelihood-based models, since the internal distribution and the manifold geometry are produced at different time points during generation.
Authors: Petr Tsvetkov, Aleksandra Eliseeva, Danny Dig, Alexander Bezzubov, Yaroslav Golubev, Timofey Bryksin, Yaroslav Zharov
Abstract: When a Commit Message Generation (CMG) system is integrated into the IDEs and other products at JetBrains, we perform online evaluation based on user acceptance of the generated messages. However, performing online experiments with every change to a CMG system is troublesome, as each iteration affects users and requires time to collect enough statistics. On the other hand, offline evaluation, a prevalent approach in the research literature, facilitates fast experiments but employs automatic metrics that are not guaranteed to represent the preferences of real users. In this work, we describe a novel way we employed to deal with this problem at JetBrains, by leveraging an online metric - the number of edits users introduce before committing the generated messages to the VCS - to select metrics for offline experiments. To support this new type of evaluation, we develop a novel markup collection tool mimicking the real workflow with a CMG system, collect a dataset with 57 pairs consisting of commit messages generated by GPT-4 and their counterparts edited by human experts, and design and verify a way to synthetically extend such a dataset. Then, we use the final dataset of 656 pairs to study how the widely used similarity metrics correlate with the online metric reflecting the real users' experience. Our results indicate that edit distance exhibits the highest correlation with the online metric, whereas commonly used similarity metrics such as BLEU and METEOR demonstrate low correlation. This contradicts the previous studies on similarity metrics for CMG, suggesting that user interactions with a CMG system in real-world settings differ significantly from the responses by human labelers within controlled environments. We release all the code and the dataset to support future research in the field: https://jb.gg/cmg-evaluation.
Authors: Shubham Gandhi, Manasi Patwardhan, Lovekesh Vig, Gautam Shroff
Abstract: Large Language Models (LLMs) excel in diverse applications including generation of code snippets, but often struggle with generating code for complex Machine Learning (ML) tasks. Although existing LLM single-agent based systems give varying performance depending on the task complexity, they purely rely on larger and expensive models such as GPT-4. Our investigation reveals that no-cost and low-cost models such as Gemini-Pro, Mixtral and CodeLlama perform far worse than GPT-4 in a single-agent setting. With the motivation of developing a cost-efficient LLM based solution for solving ML tasks, we propose an LLM Multi-Agent based system which leverages combination of experts using profiling, efficient retrieval of past observations, LLM cascades, and ask-the-expert calls. Through empirical analysis on ML engineering tasks in the MLAgentBench benchmark, we demonstrate the effectiveness of our system, using no-cost models, namely Gemini as the base LLM, paired with GPT-4 in cascade and expert to serve occasional ask-the-expert calls for planning. With 94.2\% reduction in the cost (from \$0.931 per run cost averaged over all tasks for GPT-4 single agent system to \$0.054), our system is able to yield better average success rate of 32.95\% as compared to GPT-4 single-agent system yielding 22.72\% success rate averaged over all the tasks of MLAgentBench.
Authors: Shravan Venkatraman, Jaskaran Singh Walia, Joe Dhanith P R
Abstract: Vision Transformers (ViTs) have redefined image classification by leveraging self-attention to capture complex patterns and long-range dependencies between image patches. However, a key challenge for ViTs is efficiently incorporating multi-scale feature representations, which is inherent in convolutional neural networks (CNNs) through their hierarchical structure. Graph transformers have made strides in addressing this by leveraging graph-based modeling, but they often lose or insufficiently represent spatial hierarchies, especially since redundant or less relevant areas dilute the image's contextual representation. To bridge this gap, we propose SAG-ViT, a Scale-Aware Graph Attention ViT that integrates multi-scale feature capabilities of CNNs, representational power of ViTs, graph-attended patching to enable richer contextual representation. Using EfficientNetV2 as a backbone, the model extracts multi-scale feature maps, dividing them into patches to preserve richer semantic information compared to directly patching the input images. The patches are structured into a graph using spatial and feature similarities, where a Graph Attention Network (GAT) refines the node embeddings. This refined graph representation is then processed by a Transformer encoder, capturing long-range dependencies and complex interactions. We evaluate SAG-ViT on benchmark datasets across various domains, validating its effectiveness in advancing image classification tasks. Our code and weights are available at https://github.com/shravan-18/SAG-ViT.
Authors: Zhichen Zeng, Xiaolong Liu, Mengyue Hang, Xiaoyi Liu, Qinghai Zhou, Chaofei Yang, Yiqun Liu, Yichen Ruan, Laming Chen, Yuxin Chen, Yujia Hao, Jiaqi Xu, Jade Nie, Xi Liu, Buyun Zhang, Wei Wen, Siyang Yuan, Kai Wang, Wen-Yen Chen, Yiping Han, Huayu Li, Chunzhi Yang, Bo Long, Philip S. Yu, Hanghang Tong, Jiyan Yang
Abstract: Click-through rate (CTR) prediction, which predicts the probability of a user clicking an ad, is a fundamental task in recommender systems. The emergence of heterogeneous information, such as user profile and behavior sequences, depicts user interests from different aspects. A mutually beneficial integration of heterogeneous information is the cornerstone towards the success of CTR prediction. However, most of the existing methods suffer from two fundamental limitations, including (1) insufficient inter-mode interaction due to the unidirectional information flow between modes, and (2) aggressive information aggregation caused by early summarization, resulting in excessive information loss. To address the above limitations, we propose a novel module named InterFormer to learn heterogeneous information interaction in an interleaving style. To achieve better interaction learning, InterFormer enables bidirectional information flow for mutually beneficial learning across different modes. To avoid aggressive information aggregation, we retain complete information in each data mode and use a separate bridging arch for effective information selection and summarization. Our proposed InterFormer achieves state-of-the-art performance on three public datasets and a large-scale industrial dataset.
Authors: Jingxu Ng, Cheng Lv, Pu Zhao, Wei Niu, Juyi Lin, Minzhou Pan, Yun Liang, Yanzhi Wang
Abstract: Stable diffusion plays a crucial role in generating high-quality images. However, image generation is time-consuming and memory-intensive. To address this, stable-diffusion.cpp (Sdcpp) emerges as an efficient inference framework to accelerate the diffusion models. Although it is lightweight, the current implementation of ggml_conv_2d operator in Sdcpp is suboptimal, exhibiting both high inference latency and massive memory usage. To address this, in this work, we present an optimized version of Sdcpp leveraging the Winograd algorithm to accelerate 2D convolution operations, which is the primary bottleneck in the pipeline. By analyzing both dependent and independent computation graphs, we exploit the device's locality and parallelism to achieve substantial performance improvements. Our framework delivers correct end-to-end results across various stable diffusion models, including SDv1.4, v1.5, v2.1, SDXL, and SDXL-Turbo. Our evaluation results demonstrate a speedup up to 2.76x for individual convolutional layers and an inference speedup up to 4.79x for the overall image generation process, compared with the original Sdcpp on M1 pro. Homepage: https://github.com/SealAILab/stable-diffusion-cpp
Authors: Hankun Kang, Jianhao Chen, Yongqi Li, Xin Miao, Mayi Xu, Ming Zhong, Yuanyuan Zhu, Tieyun Qian
Abstract: Toxicity detection is crucial for maintaining the peace of the society. While existing methods perform well on normal toxic contents or those generated by specific perturbation methods, they are vulnerable to evolving perturbation patterns. However, in real-world scenarios, malicious users tend to create new perturbation patterns for fooling the detectors. For example, some users may circumvent the detector of large language models (LLMs) by adding `I am a scientist' at the beginning of the prompt. In this paper, we introduce a novel problem, i.e., continual learning jailbreak perturbation patterns, into the toxicity detection field. To tackle this problem, we first construct a new dataset generated by 9 types of perturbation patterns, 7 of them are summarized from prior work and 2 of them are developed by us. We then systematically validate the vulnerability of current methods on this new perturbation pattern-aware dataset via both the zero-shot and fine tuned cross-pattern detection. Upon this, we present the domain incremental learning paradigm and the corresponding benchmark to ensure the detector's robustness to dynamically emerging types of perturbed toxic text. Our code and dataset are provided in the appendix and will be publicly available at GitHub, by which we wish to offer new research opportunities for the security-relevant communities.
Authors: Soroush Vahidi, Ioannis Koutis
Abstract: The Minimum Weighted Feedback Arc Set (MWFAS) problem is fundamentally connected to the Ranking Problem -- the task of deriving global rankings from pairwise comparisons. Recent work [He et al. ICML2022] has advanced the state-of-the-art for the Ranking Problem using learning-based methods, improving upon multiple previous approaches. However, the connection to MWFAS remains underexplored. This paper investigates this relationship and presents efficient combinatorial algorithms for solving MWFAS, thus addressing the Ranking Problem. Our experimental results demonstrate that these simple, learning-free algorithms not only significantly outperform learning-based methods in terms of speed but also generally achieve superior ranking accuracy.
Authors: Michele Caselle, Elia Cellini, Alessandro Nada
Abstract: Effective String Theory (EST) is a powerful tool used to study confinement in pure gauge theories by modeling the confining flux tube connecting a static quark-anti-quark pair as a thin vibrating string. Recently, flow-based samplers have been applied as an efficient numerical method to study EST regularized on the lattice, opening the route to study observables previously inaccessible to standard analytical methods. Flow-based samplers are a class of algorithms based on Normalizing Flows (NFs), deep generative models recently proposed as a promising alternative to traditional Markov Chain Monte Carlo methods in lattice field theory calculations. By combining NF layers with out-of-equilibrium stochastic updates, we obtain Stochastic Normalizing Flows (SNFs), a scalable class of machine learning algorithms that can be explained in terms of stochastic thermodynamics. In this contribution, we outline EST and SNFs, and report some numerical results for the shape of the flux tube.
Authors: Haoyu Han, Yu Wang, Harry Shomer, Kai Guo, Jiayuan Ding, Yongjia Lei, Mahantesh Halappanavar, Ryan A. Rossi, Subhabrata Mukherjee, Xianfeng Tang, Qi He, Zhigang Hua, Bo Long, Tong Zhao, Neil Shah, Amin Javari, Yinglong Xia, Jiliang Tang
Abstract: Retrieval-augmented generation (RAG) is a powerful technique that enhances downstream task execution by retrieving additional information, such as knowledge, skills, and tools from external sources. Graph, by its intrinsic "nodes connected by edges" nature, encodes massive heterogeneous and relational information, making it a golden resource for RAG in tremendous real-world applications. As a result, we have recently witnessed increasing attention on equipping RAG with Graph, i.e., GraphRAG. However, unlike conventional RAG, where the retriever, generator, and external data sources can be uniformly designed in the neural-embedding space, the uniqueness of graph-structured data, such as diverse-formatted and domain-specific relational knowledge, poses unique and significant challenges when designing GraphRAG for different domains. Given the broad applicability, the associated design challenges, and the recent surge in GraphRAG, a systematic and up-to-date survey of its key concepts and techniques is urgently desired. Following this motivation, we present a comprehensive and up-to-date survey on GraphRAG. Our survey first proposes a holistic GraphRAG framework by defining its key components, including query processor, retriever, organizer, generator, and data source. Furthermore, recognizing that graphs in different domains exhibit distinct relational patterns and require dedicated designs, we review GraphRAG techniques uniquely tailored to each domain. Finally, we discuss research challenges and brainstorm directions to inspire cross-disciplinary opportunities. Our survey repository is publicly maintained at https://github.com/Graph-RAG/GraphRAG/.
Authors: Yuqian Yuan, Hang Zhang, Wentong Li, Zesen Cheng, Boqiang Zhang, Long Li, Xin Li, Deli Zhao, Wenqiao Zhang, Yueting Zhuang, Jianke Zhu, Lidong Bing
Abstract: Video Large Language Models (Video LLMs) have recently exhibited remarkable capabilities in general video understanding. However, they mainly focus on holistic comprehension and struggle with capturing fine-grained spatial and temporal details. Besides, the lack of high-quality object-level video instruction data and a comprehensive benchmark further hinders their advancements. To tackle these challenges, we introduce the VideoRefer Suite to empower Video LLM for finer-level spatial-temporal video understanding, i.e., enabling perception and reasoning on any objects throughout the video. Specially, we thoroughly develop VideoRefer Suite across three essential aspects: dataset, model, and benchmark. Firstly, we introduce a multi-agent data engine to meticulously curate a large-scale, high-quality object-level video instruction dataset, termed VideoRefer-700K. Next, we present the VideoRefer model, which equips a versatile spatial-temporal object encoder to capture precise regional and sequential representations. Finally, we meticulously create a VideoRefer-Bench to comprehensively assess the spatial-temporal understanding capability of a Video LLM, evaluating it across various aspects. Extensive experiments and analyses demonstrate that our VideoRefer model not only achieves promising performance on video referring benchmarks but also facilitates general video understanding capabilities.
Authors: Victor Nascimento Ribeiro, Nina S. T. Hirata
Abstract: Automatic License Plate Recognition (ALPR) involves extracting vehicle license plate information from image or a video capture. These systems have gained popularity due to the wide availability of low-cost surveillance cameras and advances in Deep Learning. Typically, video-based ALPR systems rely on multiple frames to detect the vehicle and recognize the license plates. Therefore, we propose a system capable of extracting exactly one frame per vehicle and recognizing its license plate characters from this singular image using an Optical Character Recognition (OCR) model. Early experiments show that this methodology is viable.
Authors: Hongzhe Zhang, Arnab Auddy, Hongzhe Lee
Abstract: Linear discriminant analysis is a widely used method for classification. However, the high dimensionality of predictors combined with small sample sizes often results in large classification errors. To address this challenge, it is crucial to leverage data from related source models to enhance the classification performance of a target model. We propose to address this problem in the framework of transfer learning. In this paper, we present novel transfer learning methods via regularized random-effects linear discriminant analysis, where the discriminant direction is estimated as a weighted combination of ridge estimates obtained from both the target and source models. Multiple strategies for determining these weights are introduced and evaluated, including one that minimizes the estimation risk of the discriminant vector and another that minimizes the classification error. Utilizing results from random matrix theory, we explicitly derive the asymptotic values of these weights and the associated classification error rates in the high-dimensional setting, where $p/n \rightarrow \gamma$, with $p$ representing the predictor dimension and $n$ the sample size. We also provide geometric interpretations of various weights and a guidance on which weights to choose. Extensive numerical studies, including simulations and analysis of proteomics-based 10-year cardiovascular disease risk classification, demonstrate the effectiveness of the proposed approach.
Authors: Niloufar Eghbali, Hassan Bagher-Ebadian, Tuka Alhanai, Mohammad M. Ghassemi
Abstract: Vision Transformers (ViTs) have shown promise in medical image semantic segmentation (MISS) by capturing long-range correlations. However, ViTs often struggle to model local spatial information effectively, which is essential for accurately segmenting fine anatomical details, particularly when applied to small datasets without extensive pre-training. We introduce Gabor and Laplacian of Gaussian Convolutional Swin Network (GLoG-CSUnet), a novel architecture enhancing Transformer-based models by incorporating learnable radiomic features. This approach integrates dynamically adaptive Gabor and Laplacian of Gaussian (LoG) filters to capture texture, edge, and boundary information, enhancing the feature representation processed by the Transformer model. Our method uniquely combines the long-range dependency modeling of Transformers with the texture analysis capabilities of Gabor and LoG features. Evaluated on the Synapse multi-organ and ACDC cardiac segmentation datasets, GLoG-CSUnet demonstrates significant improvements over state-of-the-art models, achieving a 1.14% increase in Dice score for Synapse and 0.99% for ACDC, with minimal computational overhead (only 15 and 30 additional parameters, respectively). GLoG-CSUnet's flexible design allows integration with various base models, offering a promising approach for incorporating radiomics-inspired feature extraction in Transformer architectures for medical image analysis. The code implementation is available on GitHub at: https://github.com/HAAIL/GLoG-CSUnet.
Authors: Zhongjian Zhang, Mengmei Zhang, Xiao Wang, Lingjuan Lyu, Bo Yan, Junping Du, Chuan Shi
Abstract: To preserve user privacy in recommender systems, federated recommendation (FR) based on federated learning (FL) emerges, keeping the personal data on the local client and updating a model collaboratively. Unlike FL, FR has a unique sparse aggregation mechanism, where the embedding of each item is updated by only partial clients, instead of full clients in a dense aggregation of general FL. Recently, as an essential principle of FL, model security has received increasing attention, especially for Byzantine attacks, where malicious clients can send arbitrary updates. The problem of exploring the Byzantine robustness of FR is particularly critical since in the domains applying FR, e.g., e-commerce, malicious clients can be injected easily by registering new accounts. However, existing Byzantine works neglect the unique sparse aggregation of FR, making them unsuitable for our problem. Thus, we make the first effort to investigate Byzantine attacks on FR from the perspective of sparse aggregation, which is non-trivial: it is not clear how to define Byzantine robustness under sparse aggregations and design Byzantine attacks under limited knowledge/capability. In this paper, we reformulate the Byzantine robustness under sparse aggregation by defining the aggregation for a single item as the smallest execution unit. Then we propose a family of effective attack strategies, named Spattack, which exploit the vulnerability in sparse aggregation and are categorized along the adversary's knowledge and capability. Extensive experimental results demonstrate that Spattack can effectively prevent convergence and even break down defenses under a few malicious clients, raising alarms for securing FR systems.
Authors: Evgenii Kruzhkov, Sven Behnke
Abstract: One of the current trends in robotics is to employ large language models (LLMs) to provide non-predefined command execution and natural human-robot interaction. It is useful to have an environment map together with its language representation, which can be further utilized by LLMs. Such a comprehensive scene representation enables numerous ways of interaction with the map for autonomously operating robots. In this work, we present an approach that enhances incremental implicit mapping through the integration of vision-language features. Specifically, we (i) propose a decoder optimization technique for implicit language maps which can be used when new objects appear on the scene, and (ii) address the problem of inconsistent vision-language predictions between different viewing positions. Our experiments demonstrate the effectiveness of LiLMaps and solid improvements in performance.