Authors: S. Zhang, S. Wang, H. Miao, H. Chen, C. Fan, J. Zhang
Abstract: Multivariant time series (MTS) data are usually incomplete in real scenarios, and imputing the incomplete MTS is practically important to facilitate various time series mining tasks. Recently, diffusion model-based MTS imputation methods have achieved promising results by utilizing CNN or attention mechanisms for temporal feature learning. However, it is hard to adaptively trade off the diverse effects of local and global temporal features by simply combining CNN and attention. To address this issue, we propose a Score-weighted Convolutional Diffusion Model (Score-CDM for short), whose backbone consists of a Score-weighted Convolution Module (SCM) and an Adaptive Reception Module (ARM). SCM adopts a score map to capture the global temporal features in the time domain, while ARM uses a Spectral2Time Window Block (S2TWB) to convolve the local time series data in the spectral domain. Benefiting from the time convolution properties of Fast Fourier Transformation, ARM can adaptively change the receptive field of the score map, and thus effectively balance the local and global temporal features. We conduct extensive evaluations on three real MTS datasets of different domains, and the result verifies the effectiveness of the proposed Score-CDM.
Authors: Xin-Chun Li, Wen-Shu Fan, Bowen Tao, Le Gan, De-Chuan Zhan
Abstract: Knowledge Distillation (KD) could transfer the ``dark knowledge" of a well-performed yet large neural network to a weaker but lightweight one. From the view of output logits and softened probabilities, this paper goes deeper into the dark knowledge provided by teachers with different capacities. Two fundamental observations are: (1) a larger teacher tends to produce probability vectors that are less distinct between non-ground-truth classes; (2) teachers with different capacities are basically consistent in their cognition of relative class affinity. Abundant experimental studies verify these observations and in-depth empirical explanations are provided. The difference in dark knowledge leads to the peculiar phenomenon named ``capacity mismatch" that a more accurate teacher does not necessarily perform as well as a smaller teacher when teaching the same student network. Enlarging the distinctness between non-ground-truth class probabilities for larger teachers could address the capacity mismatch problem. This paper explores multiple simple yet effective ways to achieve this goal and verify their success by comparing them with popular KD methods that solve the capacity mismatch.
Authors: Haocong Rao, Minlin Zeng, Xuejiao Zhao, Chunyan Miao
Abstract: Recent years have witnessed an increasing global population affected by neurodegenerative diseases (NDs), which traditionally require extensive healthcare resources and human effort for medical diagnosis and monitoring. As a crucial disease-related motor symptom, human gait can be exploited to characterize different NDs. The current advances in artificial intelligence (AI) models enable automatic gait analysis for NDs identification and classification, opening a new avenue to facilitate faster and more cost-effective diagnosis of NDs. In this paper, we provide a comprehensive survey on recent progress of machine learning and deep learning based AI techniques applied to diagnosis of five typical NDs through gait. We provide an overview of the process of AI-assisted NDs diagnosis, and present a systematic taxonomy of existing gait data and AI models. Through an extensive review and analysis of 164 studies, we identify and discuss the challenges, potential solutions, and future directions in this field. Finally, we envision the prospective utilization of 3D skeleton data for human gait representation and the development of more efficient AI models for NDs diagnosis. We provide a public resource repository to track and facilitate developments in this emerging field: https://github.com/Kali-Hac/AI4NDD-Survey.
Authors: Carla Fabiana Chiasserini, Francesco Malandrino, Nuria Molner, Zhiqiang Zhao
Abstract: Pruning neural networks, i.e., removing some of their parameters whilst retaining their accuracy, is one of the main ways to reduce the latency of a machine learning pipeline, especially in resource- and/or bandwidth-constrained scenarios. In this context, the pruning technique, i.e., how to choose the parameters to remove, is critical to the system performance. In this paper, we propose a novel pruning approach, called FlexRel and predicated upon combining training-time and inference-time information, namely, parameter magnitude and relevance, in order to improve the resulting accuracy whilst saving both computational resources and bandwidth. Our performance evaluation shows that FlexRel is able to achieve higher pruning factors, saving over 35% bandwidth for typical accuracy targets.
Authors: Xiaohua Pan, Weifeng Wu, Peiran Liu, Zhen Li, Peng Lu, Peijian Cao, Jianfeng Zhang, Xianfei Qiu, YangYang Wu
Abstract: In many practical real-world applications, data missing is a very common phenomenon, making the development of data-driven artificial intelligence theory and technology increasingly difficult. Data completion is an important method for missing data preprocessing. Most existing miss-ing data completion models directly use the known information in the missing data set but ignore the impact of the data label information contained in the data set on the missing data completion model. To this end, this paper proposes a missing data completion model SEGAN based on semi-supervised learning, which mainly includes three important modules: generator, discriminator and classifier. In the SEGAN model, the classifier enables the generator to make more full use of known data and its label information when predicting missing data values. In addition, the SE-GAN model introduces a missing hint matrix to allow the discriminator to more effectively distinguish between known data and data filled by the generator. This paper theoretically proves that the SEGAN model that introduces a classifier and a missing hint matrix can learn the real known data distribution characteristics when reaching Nash equilibrium. Finally, a large number of experiments were conducted in this article, and the experimental results show that com-pared with the current state-of-the-art multivariate data completion method, the performance of the SEGAN model is improved by more than 3%.
Authors: Kaiyuan Li, Yihan Zhang, Xinlei Chen
Abstract: Mobile devices and the Internet of Things (IoT) devices nowadays generate a large amount of heterogeneous spatial-temporal data. It remains a challenging problem to model the spatial-temporal dynamics under privacy concern. Federated learning (FL) has been proposed as a framework to enable model training across distributed devices without sharing original data which reduce privacy concern. Personalized federated learning (PFL) methods further address data heterogenous problem. However, these methods don't consider natural spatial relations among nodes. For the sake of modeling spatial relations, Graph Neural Netowork (GNN) based FL approach have been proposed. But dynamic spatial-temporal relations among edge nodes are not taken into account. Several approaches model spatial-temporal dynamics in a centralized environment, while less effort has been made under federated setting. To overcome these challeges, we propose a novel Federated Adaptive Spatial-Temporal Attention (FedASTA) framework to model the dynamic spatial-temporal relations. On the client node, FedASTA extracts temporal relations and trend patterns from the decomposed terms of original time series. Then, on the server node, FedASTA utilize trend patterns from clients to construct adaptive temporal-spatial aware graph which captures dynamic correlation between clients. Besides, we design a masked spatial attention module with both static graph and constructed adaptive graph to model spatial dependencies among clients. Extensive experiments on five real-world public traffic flow datasets demonstrate that our method achieves state-of-art performance in federated scenario. In addition, the experiments made in centralized setting show the effectiveness of our novel adaptive graph construction approach compared with other popular dynamic spatial-temporal aware methods.
Authors: Alicia Tierz, Iciar Alfaro, David Gonz\'alez, Francisco Chinesta, El\'ias Cueto
Abstract: Thermodynamics-informed neural networks employ inductive biases for the enforcement of the first and second principles of thermodynamics. To construct these biases, a metriplectic evolution of the system is assumed. This provides excellent results, when compared to uninformed, black box networks. While the degree of accuracy can be increased in one or two orders of magnitude, in the case of graph networks, this requires assembling global Poisson and dissipation matrices, which breaks the local structure of such networks. In order to avoid this drawback, a local version of the metriplectic biases has been developed in this work, which avoids the aforementioned matrix assembly, thus preserving the node-by-node structure of the graph networks. We apply this framework for examples in the fields of solid and fluid mechanics. Our approach demonstrates significant computational efficiency and strong generalization capabilities, accurately making inferences on examples significantly different from those encountered during training.
Authors: Michael Lu, Matin Aghaei, Anant Raj, Sharan Vaswani
Abstract: We consider (stochastic) softmax policy gradient (PG) methods for bandits and tabular Markov decision processes (MDPs). While the PG objective is non-concave, recent research has used the objective's smoothness and gradient domination properties to achieve convergence to an optimal policy. However, these theoretical results require setting the algorithm parameters according to unknown problem-dependent quantities (e.g. the optimal action or the true reward vector in a bandit problem). To address this issue, we borrow ideas from the optimization literature to design practical, principled PG methods in both the exact and stochastic settings. In the exact setting, we employ an Armijo line-search to set the step-size for softmax PG and empirically demonstrate a linear convergence rate. In the stochastic setting, we utilize exponentially decreasing step-sizes, and characterize the convergence rate of the resulting algorithm. We show that the proposed algorithm offers similar theoretical guarantees as the state-of-the art results, but does not require the knowledge of oracle-like quantities. For the multi-armed bandit setting, our techniques result in a theoretically-principled PG algorithm that does not require explicit exploration, the knowledge of the reward gap, the reward distributions, or the noise. Finally, we empirically compare the proposed methods to PG approaches that require oracle knowledge, and demonstrate competitive performance.
Authors: Louis Leconte, Lisa Bedin, Van Minh Nguyen, Eric Moulines
Abstract: We introduce ReALLM, a novel approach for compression and memory-efficient adaptation of pre-trained language models that encompasses most of the post-training quantization and fine-tuning methods for a budget of <4 bits. Pre-trained matrices are decomposed into a high-precision low-rank component and a vector-quantized latent representation (using an autoencoder). During the fine-tuning step, only the low-rank components are updated. Our results show that pre-trained matrices exhibit different patterns. ReALLM adapts the shape of the encoder (small/large embedding, high/low bit VQ, etc.) to each matrix. ReALLM proposes to represent each matrix with a small embedding on $b$ bits and a neural decoder model $\mathcal{D}_\phi$ with its weights on $b_\phi$ bits. The decompression of a matrix requires only one embedding and a single forward pass with the decoder. Our weight-only quantization algorithm yields the best results on language generation tasks (C4 and WikiText-2) for a budget of $3$ bits without any training. With a budget of $2$ bits, ReALLM achieves state-of-the art performance after fine-tuning on a small calibration dataset.
Authors: Biplob Biswas, Rajiv Ramnath
Abstract: Expansion-enhanced sparse lexical representation improves information retrieval (IR) by minimizing vocabulary mismatch problems during lexical matching. In this paper, we explore the potential of jointly learning dense semantic representation and combining it with the lexical one for ranking candidate information. We present a hybrid information retrieval mechanism that maximizes lexical and semantic matching while minimizing their shortcomings. Our architecture consists of dual hybrid encoders that independently encode queries and information elements. Each encoder jointly learns a dense semantic representation and a sparse lexical representation augmented by a learnable term expansion of the corresponding text through contrastive learning. We demonstrate the efficacy of our model in single-stage ranking of a benchmark product question-answering dataset containing the typical heterogeneous information available on online product pages. Our evaluation demonstrates that our hybrid approach outperforms independently trained retrievers by 10.95% (sparse) and 2.7% (dense) in MRR@5 score. Moreover, our model offers better interpretability and performs comparably to state-of-the-art cross encoders while reducing response time by 30% (latency) and cutting computational load by approximately 38% (FLOPs).
Authors: Sandra Zilker, Sven Weinzierl, Mathias Kraus, Patrick Zschech, Martin Matzner
Abstract: Proactive analysis of patient pathways helps healthcare providers anticipate treatment-related risks, identify outcomes, and allocate resources. Machine learning (ML) can leverage a patient's complete health history to make informed decisions about future events. However, previous work has mostly relied on so-called black-box models, which are unintelligible to humans, making it difficult for clinicians to apply such models. Our work introduces PatWay-Net, an ML framework designed for interpretable predictions of admission to the intensive care unit (ICU) for patients with symptoms of sepsis. We propose a novel type of recurrent neural network and combine it with multi-layer perceptrons to process the patient pathways and produce predictive yet interpretable results. We demonstrate its utility through a comprehensive dashboard that visualizes patient health trajectories, predictive outcomes, and associated risks. Our evaluation includes both predictive performance - where PatWay-Net outperforms standard models such as decision trees, random forests, and gradient-boosted decision trees - and clinical utility, validated through structured interviews with clinicians. By providing improved predictive accuracy along with interpretable and actionable insights, PatWay-Net serves as a valuable tool for healthcare decision support in the critical case of patients with symptoms of sepsis.
Authors: Haoteng Tang, Guodong Liu, Siyuan Dai, Kai Ye, Kun Zhao, Wenlu Wang, Carl Yang, Lifang He, Alex Leow, Paul Thompson, Heng Huang, Liang Zhan
Abstract: The MRI-derived brain network serves as a pivotal instrument in elucidating both the structural and functional aspects of the brain, encompassing the ramifications of diseases and developmental processes. However, prevailing methodologies, often focusing on synchronous BOLD signals from functional MRI (fMRI), may not capture directional influences among brain regions and rarely tackle temporal functional dynamics. In this study, we first construct the brain-effective network via the dynamic causal model. Subsequently, we introduce an interpretable graph learning framework termed Spatio-Temporal Embedding ODE (STE-ODE). This framework incorporates specifically designed directed node embedding layers, aiming at capturing the dynamic interplay between structural and effective networks via an ordinary differential equation (ODE) model, which characterizes spatial-temporal brain dynamics. Our framework is validated on several clinical phenotype prediction tasks using two independent publicly available datasets (HCP and OASIS). The experimental results clearly demonstrate the advantages of our model compared to several state-of-the-art methods.
Authors: Djalel Benbouzid, Christiane Plociennik, Laura Lucaj, Mihai Maftei, Iris Merget, Aljoscha Burchardt, Marc P. Hauer, Abdeldjallil Naceri, Patrick van der Smagt
Abstract: The growing adoption and deployment of Machine Learning (ML) systems came with its share of ethical incidents and societal concerns. It also unveiled the necessity to properly audit these systems in light of ethical principles. For such a novel type of algorithmic auditing to become standard practice, two main prerequisites need to be available: A lifecycle model that is tailored towards transparency and accountability, and a principled risk assessment procedure that allows the proper scoping of the audit. Aiming to make a pragmatic step towards a wider adoption of ML auditing, we present a respective procedure that extends the AI-HLEG guidelines published by the European Commission. Our audit procedure is based on an ML lifecycle model that explicitly focuses on documentation, accountability, and quality assurance; and serves as a common ground for alignment between the auditors and the audited organisation. We describe two pilots conducted on real-world use cases from two different organisations and discuss the shortcomings of ML algorithmic auditing as well as future directions thereof.
Authors: Victor Kolev, Rafael Rafailov, Kyle Hatch, Jiajun Wu, Chelsea Finn
Abstract: We tackle the problem of policy learning from expert demonstrations without a reward function. A central challenge in this space is that these policies fail upon deployment due to issues of distributional shift, environment stochasticity, or compounding errors. Adversarial imitation learning alleviates this issue but requires additional on-policy training samples for stability, which presents a challenge in realistic domains due to inefficient learning and high sample complexity. One approach to this issue is to learn a world model of the environment, and use synthetic data for policy training. While successful in prior works, we argue that this is sub-optimal due to additional distribution shifts between the learned model and the real environment. Instead, we re-frame imitation learning as a fine-tuning problem, rather than a pure reinforcement learning one. Drawing theoretical connections to offline RL and fine-tuning algorithms, we argue that standard online world model algorithms are not well suited to the imitation learning problem. We derive a principled conservative optimization bound and demonstrate empirically that it leads to improved performance on two very challenging manipulation environments from high-dimensional raw pixel observations. We set a new state-of-the-art performance on the Franka Kitchen environment from images, requiring only 10 demos on no reward labels, as well as solving a complex dexterity manipulation task.
Authors: Garrett Tanzer, Gustaf Ahdritz, Luke Melas-Kyriazi
Abstract: Chatbots built upon language models have exploded in popularity, but they have largely been limited to synchronous, turn-by-turn dialogues. In this paper we present a simple yet general method to simulate real-time interactive conversations using pretrained text-only language models, by modeling timed diarized transcripts and decoding them with causal rejection sampling. We demonstrate the promise of this method with two case studies: instant messenger dialogues and spoken conversations, which require generation at about 30 tok/s and 20 tok/s respectively to maintain real-time interactivity. These capabilities can be added into language models using relatively little data and run on commodity hardware.
Authors: Amutheezan Sivagnanam, Ava Pettet, Hunter Lee, Ayan Mukhopadhyay, Abhishek Dubey, Aron Laszka
Abstract: An emergency responder management (ERM) system dispatches responders, such as ambulances, when it receives requests for medical aid. ERM systems can also proactively reposition responders between predesignated waiting locations to cover any gaps that arise due to the prior dispatch of responders or significant changes in the distribution of anticipated requests. Optimal repositioning is computationally challenging due to the exponential number of ways to allocate responders between locations and the uncertainty in future requests. The state-of-the-art approach in proactive repositioning is a hierarchical approach based on spatial decomposition and online Monte Carlo tree search, which may require minutes of computation for each decision in a domain where seconds can save lives. We address the issue of long decision times by introducing a novel reinforcement learning (RL) approach, based on the same hierarchical decomposition, but replacing online search with learning. To address the computational challenges posed by large, variable-dimensional, and discrete state and action spaces, we propose: (1) actor-critic based agents that incorporate transformers to handle variable-dimensional states and actions, (2) projections to fixed-dimensional observations to handle complex states, and (3) combinatorial techniques to map continuous actions to discrete allocations. We evaluate our approach using real-world data from two U.S. cities, Nashville, TN and Seattle, WA. Our experiments show that compared to the state of the art, our approach reduces computation time per decision by three orders of magnitude, while also slightly reducing average ambulance response time by 5 seconds.
Authors: Peter Bajcsy, Maxime Bros
Abstract: This work addresses the problem of planting and defending cryptographic-based backdoors in artificial intelligence (AI) models. The motivation comes from our lack of understanding and the implications of using cryptographic techniques for planting undetectable backdoors under theoretical assumptions in the large AI model systems deployed in practice. Our approach is based on designing a web-based simulation playground that enables planting, activating, and defending cryptographic backdoors in neural networks (NN). Simulations of planting and activating backdoors are enabled for two scenarios: in the extension of NN model architecture to support digital signature verification and in the modified architectural block for non-linear operators. Simulations of backdoor defense against backdoors are available based on proximity analysis and provide a playground for a game of planting and defending against backdoors. The simulations are available at https://pages.nist.gov/nn-calculator
Authors: Matthias Chung, Emma Hart, Julianne Chung, Bas Peters, Eldad Haber
Abstract: We consider the solution of nonlinear inverse problems where the forward problem is a discretization of a partial differential equation. Such problems are notoriously difficult to solve in practice and require minimizing a combination of a data-fit term and a regularization term. The main computational bottleneck of typical algorithms is the direct estimation of the data misfit. Therefore, likelihood-free approaches have become appealing alternatives. Nonetheless, difficulties in generalization and limitations in accuracy have hindered their broader utility and applicability. In this work, we use a paired autoencoder framework as a likelihood-free estimator for inverse problems. We show that the use of such an architecture allows us to construct a solution efficiently and to overcome some known open problems when using likelihood-free estimators. In particular, our framework can assess the quality of the solution and improve on it if needed. We demonstrate the viability of our approach using examples from full waveform inversion and inverse electromagnetic imaging.
Authors: Xinhao Yang, Zhen Han, Xiaodong Lu, Yuan Zhang
Abstract: With rapid urbanisation and the accompanying increase in traffic density, traffic noise has become a major concern in urban planning. However, traditional grid noise mapping methods have limitations in terms of time consumption, software costs, and a lack of parameter integration interfaces. These limitations hinder their ability to meet the need for iterative updates and rapid performance feedback in the early design stages of street-scale urban planning. Herein, we developed a rapid urban traffic noise mapping technique that leverages generative adversarial networks (GANs) as a surrogate model. This approach enables the rapid assessment of urban traffic noise distribution by using urban elements such as roads and buildings as the input. The mean values for the mean squared error (MSE) and structural similarity index (SSIM) are 0.0949 and 0.8528, respectively, for the validation dataset. Hence, our prediction accuracy is on par with that of conventional prediction software. Furthermore, the trained model is integrated into Grasshopper as a tool, facilitating the rapid generation of traffic noise maps. This integration allows urban designers and planners, even those without expertise in acoustics, to easily anticipate changes in acoustics impacts caused by design.
Authors: Sepehr Sharifi, Andrea Stocco, Lionel C. Briand
Abstract: In learning-enabled autonomous systems, safety monitoring of learned components is crucial to ensure their outputs do not lead to system safety violations, given the operational context of the system. However, developing a safety monitor for practical deployment in real-world applications is challenging. This is due to limited access to internal workings and training data of the learned component. Furthermore, safety monitors should predict safety violations with low latency, while consuming a reasonable amount of computation. To address the challenges, we propose a safety monitoring method based on probabilistic time series forecasting. Given the learned component outputs and an operational context, we empirically investigate different Deep Learning (DL)-based probabilistic forecasting to predict the objective measure capturing the satisfaction or violation of a safety requirement (safety metric). We empirically evaluate safety metric and violation prediction accuracy, and inference latency and resource usage of four state-of-the-art models, with varying horizons, using an autonomous aviation case study. Our results suggest that probabilistic forecasting of safety metrics, given learned component outputs and scenarios, is effective for safety monitoring. Furthermore, for the autonomous aviation case study, Temporal Fusion Transformer (TFT) was the most accurate model for predicting imminent safety violations, with acceptable latency and resource consumption.
Authors: Osman Tursun, Sinan Kalkan, Simon Denman, Sridha Sridharan, Clinton Fookes
Abstract: Heatmaps have been instrumental in helping understand deep network decisions, and are a common approach for Explainable AI (XAI). While significant progress has been made in enhancing the informativeness and accessibility of heatmaps, heatmap analysis is typically very subjective and limited to domain experts. As such, developing automatic, scalable, and numerical analysis methods to make heatmap-based XAI more objective, end-user friendly, and cost-effective is vital. In addition, there is a need for comprehensive evaluation metrics to assess heatmap quality at a granular level.
Authors: Haosen Ge, Hamsa Bastani, Osbert Bastani
Abstract: Conformal prediction has emerged as an effective strategy for uncertainty quantification by modifying a model to output sets of labels instead of a single label. These prediction sets come with the guarantee that they contain the true label with high probability. However, conformal prediction typically requires a large calibration dataset of i.i.d. examples. We consider the online learning setting, where examples arrive over time, and the goal is to construct prediction sets dynamically. Departing from existing work, we assume semi-bandit feedback, where we only observe the true label if it is contained in the prediction set. For instance, consider calibrating a document retrieval model to a new domain; in this setting, a user would only be able to provide the true label if the target document is in the prediction set of retrieved documents. We propose a novel conformal prediction algorithm targeted at this setting, and prove that it obtains sublinear regret compared to the optimal conformal predictor. We evaluate our algorithm on a retrieval task and an image classification task, and demonstrate that it empirically achieves good performance.
Authors: Ryoya Yamasaki, Toshiyuki Tanaka
Abstract: Threshold methods are popular for ordinal regression problems, which are classification problems for data with a natural ordinal relation. They learn a one-dimensional transformation (1DT) of observations of the explanatory variable, and then assign label predictions to the observations by thresholding their 1DT values. In this paper, we study the influence of the underlying data distribution and of the learning procedure of the 1DT on the classification performance of the threshold method via theoretical considerations and numerical experiments. Consequently, for example, we found that threshold methods based on typical learning procedures may perform poorly when the probability distribution of the target variable conditioned on an observation of the explanatory variable tends to be non-unimodal. Another instance of our findings is that learned 1DT values are concentrated at a few points under the learning procedure based on a piecewise-linear loss function, which can make difficult to classify data well.
Authors: Cangqing Wang, Mingxiu Sui, Dan Sun, Zecheng Zhang, Yan Zhou
Abstract: This research delves deeply into Meta Reinforcement Learning (Meta RL) through a exploration focusing on defining generalization limits and ensuring convergence. By employing a approach this article introduces an innovative theoretical framework to meticulously assess the effectiveness and performance of Meta RL algorithms. We present an explanation of generalization limits measuring how well these algorithms can adapt to learning tasks while maintaining consistent results. Our analysis delves into the factors that impact the adaptability of Meta RL revealing the relationship, between algorithm design and task complexity. Additionally we establish convergence assurances by proving conditions under which Meta RL strategies are guaranteed to converge towards solutions. We examine the convergence behaviors of Meta RL algorithms across scenarios providing a comprehensive understanding of the driving forces behind their long term performance. This exploration covers both convergence and real time efficiency offering a perspective, on the capabilities of these algorithms.
Authors: Ruiqi Li, Maowei Jiang, Kai Wang, Kaiduo Feng, Quangao Liu, Yue Sun, Xiufang Zhou
Abstract: Time Series Forecasting plays a crucial role in various fields such as industrial equipment maintenance, meteorology, energy consumption, traffic flow and financial investment. However, despite their considerable advantages over traditional statistical approaches, current deep learning-based predictive models often exhibit a significant deviation between their forecasting outcomes and the ground truth. This discrepancy is largely due to an insufficient emphasis on extracting the sequence's latent information, particularly its global information within the frequency domain and the relationship between different variables. To address this issue, we propose a novel model Frequency-domain Attention In Two Horizons, which decomposes time series into trend and seasonal components using a multi-scale sequence adaptive decomposition and fusion architecture, and processes them separately. FAITH utilizes Frequency Channel feature Extraction Module and Frequency Temporal feature Extraction Module to capture inter-channel relationships and temporal global information in the sequence, significantly improving its ability to handle long-term dependencies and complex patterns. Furthermore, FAITH achieves theoretically linear complexity by modifying the time-frequency domain transformation method, effectively reducing computational costs. Extensive experiments on 6 benchmarks for long-term forecasting and 3 benchmarks for short-term forecasting demonstrate that FAITH outperforms existing models in many fields, such as electricity, weather and traffic, proving its effectiveness and superiority both in long-term and short-term time series forecasting tasks. Our codes and data are available at https://github.com/LRQ577/FAITH.
Authors: Shayan Mohajer Hamidi, Linfeng Ye
Abstract: Adversarial training (AT) is a popular method for training robust deep neural networks (DNNs) against adversarial attacks. Yet, AT suffers from two shortcomings: (i) the robustness of DNNs trained by AT is highly intertwined with the size of the DNNs, posing challenges in achieving robustness in smaller models; and (ii) the adversarial samples employed during the AT process exhibit poor generalization, leaving DNNs vulnerable to unforeseen attack types. To address these dual challenges, this paper introduces adversarial training via adaptive knowledge amalgamation of an ensemble of teachers (AT-AKA). In particular, we generate a diverse set of adversarial samples as the inputs to an ensemble of teachers; and then, we adaptively amalgamate the logtis of these teachers to train a generalized-robust student. Through comprehensive experiments, we illustrate the superior efficacy of AT-AKA over existing AT methods and adversarial robustness distillation techniques against cutting-edge attacks, including AutoAttack.
Authors: Abdullah M. Zyarah, Dhireesha Kudithipudi
Abstract: Pushing the frontiers of time-series information processing in ever-growing edge devices with stringent resources has been impeded by the system's ability to process information and learn locally on the device. Local processing and learning typically demand intensive computations and massive storage as the process involves retrieving information and tuning hundreds of parameters back in time. In this work, we developed a memristor-based echo state network accelerator that features efficient temporal data processing and in-situ online learning. The proposed design is benchmarked using various datasets involving real-world tasks, such as forecasting the load energy consumption and weather conditions. The experimental results illustrate that the hardware model experiences a marginal degradation (~4.8%) in performance as compared to the software model. This is mainly attributed to the limited precision and dynamic range of network parameters when emulated using memristor devices. The proposed system is evaluated for lifespan, robustness, and energy-delay product. It is observed that the system demonstrates a reasonable robustness for device failure below 10%, which may occur due to stuck-at faults. Furthermore, 246X reduction in energy consumption is achieved when compared to a custom CMOS digital design implemented at the same technology node.
Authors: Pablo Rivas, Tomas Cerny, Alejandro Rodriguez Perez, Javier Turek, Laurie Giddens, Gisela Bichler, Stacie Petter
Abstract: Our study addresses the challenges of building datasets to understand the risks associated with organized activities and human trafficking through commercial sex advertisements. These challenges include data scarcity, rapid obsolescence, and privacy concerns. Traditional approaches, which are not automated and are difficult to reproduce, fall short in addressing these issues. We have developed a reproducible and automated methodology to analyze five million advertisements. In the process, we identified further challenges in dataset creation within this sensitive domain. This paper presents a streamlined methodology to assist researchers in constructing effective datasets for combating organized crime, allowing them to focus on advancing detection technologies.
Authors: Zavareh Bozorgasl, Hao Chen
Abstract: This paper introduces an approach to employ clipped uniform quantization in federated learning settings, aiming to enhance model efficiency by reducing communication overhead without compromising accuracy. By employing optimal clipping thresholds and adaptive quantization schemes, our method significantly curtails the bit requirements for model weight transmissions between clients and the server. We explore the implications of symmetric clipping and uniform quantization on model performance, highlighting the utility of stochastic quantization to mitigate quantization artifacts and improve model robustness. Through extensive simulations on the MNIST dataset, our results demonstrate that the proposed method achieves near full-precision performance while ensuring substantial communication savings. Specifically, our approach facilitates efficient weight averaging based on quantization errors, effectively balancing the trade-off between communication efficiency and model accuracy. The comparative analysis with conventional quantization methods further confirms the superiority of our technique.
Authors: Shuai Wang, David W. Zhang, Jia-Hong Huang, Stevan Rudinac, Monika Kackovic, Nachoem Wijnberg, Marcel Worring
Abstract: Hypergraphs serve as an effective model for depicting complex connections in various real-world scenarios, from social to biological networks. The development of Hypergraph Neural Networks (HGNNs) has emerged as a valuable method to manage the intricate associations in data, though scalability is a notable challenge due to memory limitations. In this study, we introduce a new adaptive sampling strategy specifically designed for hypergraphs, which tackles their unique complexities in an efficient manner. We also present a Random Hyperedge Augmentation (RHA) technique and an additional Multilayer Perceptron (MLP) module to improve the robustness and generalization capabilities of our approach. Thorough experiments with real-world datasets have proven the effectiveness of our method, markedly reducing computational and memory demands while maintaining performance levels akin to conventional HGNNs and other baseline models. This research paves the way for improving both the scalability and efficacy of HGNNs in extensive applications. We will also make our codebase publicly accessible.
Authors: Neil G. Marchant, Benjamin I. P. Rubinstein
Abstract: Reuse of data in adaptive workflows poses challenges regarding overfitting and the statistical validity of results. Previous work has demonstrated that interacting with data via differentially private algorithms can mitigate overfitting, achieving worst-case generalization guarantees with asymptotically optimal data requirements. However, such past work assumes data is static and cannot accommodate situations where data grows over time. In this paper we address this gap, presenting the first generalization bounds for adaptive analysis in the dynamic data setting. We allow the analyst to adaptively schedule their queries conditioned on the current size of the data, in addition to previous queries and responses. We also incorporate time-varying empirical accuracy bounds and mechanisms, allowing for tighter guarantees as data accumulates. In a batched query setting, the asymptotic data requirements of our bound grows with the square-root of the number of adaptive queries, matching prior works' improvement over data splitting for the static setting. We instantiate our bound for statistical queries with the clipped Gaussian mechanism, where it empirically outperforms baselines composed from static bounds.
Authors: Quyang Pan, Sheng Sun, Zhiyuan Wu, Yuwei Wang, Min Liu, Bo Gao
Abstract: Federated Edge Learning (FEL) has emerged as a promising approach for enabling edge devices to collaboratively train machine learning models while preserving data privacy. Despite its advantages, practical FEL deployment faces significant challenges related to device constraints and device-server interactions, necessitating heterogeneous, user-adaptive model training with limited and uncertain communication. In this paper, we introduce FedCache 2.0, a novel personalized FEL architecture that simultaneously addresses these challenges. FedCache 2.0 incorporates the benefits of both dataset distillation and knowledge cache-driven federated learning by storing and organizing distilled data as knowledge in the server-side knowledge cache. Moreover, a device-centric cache sampling strategy is introduced to tailor transferred knowledge for individual devices within controlled communication bandwidth. Extensive experiments on five datasets covering image recognition, audio understanding, and mobile sensor data mining tasks demonstrate that (1) FedCache 2.0 significantly outperforms state-of-the-art methods regardless of model structures, data distributions, and modalities. (2) FedCache 2.0 can train splendid personalized on-device models with at least $\times$28.6 improvement in communication efficiency.
Authors: Chang Zhou, Yang Zhao, Jin Cao, Yi Shen, Jing Gao, Xiaoling Cui, Chiyu Cheng, Hao Liu
Abstract: This paper explores the integration of strategic optimization methods in search advertising, focusing on ad ranking and bidding mechanisms within E-commerce platforms. By employing a combination of reinforcement learning and evolutionary strategies, we propose a dynamic model that adjusts to varying user interactions and optimizes the balance between advertiser cost, user relevance, and platform revenue. Our results suggest significant improvements in ad placement accuracy and cost efficiency, demonstrating the model's applicability in real-world scenarios.
Authors: Jingyang Qiao, Zhizhong Zhang, Xin Tan, Yanyun Qu, Wensheng Zhang, Yuan Xie
Abstract: Catastrophic forgetting poses the primary challenge in the continual learning. Nowadays, methods based on parameter-efficient tuning (PET) have demonstrated impressive performance in continual learning. However, these methods are still confronted with a common problem: fine-tuning on consecutive distinct tasks can disrupt the existing parameter distribution and lead to forgetting. Recent progress mainly focused in empirically designing efficient tuning engineering, lacking investigation of forgetting generation mechanism, anti-forgetting criteria and providing theoretical support. Additionally, the unresolved trade-off between learning new content and protecting old knowledge further complicates these challenges. The gradient projection methodology restricts gradient updates to the orthogonal direction of the old feature space, preventing distribution of the parameters from being damaged during updating and significantly suppressing forgetting. Developing on it, in this paper, we reformulate Adapter, LoRA, Prefix, and Prompt to continual learning setting from the perspective of gradient projection, and propose a unified framework called Parameter Efficient Gradient Projection (PEGP). Based on the hypothesis that old tasks should have the same results after model updated, we introduce orthogonal gradient projection into different PET paradigms and theoretically demonstrate that the orthogonal condition for the gradient can effectively resist forgetting in PET-based continual methods. Notably, PEGP is the first unified method to provide an anti-forgetting mechanism with mathematical demonstration for different tuning paradigms. We extensively evaluate our method with different backbones on diverse datasets, and experiments demonstrate its efficiency in reducing forgetting in various incremental settings.
Authors: Yunzheng Lyu, Feng Bao
Abstract: Kernel learning forward backward SDE filter is an iterative and adaptive meshfree approach to solve the nonlinear filtering problem. It builds from forward backward SDE for Fokker-Planker equation, which defines evolving density for the state variable, and employs KDE to approximate density. This algorithm has shown more superior performance than mainstream particle filter method, in both convergence speed and efficiency of solving high dimension problems. However, this method has only been shown to converge empirically. In this paper, we present a rigorous analysis to demonstrate its local and global convergence, and provide theoretical support for its empirical results.
Authors: Sixin Zhang
Abstract: We study min-max algorithms to solve zero-sum differentiable games on Riemannian manifold. The notions of differentiable Stackelberg equilibrium and differentiable Nash equilibrium in Euclidean space are generalized to Riemannian manifold, through an intrinsic definition which does not depend on the choice of local coordinate chart of manifold. We then provide sufficient conditions for the local convergence of the deterministic simultaneous algorithms $\tau$-GDA and $\tau$-SGA near such equilibrium, using a general methodology based on spectral analysis. These algorithms are extended with stochastic gradients and applied to the training of Wasserstein GAN. The discriminator of GAN is constructed from Lipschitz-continuous functions based on Stiefel manifold. We show numerically how the insights obtained from the local convergence analysis may lead to an improvement of GAN models.
Authors: Wonkeun Jo, Dongil Kim
Abstract: Multivariate time-series forecasting (MTSF) stands as a compelling field within the machine learning community. Diverse neural network based methodologies deployed in MTSF applications have demonstrated commendable efficacy. Despite the advancements in model performance, comprehending the rationale behind the model's behavior remains an enigma. Our proposed model, the Neural ForeCasting Layer (NFCL), employs a straightforward amalgamation of neural networks. This uncomplicated integration ensures that each neural network contributes inputs and predictions independently, devoid of interference from other inputs. Consequently, our model facilitates a transparent explication of forecast results. This paper introduces NFCL along with its diverse extensions. Empirical findings underscore NFCL's superior performance compared to nine benchmark models across 15 available open datasets. Notably, NFCL not only surpasses competitors but also provides elucidation for its predictions. In addition, Rigorous experimentation involving diverse model structures bolsters the justification of NFCL's unique configuration.
Authors: Felix den Breejen, Sangmin Bae, Stephen Cha, Se-Young Yun
Abstract: The recently introduced TabPFN pretrains an In-Context Learning (ICL) transformer on synthetic data to perform tabular data classification. As synthetic data does not share features or labels with real-world data, the underlying mechanism that contributes to the success of this method remains unclear. This study provides an explanation by demonstrating that ICL-transformers acquire the ability to create complex decision boundaries during pretraining. To validate our claim, we develop a novel forest dataset generator which creates datasets that are unrealistic, but have complex decision boundaries. Our experiments confirm the effectiveness of ICL-transformers pretrained on this data. Furthermore, we create TabForestPFN, the ICL-transformer pretrained on both the original TabPFN synthetic dataset generator and our forest dataset generator. By fine-tuning this model, we reach the current state-of-the-art on tabular data classification. Code is available at https://github.com/FelixdenBreejen/TabForestPFN.
Authors: Sahil Rajesh Dhayalkar
Abstract: Transformers have revolutionized various domains of artificial intelligence due to their unique ability to model long-range dependencies in data. However, they lack in nuanced, context-dependent modulation of features and information flow. This paper introduces two significant enhancements to the transformer architecture - the Evaluator Adjuster Unit (EAU) and Gated Residual Connections (GRC) - designed to address these limitations. The EAU dynamically modulates attention outputs based on the relevance of the input context, allowing for more adaptive response patterns. Concurrently, the GRC modifies the transformer's residual connections through a gating mechanism that selectively controls the information flow, thereby enhancing the network's ability to focus on contextually important features. We evaluate the performance of these enhancements across several benchmarks in natural language processing. Our results demonstrate improved adaptability and efficiency, suggesting that these modifications could set new standards for designing flexible and context-aware transformer models.
Authors: Qiang Chen, Weizhong Yu, Feiping Nie, Xuelong Li
Abstract: Fuzzy clustering algorithms can be roughly categorized into two main groups: Fuzzy C-Means (FCM) based methods and mixture model based methods. However, for almost all existing FCM based methods, how to automatically selecting proper membership degree hyper-parameter values remains a challenging and unsolved problem. Mixture model based methods, while circumventing the difficulty of manually adjusting membership degree hyper-parameters inherent in FCM based methods, often have a preference for specific distributions, such as the Gaussian distribution. In this paper, we propose a novel FCM based clustering model that is capable of automatically learning an appropriate membership degree hyper-parameter value and handling data with non-Gaussian clusters. Moreover, by removing the graph embedding regularization, the proposed FCM model can degenerate into the simplified generalized Gaussian mixture model. Therefore, the proposed FCM model can be also seen as the generalized Gaussian mixture model with graph embedding. Extensive experiments are conducted on both synthetic and real-world datasets to demonstrate the effectiveness of the proposed model.
Authors: Zhiyuan Wang, Bokui Chen, Xiaoyang Qu, Zhenhou Hong, Jing Xiao, Jianzong Wang
Abstract: With the rapid advancements in artificial intelligence, the development of knowledgeable and personalized agents has become increasingly prevalent. However, the inherent variability in state variables and action spaces among personalized agents poses significant aggregation challenges for traditional federated learning algorithms. To tackle these challenges, we introduce the Federated Split Decision Transformer (FSDT), an innovative framework designed explicitly for AI agent decision tasks. The FSDT framework excels at navigating the intricacies of personalized agents by harnessing distributed data for training while preserving data privacy. It employs a two-stage training process, with local embedding and prediction models on client agents and a global transformer decoder model on the server. Our comprehensive evaluation using the benchmark D4RL dataset highlights the superior performance of our algorithm in federated split learning for personalized agents, coupled with significant reductions in communication and computational overhead compared to traditional centralized training approaches. The FSDT framework demonstrates strong potential for enabling efficient and privacy-preserving collaborative learning in applications such as autonomous driving decision systems. Our findings underscore the efficacy of the FSDT framework in effectively leveraging distributed offline reinforcement learning data to enable powerful multi-type agent decision systems.
Authors: Prasun Dutta, Rajat K. De
Abstract: Referring back to the original text in the course of hierarchical learning is a common human trait that ensures the right direction of learning. The models developed based on the concept of Non-negative Matrix Factorization (NMF), in this paper are inspired by this idea. They aim to deal with high-dimensional data by discovering its low rank approximation by determining a unique pair of factor matrices. The model, named Input Guided Multiple Deconstruction Single Reconstruction neural network for Non-negative Matrix Factorization (IG-MDSR-NMF), ensures the non-negativity constraints of both factors. Whereas Input Guided Multiple Deconstruction Single Reconstruction neural network for Relaxed Non-negative Matrix Factorization (IG-MDSR-RNMF) introduces a novel idea of factorization with only the basis matrix adhering to the non-negativity criteria. This relaxed version helps the model to learn more enriched low dimensional embedding of the original data matrix. The competency of preserving the local structure of data in its low rank embedding produced by both the models has been appropriately verified. The superiority of low dimensional embedding over that of the original data justifying the need for dimension reduction has been established. The primacy of both the models has also been validated by comparing their performances separately with that of nine other established dimension reduction algorithms on five popular datasets. Moreover, computational complexity of the models and convergence analysis have also been presented testifying to the supremacy of the models.
Authors: Puning Zhao, Lifeng Lai, Li Shen, Qingming Li, Jiafei Wu, Zhe Liu
Abstract: Privacy protection of users' entire contribution of samples is important in distributed systems. The most effective approach is the two-stage scheme, which finds a small interval first and then gets a refined estimate by clipping samples into the interval. However, the clipping operation induces bias, which is serious if the sample distribution is heavy-tailed. Besides, users with large local sample sizes can make the sensitivity much larger, thus the method is not suitable for imbalanced users. Motivated by these challenges, we propose a Huber loss minimization approach to mean estimation under user-level differential privacy. The connecting points of Huber loss can be adaptively adjusted to deal with imbalanced users. Moreover, it avoids the clipping operation, thus significantly reducing the bias compared with the two-stage approach. We provide a theoretical analysis of our approach, which gives the noise strength needed for privacy protection, as well as the bound of mean squared error. The result shows that the new method is much less sensitive to the imbalance of user-wise sample sizes and the tail of sample distributions. Finally, we perform numerical experiments to validate our theoretical analysis.
Authors: Clara Bove, Thibault Laugel, Marie-Jeanne Lesot, Charles Tijus, Marcin Detyniecki
Abstract: As Machine Learning (ML) models achieve unprecedented levels of performance, the XAI domain aims at making these models understandable by presenting end-users with intelligible explanations. Yet, some existing XAI approaches fail to meet expectations: several issues have been reported in the literature, generally pointing out either technical limitations or misinterpretations by users. In this paper, we argue that the resulting harms arise from a complex overlap of multiple failures in XAI, which existing ad-hoc studies fail to capture. This work therefore advocates for a holistic perspective, presenting a systematic investigation of limitations of current XAI methods and their impact on the interpretation of explanations. By distinguishing between system-specific and user-specific failures, we propose a typological framework that helps revealing the nuanced complexities of explanation failures. Leveraging this typology, we also discuss some research directions to help AI practitioners better understand the limitations of XAI systems and enhance the quality of ML explanations.
Authors: Tom\'as Huttebraucker, Mohamed Sana, Emilio Calvanese Strinati
Abstract: We relax the constraint of a shared language between agents in a semantic and goal-oriented communication system to explore the effect of language mismatch in distributed task solving. We propose a mathematical framework, which provides a modelling and a measure of the semantic distortion introduced in the communication when agents use distinct languages. We then propose a new approach to semantic channel equalization with proven effectiveness through numerical evaluations.
Authors: Zhijian Xu, Yuxuan Bian, Jianyuan Zhong, Xiangyu Wen, Qiang Xu
Abstract: This work introduces a novel Text-Guided Time Series Forecasting (TGTSF) task. By integrating textual cues, such as channel descriptions and dynamic news, TGTSF addresses the critical limitations of traditional methods that rely purely on historical data. To support this task, we propose TGForecaster, a robust baseline model that fuses textual cues and time series data using cross-attention mechanisms. We then present four meticulously curated benchmark datasets to validate the proposed framework, ranging from simple periodic data to complex, event-driven fluctuations. Our comprehensive evaluations demonstrate that TGForecaster consistently achieves state-of-the-art performance, highlighting the transformative potential of incorporating textual information into time series forecasting. This work not only pioneers a novel forecasting task but also establishes a new benchmark for future research, driving advancements in multimodal data integration for time series models.
Authors: Joshua Southern, Francesco Di Giovanni, Michael Bronstein, Johannes F. Lutzeyer
Abstract: Message passing neural networks (MPNNs) have been shown to have limitations in terms of expressivity and modeling long-range interactions. Augmenting MPNNs with a virtual node (VN) removes the locality constraint of the layer aggregation and has been found to improve performance on a range of benchmarks. We provide a comprehensive theoretical analysis of the role of VNs and benefits thereof, through the lenses of oversmoothing, oversquashing, and sensitivity analysis. First, in contrast to prior belief, we find that VNs typically avoid replicating anti-smoothing approaches to maintain expressive power. Second, we characterize, precisely, how the improvement afforded by VNs on the mixing abilities of the network and hence in mitigating oversquashing, depends on the underlying topology. Finally, we highlight that, unlike Graph-Transformers (GT), classical instantiations of the VN are often constrained to assign uniform importance to different nodes. Consequently, we propose a variant of VN with the same computational complexity, which can have different sensitivity to nodes based on the graph structure. We show that this is an extremely effective and computationally efficient baseline on graph-level tasks.
Authors: Yinsong Chen, Samson S. Yu, Zhong Li, Chee Peng Lim
Abstract: In recent years, the inconsistency in Bayesian deep learning has garnered increasing attention. Tempered or generalized posterior distributions often offer a direct and effective solution to this issue. However, understanding the underlying causes and evaluating the effectiveness of generalized posteriors remain active areas of research. In this study, we introduce a unified theoretical framework to attribute Bayesian inconsistency to model misspecification and inadequate priors. We interpret the generalization of the posterior with a temperature factor as a correction for misspecified models through adjustments to the joint probability model, and the recalibration of priors by redistributing probability mass on models within the hypothesis space using data samples. Additionally, we highlight a distinctive feature of Laplace approximation, which ensures that the generalized normalizing constant can be treated as invariant, unlike the typical scenario in general Bayesian learning where this constant varies with model parameters post-generalization. Building on this insight, we propose the generalized Laplace approximation, which involves a simple adjustment to the computation of the Hessian matrix of the regularized loss function. This method offers a flexible and scalable framework for obtaining high-quality posterior distributions. We assess the performance and properties of the generalized Laplace approximation on state-of-the-art neural networks and real-world datasets.
Authors: Tobias Leemann, Alina Fastowski, Felix Pfeiffer, Gjergji Kasneci
Abstract: We address the critical challenge of applying feature attribution methods to the transformer architecture, which dominates current applications in natural language processing and beyond. Traditional attribution methods to explainable AI (XAI) explicitly or implicitly rely on linear or additive surrogate models to quantify the impact of input features on a model's output. In this work, we formally prove an alarming incompatibility: transformers are structurally incapable to align with popular surrogate models for feature attribution, undermining the grounding of these conventional explanation methodologies. To address this discrepancy, we introduce the Softmax-Linked Additive Log-Odds Model (SLALOM), a novel surrogate model specifically designed to align with the transformer framework. Unlike existing methods, SLALOM demonstrates the capacity to deliver a range of faithful and insightful explanations across both synthetic and real-world datasets. Showing that diverse explanations computed from SLALOM outperform common surrogate explanations on different tasks, we highlight the need for task-specific feature attributions rather than a one-size-fits-all approach.
Authors: Victor-Alexandru Darvariu, Stephen Hailes, Mirco Musolesi
Abstract: Causal structure discovery from observations can be improved by integrating background knowledge provided by an expert to reduce the hypothesis space. Recently, Large Language Models (LLMs) have begun to be considered as sources of prior information given the low cost of querying them relative to a human expert. In this work, firstly, we propose a set of metrics for assessing LLM judgments for causal graph discovery independently of the downstream algorithm. Secondly, we systematically study a set of prompting designs that allows the model to specify priors about the structure of the causal graph. Finally, we present a general methodology for the integration of LLM priors in graph discovery algorithms, finding that they help improve performance on common-sense benchmarks and especially when used for assessing edge directionality. Our work highlights the potential as well as the shortcomings of the use of LLMs in this problem space.
Authors: Luca Savant Aira, Antonio Montanaro, Emanuele Aiello, Diego Valsesia, Enrico Magli
Abstract: Generating videos with realistic and physically plausible motion is one of the main recent challenges in computer vision. While diffusion models are achieving compelling results in image generation, video diffusion models are limited by heavy training and huge models, resulting in videos that are still biased to the training dataset. In this work we propose MotionCraft, a new zero-shot video generator to craft physics-based and realistic videos. MotionCraft is able to warp the noise latent space of an image diffusion model, such as Stable Diffusion, by applying an optical flow derived from a physics simulation. We show that warping the noise latent space results in coherent application of the desired motion while allowing the model to generate missing elements consistent with the scene evolution, which would otherwise result in artefacts or missing content if the flow was applied in the pixel space. We compare our method with the state-of-the-art Text2Video-Zero reporting qualitative and quantitative improvements, demonstrating the effectiveness of our approach to generate videos with finely-prescribed complex motion dynamics. Project page: https://mezzelfo.github.io/MotionCraft/
Authors: Peiwang Tang, Weitai Zhang
Abstract: Recent studies have attempted to refine the Transformer architecture to demonstrate its effectiveness in Long-Term Time Series Forecasting (LTSF) tasks. Despite surpassing many linear forecasting models with ever-improving performance, we remain skeptical of Transformers as a solution for LTSF. We attribute the effectiveness of these models largely to the adopted Patch mechanism, which enhances sequence locality to an extent yet fails to fully address the loss of temporal information inherent to the permutation-invariant self-attention mechanism. Further investigation suggests that simple linear layers augmented with the Patch mechanism may outperform complex Transformer-based LTSF models. Moreover, diverging from models that use channel independence, our research underscores the importance of cross-variable interactions in enhancing the performance of multivariate time series forecasting. The interaction information between variables is highly valuable but has been misapplied in past studies, leading to suboptimal cross-variable models. Based on these insights, we propose a novel and simple Patch-based Decomposed MLP (PDMLP) for LTSF tasks. Specifically, we employ simple moving averages to extract smooth components and noise-containing residuals from time series data, engaging in semantic information interchange through channel mixing and specializing in random noise with channel independence processing. The PDMLP model consistently achieves state-of-the-art results on several real-world datasets. We hope this surprising finding will spur new research directions in the LTSF field and pave the way for more efficient and concise solutions.
Authors: Qingming Li, Juzheng Miao, Puning Zhao, Li Zhou, Shouling Ji, Bowen Zhou, Furui Liu
Abstract: Client selection significantly affects the system convergence efficiency and is a crucial problem in federated learning. Existing methods often select clients by evaluating each round individually and overlook the necessity for long-term optimization, resulting in suboptimal performance and potential fairness issues. In this study, we propose a novel client selection strategy designed to emulate the performance achieved with full client participation. In a single round, we select clients by minimizing the gradient-space estimation error between the client subset and the full client set. In multi-round selection, we introduce a novel individual fairness constraint, which ensures that clients with similar data distributions have similar frequencies of being selected. This constraint guides the client selection process from a long-term perspective. We employ Lyapunov optimization and submodular functions to efficiently identify the optimal subset of clients, and provide a theoretical analysis of the convergence ability. Experiments demonstrate that the proposed strategy significantly improves both accuracy and fairness compared to previous methods while also exhibiting efficiency by incurring minimal time overhead.
Authors: Alexis-Raja Brachet, Pierre-Yves Richard, C\'eline Hudelot
Abstract: In the trend of hybrid Artificial Intelligence (AI) techniques, Physic Informed Machine Learning has seen a growing interest. It operates mainly by imposing a data, learning or inductive bias with simulation data, Partial Differential Equations or equivariance and invariance properties. While these models have shown great success on tasks involving one physical domain such as fluid dynamics, existing methods still struggle on tasks with complex multi-physical and multi-domain phenomena. To address this challenge, we propose to leverage Bond Graphs, a multi-physics modeling approach together with Graph Neural Network. We thus propose Neural Bond Graph Encoder (NBgE), a model agnostic physical-informed encoder tailored for multi-physics systems. It provides an unified framework for any multi-physics informed AI with a graph encoder readable for any deep learning model. Our experiments on two challenging multi-domain physical systems - a Direct Current Motor and the Respiratory system - demonstrate the effectiveness of our approach on a multi-variate time series forecasting task.
Authors: Simon Weissmann, Sara Klein, Wa\"iss Azizian, Leif D\"oring
Abstract: Stochastic gradient methods are among the most important algorithms in training machine learning problems. While classical assumptions such as strong convexity allow a simple analysis they are rarely satisfied in applications. In recent years, global and local gradient domination properties have shown to be a more realistic replacement of strong convexity. They were proved to hold in diverse settings such as (simple) policy gradient methods in reinforcement learning and training of deep neural networks with analytic activation functions. We prove almost sure convergence rates $f(X_n)-f^*\in o\big( n^{-\frac{1}{4\beta-1}+\epsilon}\big)$ of the last iterate for stochastic gradient descent (with and without momentum) under global and local $\beta$-gradient domination assumptions. The almost sure rates get arbitrarily close to recent rates in expectation. Finally, we demonstrate how to apply our results to the training task in both supervised and reinforcement learning.
Authors: Thorsten Wittkopp, Philipp Wiesner, Odej Kao
Abstract: To assist IT service developers and operators in managing their increasingly complex service landscapes, there is a growing effort to leverage artificial intelligence in operations. To speed up troubleshooting, log anomaly detection has received much attention in particular, dealing with the identification of log events that indicate the reasons for a system failure. However, faults often propagate extensively within systems, which can result in a large number of anomalies being detected by existing approaches. In this case, it can remain very challenging for users to quickly identify the actual root cause of a failure. We propose LogRCA, a novel method for identifying a minimal set of log lines that together describe a root cause. LogRCA uses a semi-supervised learning approach to deal with rare and unknown errors and is designed to handle noisy data. We evaluated our approach on a large-scale production log data set of 44.3 million log lines, which contains 80 failures, whose root causes were labeled by experts. LogRCA consistently outperforms baselines based on deep learning and statistical analysis in terms of precision and recall to detect candidate root causes. In addition, we investigated the impact of our deployed data balancing approach, demonstrating that it considerably improves performance on rare failures.
Authors: Maximilian N\"agele, Jan Olle, Thomas F\"osel, Remmy Zen, Florian Marquardt
Abstract: Markov decision processes (MDPs) are used to model a wide variety of applications ranging from game playing over robotics to finance. Their optimal policy typically maximizes the expected sum of rewards given at each step of the decision process. However, a large class of problems does not fit straightforwardly into this framework: Non-cumulative Markov decision processes (NCMDPs), where instead of the expected sum of rewards, the expected value of an arbitrary function of the rewards is maximized. Example functions include the maximum of the rewards or their mean divided by their standard deviation. In this work, we introduce a general mapping of NCMDPs to standard MDPs. This allows all techniques developed to find optimal policies for MDPs, such as reinforcement learning or dynamic programming, to be directly applied to the larger class of NCMDPs. Focusing on reinforcement learning, we show applications in a diverse set of tasks, including classical control, portfolio optimization in finance, and discrete optimization problems. Given our approach, we can improve both final performance and training time compared to relying on standard MDPs.
Authors: Chen-Hao Chao, Chien Feng, Wei-Fang Sun, Cheng-Kuang Lee, Simon See, Chun-Yi Lee
Abstract: Existing Maximum-Entropy (MaxEnt) Reinforcement Learning (RL) methods for continuous action spaces are typically formulated based on actor-critic frameworks and optimized through alternating steps of policy evaluation and policy improvement. In the policy evaluation steps, the critic is updated to capture the soft Q-function. In the policy improvement steps, the actor is adjusted in accordance with the updated soft Q-function. In this paper, we introduce a new MaxEnt RL framework modeled using Energy-Based Normalizing Flows (EBFlow). This framework integrates the policy evaluation steps and the policy improvement steps, resulting in a single objective training process. Our method enables the calculation of the soft value function used in the policy evaluation target without Monte Carlo approximation. Moreover, this design supports the modeling of multi-modal action distributions while facilitating efficient action sampling. To evaluate the performance of our method, we conducted experiments on the MuJoCo benchmark suite and a number of high-dimensional robotic tasks simulated by Omniverse Isaac Gym. The evaluation results demonstrate that our method achieves superior performance compared to widely-adopted representative baselines.
Authors: Santtu Keskinen
Abstract: Most of the dominant approaches to continual learning are based on either memory replay, parameter isolation, or regularization techniques that require task boundaries to calculate task statistics. We propose a static architecture-based method that doesn't use any of these. We show that we can improve the continual learning performance by replacing the final layer of our networks with our pairwise interaction layer. The pairwise interaction layer uses sparse representations from a Winner-take-all style activation function to find the relevant correlations in the hidden layer representations. The networks using this architecture show competitive performance in MNIST and FashionMNIST-based continual image classification experiments. We demonstrate this in an online streaming continual learning setup where the learning system cannot access task labels or boundaries.
Authors: Lingyun Yao, Martin Trapp, Jelin Leslin, Gaurav Singh, Peng Zhang, Karthekeyan Periasamy, Martin Andraud
Abstract: Probabilistic circuits (PCs) offer a promising avenue to perform embedded reasoning under uncertainty. They support efficient and exact computation of various probabilistic inference tasks by design. Hence, hardware-efficient computation of PCs is highly interesting for edge computing applications. As computations in PCs are based on arithmetic with probability values, they are typically performed in the log domain to avoid underflow. Unfortunately, performing the log operation on hardware is costly. Hence, prior work has focused on computations in the linear domain, resulting in high resolution and energy requirements. This work proposes the first dedicated approximate computing framework for PCs that allows for low-resolution logarithm computations. We leverage Addition As Int, resulting in linear PC computation with simple hardware elements. Further, we provide a theoretical approximation error analysis and present an error compensation mechanism. Empirically, our method obtains up to 357x and 649x energy reduction on custom hardware for evidence and MAP queries respectively with little or no computational error.
Authors: Mingyu Liu, Nana Bao, Xingting Yan, Chenyang Li, Kai Peng
Abstract: Understanding the combined influences of meteorological and hydrological factors on water level and flood events is essential, particularly in today's changing climate environments. Transformer, as one kind of the cutting-edge deep learning methods, offers an effective approach to model intricate nonlinear processes, enables the extraction of key features and water level predictions. EXplainable Artificial Intelligence (XAI) methods play important roles in enhancing the understandings of how different factors impact water level. In this study, we propose a Transformer variant by integrating sparse attention mechanism and introducing nonlinear output layer for the decoder module. The variant model is utilized for multi-step forecasting of water level, by considering meteorological and hydrological factors simultaneously. It is shown that the variant model outperforms traditional Transformer across different lead times with respect to various evaluation metrics. The sensitivity analyses based on XAI technology demonstrate the significant influence of meteorological factors on water level evolution, in which temperature is shown to be the most dominant meteorological factor. Therefore, incorporating both meteorological and hydrological factors is necessary for reliable hydrological prediction and flood prevention. In the meantime, XAI technology provides insights into certain predictions, which is beneficial for understanding the prediction results and evaluating the reasonability.
Authors: Sagnik Chatterjee, Manuj Mukherjee, Alhad Sethi
Abstract: In this work, we give generalization bounds of statistical learning algorithms trained on samples drawn from a dependent data source, both in expectation and with high probability, using the Online-to-Batch conversion paradigm. We show that the generalization error of statistical learners in the dependent data setting is equivalent to the generalization error of statistical learners in the i.i.d. setting up to a term that depends on the decay rate of the underlying mixing stochastic process and is independent of the complexity of the statistical learner. Our proof techniques involve defining a new notion of stability of online learning algorithms based on Wasserstein distances and employing "near-martingale" concentration bounds for dependent random variables to arrive at appropriate upper bounds for the generalization error of statistical learners trained on dependent data.
Authors: Jack Fitzsimons, Agust\'in Freitas Pasqualini, Robert Pisarczyk, Dmitrii Usynin
Abstract: Often we consider machine learning models or statistical analysis methods which we endeavour to alter, by introducing a randomized mechanism, to make the model conform to a differential privacy constraint. However, certain models can often be implicitly differentially private or require significantly fewer alterations. In this work, we discuss Determinantal Point Processes (DPPs) which are dispersion models that balance recommendations based on both the popularity and the diversity of the content. We introduce DPPs, derive and discuss the alternations required for them to satisfy epsilon-Differential Privacy and provide an analysis of their sensitivity. We conclude by proposing simple alternatives to DPPs which would make them more efficient with respect to their privacy-utility trade-off.
Authors: Sho Sonoda, Yuka Hashimoto, Isao Ishikawa, Masahiro Ikeda
Abstract: We present a unified constructive universal approximation theorem covering a wide range of learning machines including both shallow and deep neural networks based on the group representation theory. Constructive here means that the distribution of parameters is given in a closed-form expression (called the ridgelet transform). Contrary to the case of shallow models, expressive power analysis of deep models has been conducted in a case-by-case manner. Recently, Sonoda et al. (2023a,b) developed a systematic method to show a constructive approximation theorem from scalar-valued joint-group-invariant feature maps, covering a formal deep network. However, each hidden layer was formalized as an abstract group action, so it was not possible to cover real deep networks defined by composites of nonlinear activation function. In this study, we extend the method for vector-valued joint-group-equivariant feature maps, so to cover such real networks.
Authors: Sergei Krutikov (Booking.com), Bulat Khaertdinov (Maastricht University), Rodion Kiriukhin (Booking.com), Shubham Agrawal (Booking.com), Kees Jan De Vries (Booking.com)
Abstract: Transformer-based neural networks, empowered by Self-Supervised Learning (SSL), have demonstrated unprecedented performance across various domains. However, related literature suggests that tabular Transformers may struggle to outperform classical Machine Learning algorithms, such as Gradient Boosted Decision Trees (GBDT). In this paper, we aim to challenge GBDTs with tabular Transformers on a typical task faced in e-commerce, namely fraud detection. Our study is additionally motivated by the problem of selection bias, often occurring in real-life fraud detection systems. It is caused by the production system affecting which subset of traffic becomes labeled. This issue is typically addressed by sampling randomly a small part of the whole production data, referred to as a Control Group. This subset follows a target distribution of production data and therefore is usually preferred for training classification models with standard ML algorithms. Our methodology leverages the capabilities of Transformers to learn transferable representations using all available data by means of SSL, giving it an advantage over classical methods. Furthermore, we conduct large-scale experiments, pre-training tabular Transformers on vast amounts of data instances and fine-tuning them on smaller target datasets. The proposed approach outperforms heavily tuned GBDTs by a considerable margin of the Average Precision (AP) score. Pre-trained models show more consistent performance than the ones trained from scratch when fine-tuning data is limited. Moreover, they require noticeably less labeled data for reaching performance comparable to their GBDT competitor that utilizes the whole dataset.
Authors: Jose M. Alvarez, Salvatore Ruggieri
Abstract: Causal reasoning, in particular, counterfactual reasoning plays a central role in testing for discrimination. Counterfactual reasoning materializes when testing for discrimination, what is known as the counterfactual model of discrimination, when we compare the discrimination comparator with the discrimination complainant, where the comparator is a similar (or similarly situated) profile to that of the complainant used for testing the discrimination claim of the complainant. In this paper, we revisit the comparator by presenting two kinds of comparators based on the sort of causal intervention we want to represent. We present the ceteris paribus and the mutatis mutandis comparator, where the former is the standard and the latter is a new kind of comparator. We argue for the use of the mutatis mutandis comparator, which is built on the fairness given the difference notion, for testing future algorithmic discrimination cases.
Authors: Xi Wang, Laurence Aitchison
Abstract: We show that weights learned by AdamW can be understood as an exponential moving average (EMA) of recent updates. This gives critical insights for how to set the weight decay in AdamW, and how the weight decay should scale with model and dataset size. In particular, the key hyperparameter for an exponential moving average is the EMA timescale. Intuitively, the EMA timescale can be understood as the number of recent iterations the EMA averages over. Given a fixed learning rate, there is a one-to-one mapping from the EMA timescale to the usual weight decay hyperparameter. Thus, choosing an EMA timescale implicitly sets the weight decay. Importantly, there are natural guidelines for sensible values for the EMA timescale: we need to average over all datapoints, so the EMA timescale should not be (much) smaller than 1 epoch, and we need to forget early updates, so the EMA timescale should not be (much) bigger than the total number of training epochs. In our experiments, we find that optimal EMA timescales are consistent with these guidelines, as are the hyperparameters chosen in recent large-scale LLM pretraining runs (e.g.\ Llama 1+2 and Stable LM). Critically, these guidelines suggest that the optimal EMA timescale should not change (much) as we scale the model and dataset. That implies that as the dataset size increases, the optimal weight decay should fall. Moreover, as the model size increases, the optimal weight decay should also increase (if we follow the muP recommendation for scaling the learning rate).
Authors: Lorenzo Perini, Maja Rudolph, Sabrina Schmedding, Chen Qiu
Abstract: Anomaly detection is the task of identifying examples that do not behave as expected. Because anomalies are rare and unexpected events, collecting real anomalous examples is often challenging in several applications. In addition, learning an anomaly detector with limited (or no) anomalies often yields poor prediction performance. One option is to employ auxiliary synthetic anomalies to improve the model training. However, synthetic anomalies may be of poor quality: anomalies that are unrealistic or indistinguishable from normal samples may deteriorate the detector's performance. Unfortunately, no existing methods quantify the quality of auxiliary anomalies. We fill in this gap and propose the expected anomaly posterior (EAP), an uncertainty-based score function that measures the quality of auxiliary anomalies by quantifying the total uncertainty of an anomaly detector. Experimentally on 40 benchmark datasets of images and tabular data, we show that EAP outperforms 12 adapted data quality estimators in the majority of cases.
Authors: Xinyi Gao, Tong Chen, Wentao Zhang, Junliang Yu, Guanhua Ye, Quoc Viet Hung Nguyen, Hongzhi Yin
Abstract: The increasing prevalence of large-scale graphs poses a significant challenge for graph neural network training, attributed to their substantial computational requirements. In response, graph condensation (GC) emerges as a promising data-centric solution aiming to substitute the large graph with a small yet informative condensed graph to facilitate data-efficient GNN training. However, existing GC methods suffer from intricate optimization processes, necessitating excessive computing resources. In this paper, we revisit existing GC optimization strategies and identify two pervasive issues: 1. various GC optimization strategies converge to class-level node feature matching between the original and condensed graphs, making the optimization target coarse-grained despite the complex computations; 2. to bridge the original and condensed graphs, existing GC methods rely on a Siamese graph network architecture that requires time-consuming bi-level optimization with iterative gradient computations. To overcome these issues, we propose a training-free GC framework termed Class-partitioned Graph Condensation (CGC), which refines the node feature matching from the class-to-class paradigm into a novel class-to-node paradigm. Remarkably, this refinement also simplifies the GC optimization as a class partition problem, which can be efficiently solved by any clustering methods. Moreover, CGC incorporates a pre-defined graph structure to enable a closed-form solution for condensed node features, eliminating the back-and-forth gradient descent in existing GC approaches without sacrificing accuracy. Extensive experiments demonstrate that CGC achieves state-of-the-art performance with a more efficient condensation process. For instance, compared with the seminal GC method (i.e., GCond), CGC condenses the largest Reddit graph within 10 seconds, achieving a 2,680X speedup and a 1.4% accuracy increase.
Authors: Yi Xiao, Qilong Jia, Wei Xue, Lei Bai
Abstract: Data assimilation refers to a set of algorithms designed to compute the optimal estimate of a system's state by refining the prior prediction (known as background states) using observed data. Variational assimilation methods rely on the maximum likelihood approach to formulate a variational cost, with the optimal state estimate derived by minimizing this cost. Although traditional variational methods have achieved great success and have been widely used in many numerical weather prediction centers, they generally assume Gaussian errors in the background states, which limits the accuracy of these algorithms due to the inherent inaccuracies of this assumption. In this paper, we introduce VAE-Var, a novel variational algorithm that leverages a variational autoencoder (VAE) to model a non-Gaussian estimate of the background error distribution. We theoretically derive the variational cost under the VAE estimation and present the general formulation of VAE-Var; we implement VAE-Var on low-dimensional chaotic systems and demonstrate through experimental results that VAE-Var consistently outperforms traditional variational assimilation methods in terms of accuracy across various observational settings.
Authors: Fran\c{c}ois Rozet, G\'er\^ome Andry, Fran\c{c}ois Lanusse, Gilles Louppe
Abstract: Diffusion models recently proved to be remarkable priors for Bayesian inverse problems. However, training these models typically requires access to large amounts of clean data, which could prove difficult in some settings. In this work, we present a novel method based on the expectation-maximization algorithm for training diffusion models from incomplete and noisy observations only. Unlike previous works, our method leads to proper diffusion models, which is crucial for downstream tasks. As part of our method, we propose and motivate a new posterior sampling scheme for unconditional diffusion models. We present empirical evidence supporting the effectiveness of our method.
Authors: Liam Madden, Curtis Fox, Christos Thrampoulidis
Abstract: Given a sequence of tokens, such as words, the task of next-token prediction is to predict the next-token conditional probability distribution. Decoder-only transformers have become effective models for this task, but their properties are still not fully understood. In particular, the largest number of distinct context sequences that a decoder-only transformer can interpolate next-token distributions for has not been established. To fill this gap, we prove upper and lower bounds on this number, which are equal up to a multiplicative constant. We prove these bounds in the general setting where next-token distributions can be arbitrary as well as the empirical setting where they are calculated from a finite number of document sequences. Our lower bounds are for one-layer transformers and our proofs highlight an important injectivity property satisfied by self-attention. Furthermore, we provide numerical evidence that the minimal number of parameters for memorization is sufficient for being able to train the model to the entropy lower bound.
Authors: Zhiwei Bai, Jiajie Zhao, Yaoyu Zhang
Abstract: Matrix factorization models have been extensively studied as a valuable test-bed for understanding the implicit biases of overparameterized models. Although both low nuclear norm and low rank regularization have been studied for these models, a unified understanding of when, how, and why they achieve different implicit regularization effects remains elusive. In this work, we systematically investigate the implicit regularization of matrix factorization for solving matrix completion problems. We empirically discover that the connectivity of observed data plays a crucial role in the implicit bias, with a transition from low nuclear norm to low rank as data shifts from disconnected to connected with increased observations. We identify a hierarchy of intrinsic invariant manifolds in the loss landscape that guide the training trajectory to evolve from low-rank to higher-rank solutions. Based on this finding, we theoretically characterize the training trajectory as following the hierarchical invariant manifold traversal process, generalizing the characterization of Li et al. (2020) to include the disconnected case. Furthermore, we establish conditions that guarantee minimum nuclear norm, closely aligning with our experimental findings, and we provide a dynamics characterization condition for ensuring minimum rank. Our work reveals the intricate interplay between data connectivity, training dynamics, and implicit regularization in matrix factorization models.
Authors: Ziqing Wen, Xiaoge Deng, Ping Luo, Tao Sun, Dongsheng Li
Abstract: Score-based generative models have demonstrated significant practical success in data-generating tasks. The models establish a diffusion process that perturbs the ground truth data to Gaussian noise and then learn the reverse process to transform noise into data. However, existing denoising methods such as Langevin dynamic and numerical stochastic differential equation solvers enjoy randomness but generate data slowly with a large number of score function evaluations, and the ordinary differential equation solvers enjoy faster sampling speed but no randomness may influence the sample quality. To this end, motivated by the Stochastic Gradient Descent (SGD) optimization methods and the high connection between the model sampling process with the SGD, we propose adaptive momentum sampling to accelerate the transforming process without introducing additional hyperparameters. Theoretically, we proved our method promises convergence under given conditions. In addition, we empirically show that our sampler can produce more faithful images/graphs in small sampling steps with 2 to 5 times speed up and obtain competitive scores compared to the baselines on image and graph generation tasks.
Authors: Rui Xu, Jiepeng Wang, Hao Pan, Yang Liu, Xin Tong, Shiqing Xin, Changhe Tu, Taku Komura, Wenping Wang
Abstract: In this paper, we study an under-explored but important factor of diffusion generative models, i.e., the combinatorial complexity. Data samples are generally high-dimensional, and for various structured generation tasks, there are additional attributes which are combined to associate with data samples. We show that the space spanned by the combination of dimensions and attributes is insufficiently sampled by existing training scheme of diffusion generative models, causing degraded test time performance. We present a simple fix to this problem by constructing stochastic processes that fully exploit the combinatorial structures, hence the name ComboStoc. Using this simple strategy, we show that network training is significantly accelerated across diverse data modalities, including images and 3D structured shapes. Moreover, ComboStoc enables a new way of test time generation which uses insynchronized time steps for different dimensions and attributes, thus allowing for varying degrees of control over them.
Authors: Liam Madden
Abstract: The minimal number of neurons required for a feedforward neural network to interpolate $n$ generic input-output pairs from $\mathbb{R}^d\times \mathbb{R}$ is $\Theta(\sqrt{n})$. While previous results have shown that $\Theta(\sqrt{n})$ neurons are sufficient, they have been limited to logistic, Heaviside, and rectified linear unit (ReLU) as the activation function. Using a different approach, we prove that $\Theta(\sqrt{n})$ neurons are sufficient as long as the activation function is real analytic at a point and not a polynomial there. Thus, the only practical activation functions that our result does not apply to are piecewise polynomials. Importantly, this means that activation functions can be freely chosen in a problem-dependent manner without loss of interpolation power.
Authors: Huiwen Wu, Xiaohan Li, Deyi Zhang, Xiaogang Xu, Jiafei Wu, Puning Zhao, Zhe Liu
Abstract: The success of current Large-Language Models (LLMs) hinges on extensive training data that is collected and stored centrally, called Centralized Learning (CL). However, such a collection manner poses a privacy threat, and one potential solution is Federated Learning (FL), which transfers gradients, not raw data, among clients. Unlike traditional networks, FL for LLMs incurs significant communication costs due to their tremendous parameters. This study introduces an innovative approach to compress gradients to improve communication efficiency during LLM FL, formulating the new FL pipeline named CG-FedLLM. This approach integrates an encoder on the client side to acquire the compressed gradient features and a decoder on the server side to reconstruct the gradients. We also developed a novel training strategy that comprises Temporal-ensemble Gradient-Aware Pre-training (TGAP) to identify characteristic gradients of the target model and Federated AutoEncoder-Involved Fine-tuning (FAF) to compress gradients adaptively. Extensive experiments confirm that our approach reduces communication costs and improves performance (e.g., average 3 points increment compared with traditional CL- and FL-based fine-tuning with LlaMA on a well-recognized benchmark, C-Eval). This improvement is because our encoder-decoder, trained via TGAP and FAF, can filter gradients while selectively preserving critical features. Furthermore, we present a series of experimental analyses focusing on the signal-to-noise ratio, compression rate, and robustness within this privacy-centric framework, providing insight into developing more efficient and secure LLMs.
Authors: Tom S\"uhr, Samira Samadi, Chiara Farronato
Abstract: Machine learning (ML) models are increasingly used in various applications, from recommendation systems in e-commerce to diagnosis prediction in healthcare. In this paper, we present a novel dynamic framework for thinking about the deployment of ML models in a performative, human-ML collaborative system. In our framework, the introduction of ML recommendations changes the data generating process of human decisions, which are only a proxy to the ground truth and which are then used to train future versions of the model. We show that this dynamic process in principle can converge to different stable points, i.e. where the ML model and the Human+ML system have the same performance. Some of these stable points are suboptimal with respect to the actual ground truth. We conduct an empirical user study with 1,408 participants to showcase this process. In the study, humans solve instances of the knapsack problem with the help of machine learning predictions. This is an ideal setting because we can see how ML models learn to imitate human decisions and how this learning process converges to a stable point. We find that for many levels of ML performance, humans can improve the ML predictions to dynamically reach an equilibrium performance that is around 92% of the maximum knapsack value. We also find that the equilibrium performance could be even higher if humans rationally followed the ML recommendations. Finally, we test whether monetary incentives can increase the quality of human decisions, but we fail to find any positive effect. Our results have practical implications for the deployment of ML models in contexts where human decisions may deviate from the indisputable ground truth.
Authors: Gergely Neu, Nneka Okolo
Abstract: We study offline Reinforcement Learning in large infinite-horizon discounted Markov Decision Processes (MDPs) when the reward and transition models are linearly realizable under a known feature map. Starting from the classic linear-program formulation of the optimal control problem in MDPs, we develop a new algorithm that performs a form of gradient ascent in the space of feature occupancies, defined as the expected feature vectors that can potentially be generated by executing policies in the environment. We show that the resulting simple algorithm satisfies strong computational and sample complexity guarantees, achieved under the least restrictive data coverage assumptions known in the literature. In particular, we show that the sample complexity of our method scales optimally with the desired accuracy level and depends on a weak notion of coverage that only requires the empirical feature covariance matrix to cover a single direction in the feature space (as opposed to covering a full subspace). Additionally, our method is easy to implement and requires no prior knowledge of the coverage ratio (or even an upper bound on it), which altogether make it the strongest known algorithm for this setting to date.
Authors: Hamidreza Eivazi, Mahyar Alikhani, Jendrik-Alexander Tr\"oger, Stefan Wittek, Stefan Hartmann, Andreas Rausch
Abstract: Multiscale problems are widely observed across diverse domains in physics and engineering. Translating these problems into numerical simulations and solving them using numerical schemes, e.g. the finite element method, is costly due to the demand of solving initial boundary-value problems at multiple scales. On the other hand, multiscale finite element computations are commended for their ability to integrate micro-structural properties into macroscopic computational analyses using homogenization techniques. Recently, neural operator-based surrogate models have shown trustworthy performance for solving a wide range of partial differential equations. In this work, we propose a hybrid method in which we utilize deep operator networks for surrogate modeling of the microscale physics. This allows us to embed the constitutive relations of the microscale into the model architecture and to predict microscale strains and stresses based on the prescribed macroscale strain inputs. Furthermore, numerical homogenization is carried out to obtain the macroscale quantities of interest. We apply the proposed approach to quasi-static problems of solid mechanics. The results demonstrate that our constitutive relations-aware DeepONet can yield accurate solutions even when being confronted with a restricted dataset during model development.
Authors: Nikita Kalinin, Christoph Lampert
Abstract: Current state-of-the-art methods for differentially private model training are based on matrix factorization techniques. However, these methods suffer from high computational overhead because they require numerically solving a demanding optimization problem to determine an approximately optimal factorization prior to the actual model training. In this work, we present a new matrix factorization approach, BSR, which overcomes this computational bottleneck. By exploiting properties of the standard matrix square root, BSR allows to efficiently handle also large-scale problems. For the key scenario of stochastic gradient descent with momentum and weight decay, we even derive analytical expressions for BSR that render the computational overhead negligible. We prove bounds on the approximation quality that hold both in the centralized and in the federated learning setting. Our numerical experiments demonstrate that models trained using BSR perform on par with the best existing methods, while completely avoiding their computational overhead.
Authors: Travis E. Gibson, Sawal Acharya, Anjali Parashar, Joseph E. Gaudio, Anurdha M. Annaswamy
Abstract: Gradient based optimization algorithms deployed in Machine Learning (ML) applications are often analyzed and compared by their convergence rates or regret bounds. While these rates and bounds convey valuable information they don't always directly translate to stability guarantees. Stability and similar concepts, like robustness, will become ever more important as we move towards deploying models in real-time and safety critical systems. In this work we build upon the results in Gaudio et al. 2021 and Moreu and Annaswamy 2022 for second order gradient descent when applied to explicitly time varying cost functions and provide more general stability guarantees. These more general results can aid in the design and certification of these optimization schemes so as to help ensure safe and reliable deployment for real-time learning applications. We also hope that the techniques provided here will stimulate and cross-fertilize the analysis that occurs on the same algorithms from the online learning and stochastic optimization communities.
Authors: Shifan Zhao (Carl), Jiaying Lu (Carl), Ji Yang (Carl), Edmond Chow, Yuanzhe Xi
Abstract: Gaussian Process Regression (GPR) is widely used in statistics and machine learning for prediction tasks requiring uncertainty measures. Its efficacy depends on the appropriate specification of the mean function, covariance kernel function, and associated hyperparameters. Severe misspecifications can lead to inaccurate results and problematic consequences, especially in safety-critical applications. However, a systematic approach to handle these misspecifications is lacking in the literature. In this work, we propose a general framework to address these issues. Firstly, we introduce a flexible two-stage GPR framework that separates mean prediction and uncertainty quantification (UQ) to prevent mean misspecification, which can introduce bias into the model. Secondly, kernel function misspecification is addressed through a novel automatic kernel search algorithm, supported by theoretical analysis, that selects the optimal kernel from a candidate set. Additionally, we propose a subsampling-based warm-start strategy for hyperparameter initialization to improve efficiency and avoid hyperparameter misspecification. With much lower computational cost, our subsampling-based strategy can yield competitive or better performance than training exclusively on the full dataset. Combining all these components, we recommend two GPR methods-exact and scalable-designed to match available computational resources and specific UQ requirements. Extensive evaluation on real-world datasets, including UCI benchmarks and a safety-critical medical case study, demonstrates the robustness and precision of our methods.
Authors: Jiajie Zhao, Zhiwei Bai, Yaoyu Zhang
Abstract: Overparameterized models like deep neural networks have the intriguing ability to recover target functions with fewer sampled data points than parameters (see arXiv:2307.08921). To gain insights into this phenomenon, we concentrate on a single-neuron target recovery scenario, offering a systematic examination of how initialization and sample size influence the performance of two-layer neural networks. Our experiments reveal that a smaller initialization scale is associated with improved generalization, and we identify a critical quantity called the "initial imbalance ratio" that governs training dynamics and generalization under small initialization, supported by theoretical proofs. Additionally, we empirically delineate two critical thresholds in sample size--termed the "optimistic sample size" and the "separation sample size"--that align with the theoretical frameworks established by (see arXiv:2307.08921 and arXiv:2309.00508). Our results indicate a transition in the model's ability to recover the target function: below the optimistic sample size, recovery is unattainable; at the optimistic sample size, recovery becomes attainable albeit with a set of initialization of zero measure. Upon reaching the separation sample size, the set of initialization that can successfully recover the target function shifts from zero to positive measure. These insights, derived from a simplified context, provide a perspective on the intricate yet decipherable complexities of perfect generalization in overparameterized neural networks.
Authors: Michael Kilgour, Jutta Rogal, Mark Tuckerman
Abstract: The point cloud is a flexible representation for a wide variety of data types, and is a particularly natural fit for the 3D conformations of molecules. Extant molecule embedding/representation schemes typically focus on internal degrees of freedom, ignoring the global 3D orientation. For tasks that depend on knowledge of both molecular conformation and 3D orientation, such as the generation of molecular dimers, clusters, or condensed phases, we require a representation which is provably complete in the types and positions of atomic nuclei and roto-inversion equivariant with respect to the input point cloud. We develop, train, and evaluate a new type of autoencoder, molecular O(3) encoding net (Mo3ENet), for multi-type point clouds, for which we propose a new reconstruction loss, capitalizing on a Gaussian mixture representation of the input and output point clouds. Mo3ENet is end-to-end equivariant, meaning the learned representation can be manipulated on O(3), a practical bonus for downstream learning tasks. An appropriately trained Mo3ENet latent space comprises a universal embedding for scalar and vector molecule property prediction tasks, as well as other downstream tasks incorporating the 3D molecular pose.
Authors: Wanghan Xu, Fenghua Ling, Wenlong Zhang, Tao Han, Hao Chen, Wanli Ouyang, Lei Bai
Abstract: Data-driven artificial intelligence (AI) models have made significant advancements in weather forecasting, particularly in medium-range and nowcasting. However, most data-driven weather forecasting models are black-box systems that focus on learning data mapping rather than fine-grained physical evolution in the time dimension. Consequently, the limitations in the temporal scale of datasets prevent these models from forecasting at finer time scales. This paper proposes a physics-AI hybrid model (i.e., WeatherGFT) which Generalizes weather forecasts to Finer-grained Temporal scales beyond training dataset. Specifically, we employ a carefully designed PDE kernel to simulate physical evolution on a small time scale (e.g., 300 seconds) and use a parallel neural networks with a learnable router for bias correction. Furthermore, we introduce a lead time-aware training framework to promote the generalization of the model at different lead times. The weight analysis of physics-AI modules indicates that physics conducts major evolution while AI performs corrections adaptively. Extensive experiments show that WeatherGFT trained on an hourly dataset, achieves state-of-the-art performance across multiple lead times and exhibits the capability to generalize 30-minute forecasts.
Authors: Nian Liu, Xiaoxin He, Thomas Laurent, Francesco Di Giovanni, Michael M. Bronstein, Xavier Bresson
Abstract: Spectral graph convolution, an important tool of data filtering on graphs, relies on two essential decisions; selecting spectral bases for signal transformation and parameterizing the kernel for frequency analysis. While recent techniques mainly focus on standard Fourier transform and vector-valued spectral functions, they fall short in flexibility to describe specific signal distribution for each node, and expressivity of spectral function. In this paper, we present a novel wavelet-based graph convolution network, namely WaveGC, which integrates multi-resolution spectral bases and a matrix-valued filter kernel. Theoretically, we establish that WaveGC can effectively capture and decouple short-range and long-range information, providing superior filtering flexibility, surpassing existing graph convolutional networks and graph Transformers (GTs). To instantiate WaveGC, we introduce a novel technique for learning general graph wavelets by separately combining odd and even terms of Chebyshev polynomials. This approach strictly satisfies wavelet admissibility criteria. Our numerical experiments showcase the capabilities of the new network. By replacing the Transformer part in existing architectures with WaveGC, we consistently observe improvements in both short-range and long-range tasks. This underscores the effectiveness of the proposed model in handling different scenarios. Our code is available at https://github.com/liun-online/WaveGC.
Authors: Xin Cheng, Xiuying Chen, Shuqi Li, Di Luo, Xun Wang, Dongyan Zhao, Rui Yan
Abstract: Time series prediction is crucial for understanding and forecasting complex dynamics in various domains, ranging from finance and economics to climate and healthcare. Based on Transformer architecture, one approach involves encoding multiple variables from the same timestamp into a single temporal token to model global dependencies. In contrast, another approach embeds the time points of individual series into separate variate tokens. The former method faces challenges in learning variate-centric representations, while the latter risks missing essential temporal information critical for accurate forecasting. In our work, we introduce GridTST, a model that combines the benefits of two approaches using innovative multi-directional attentions based on a vanilla Transformer. We regard the input time series data as a grid, where the $x$-axis represents the time steps and the $y$-axis represents the variates. A vertical slicing of this grid combines the variates at each time step into a \textit{time token}, while a horizontal slicing embeds the individual series across all time steps into a \textit{variate token}. Correspondingly, a \textit{horizontal attention mechanism} focuses on time tokens to comprehend the correlations between data at various time steps, while a \textit{vertical}, variate-aware \textit{attention} is employed to grasp multivariate correlations. This combination enables efficient processing of information across both time and variate dimensions, thereby enhancing the model's analytical strength. % We also integrate the patch technique, segmenting time tokens into subseries-level patches, ensuring that local semantic information is retained in the embedding. The GridTST model consistently delivers state-of-the-art performance across various real-world datasets.
Authors: Noam Koren, Kira Radinsky
Abstract: Multivariate time series forecasting is a pivotal task in several domains, including financial planning, medical diagnostics, and climate science. This paper presents the Neural Fourier Transform (NFT) algorithm, which combines multi-dimensional Fourier transforms with Temporal Convolutional Network layers to improve both the accuracy and interpretability of forecasts. The Neural Fourier Transform is empirically validated on fourteen diverse datasets, showing superior performance across multiple forecasting horizons and lookbacks, setting new benchmarks in the field. This work advances multivariate time series forecasting by providing a model that is both interpretable and highly predictive, making it a valuable tool for both practitioners and researchers. The code for this study is publicly available.
Authors: Kaelan Donatella, Samuel Duffield, Maxwell Aifer, Denis Melanson, Gavin Crooks, Patrick J. Coles
Abstract: Second-order training methods have better convergence properties than gradient descent but are rarely used in practice for large-scale training due to their computational overhead. This can be viewed as a hardware limitation (imposed by digital computers). Here we show that natural gradient descent (NGD), a second-order method, can have a similar computational complexity per iteration to a first-order method, when employing appropriate hardware. We present a new hybrid digital-analog algorithm for training neural networks that is equivalent to NGD in a certain parameter regime but avoids prohibitively costly linear system solves. Our algorithm exploits the thermodynamic properties of an analog system at equilibrium, and hence requires an analog thermodynamic computer. The training occurs in a hybrid digital-analog loop, where the gradient and Fisher information matrix (or any other positive semi-definite curvature matrix) are calculated at given time intervals while the analog dynamics take place. We numerically demonstrate the superiority of this approach over state-of-the-art digital first- and second-order training methods on classification tasks and language model fine-tuning tasks.
Authors: Li Meng, Morten Goodwin, Anis Yazidi, Paal Engelstad
Abstract: The expanding research on manifold-based self-supervised learning (SSL) builds on the manifold hypothesis, which suggests that the inherent complexity of high-dimensional data can be unraveled through lower-dimensional manifold embeddings. Capitalizing on this, DeepInfomax with an unbalanced atlas (DIM-UA) has emerged as a powerful tool and yielded impressive results for state representations in reinforcement learning. Meanwhile, Maximum Manifold Capacity Representation (MMCR) presents a new frontier for SSL by optimizing class separability via manifold compression. However, MMCR demands extensive input views, resulting in significant computational costs and protracted pre-training durations. Bridging this gap, we present an innovative integration of MMCR into existing SSL methods, incorporating a discerning regularization strategy that enhances the lower bound of mutual information. We also propose a novel state representation learning method extending DIM-UA, embedding a nuclear norm loss to enforce manifold consistency robustly. On experimentation with the Atari Annotated RAM Interface, our method improves DIM-UA significantly with the same number of target encoding dimensions. The mean F1 score averaged over categories is 78% compared to 75% of DIM-UA. There are also compelling gains when implementing SimCLR and Barlow Twins. This supports our SSL innovation as a paradigm shift, enabling more nuanced high-dimensional data representations.
Authors: Jiuqi Wang, Ethan Blaser, Hadi Daneshmand, Shangtong Zhang
Abstract: In-context learning refers to the learning ability of a model during inference time without adapting its parameters. The input (i.e., prompt) to the model (e.g., transformers) consists of both a context (i.e., instance-label pairs) and a query instance. The model is then able to output a label for the query instance according to the context during inference. A possible explanation for in-context learning is that the forward pass of (linear) transformers implements iterations of gradient descent on the instance-label pairs in the context. In this paper, we prove by construction that transformers can also implement temporal difference (TD) learning in the forward pass, a phenomenon we refer to as in-context TD. We demonstrate the emergence of in-context TD after training the transformer with a multi-task TD algorithm, accompanied by theoretical analysis. Furthermore, we prove that transformers are expressive enough to implement many other policy evaluation algorithms in the forward pass, including residual gradient, TD with eligibility trace, and average-reward TD.
Authors: Vahid Jebraeeli, Bo Jiang, Derya Cansever, Hamid Krim
Abstract: In the era of big data, the sheer volume and complexity of datasets pose significant challenges in machine learning, particularly in image processing tasks. This paper introduces an innovative Autoencoder-based Dataset Condensation Model backed by Koopman operator theory that effectively packs large datasets into compact, information-rich representations. Inspired by the predictive coding mechanisms of the human brain, our model leverages a novel approach to encode and reconstruct data, maintaining essential features and label distributions. The condensation process utilizes an autoencoder neural network architecture, coupled with Optimal Transport theory and Wasserstein distance, to minimize the distributional discrepancies between the original and synthesized datasets. We present a two-stage implementation strategy: first, condensing the large dataset into a smaller synthesized subset; second, evaluating the synthesized data by training a classifier and comparing its performance with a classifier trained on an equivalent subset of the original data. Our experimental results demonstrate that the classifiers trained on condensed data exhibit comparable performance to those trained on the original datasets, thus affirming the efficacy of our condensation model. This work not only contributes to the reduction of computational resources but also paves the way for efficient data handling in constrained environments, marking a significant step forward in data-efficient machine learning.
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 on how to train 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, while architectural details (aspect ratio and number of heads) have 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 relations with respect to parameter count, dataset size, and training compute, spanning five orders of magnitude.
Authors: Xuyang Ge, Fukang Zhu, Wentao Shu, Junxuan Wang, Zhengfu He, Xipeng Qiu
Abstract: Circuit analysis of any certain model behavior is a central task in mechanistic interpretability. We introduce our circuit discovery pipeline with sparse autoencoders (SAEs) and a variant called skip SAEs. With these two modules inserted into the model, the model's computation graph with respect to OV and MLP circuits becomes strictly linear. Our methods do not require linear approximation to compute the causal effect of each node. This fine-grained graph enables identifying both end-to-end and local circuits accounting for either logits or intermediate features. We can scalably apply this pipeline with a technique called Hierarchical Attribution. We analyze three kind of circuits in GPT2-Small, namely bracket, induction and Indirect Object Identification circuits. Our results reveal new findings underlying existing discoveries.
Authors: Dingling Yao, Caroline Muller, Francesco Locatello
Abstract: Causal representation learning promises to extend causal models to hidden causal variables from raw entangled measurements. However, most progress has focused on proving identifiability results in different settings, and we are not aware of any successful real-world application. At the same time, the field of dynamical systems benefited from deep learning and scaled to countless applications but does not allow parameter identification. In this paper, we draw a clear connection between the two and their key assumptions, allowing us to apply identifiable methods developed in causal representation learning to dynamical systems. At the same time, we can leverage scalable differentiable solvers developed for differential equations to build models that are both identifiable and practical. Overall, we learn explicitly controllable models that isolate the trajectory-specific parameters for further downstream tasks such as out-of-distribution classification or treatment effect estimation. We experiment with a wind simulator with partially known factors of variation. We also apply the resulting model to real-world climate data and successfully answer downstream causal questions in line with existing literature on climate change.
Authors: Rui Sun, Haoran Duan, Jiahua Dong, Varun Ojha, Tejal Shah, Rajiv Ranjan
Abstract: We introduce a rehearsal-free federated domain incremental learning framework, RefFiL, based on a global prompt-sharing paradigm to alleviate catastrophic forgetting challenges in federated domain-incremental learning, where unseen domains are continually learned. Typical methods for mitigating forgetting, such as the use of additional datasets and the retention of private data from earlier tasks, are not viable in federated learning (FL) due to devices' limited resources. Our method, RefFiL, addresses this by learning domain-invariant knowledge and incorporating various domain-specific prompts from the domains represented by different FL participants. A key feature of RefFiL is the generation of local fine-grained prompts by our domain adaptive prompt generator, which effectively learns from local domain knowledge while maintaining distinctive boundaries on a global scale. We also introduce a domain-specific prompt contrastive learning loss that differentiates between locally generated prompts and those from other domains, enhancing RefFiL's precision and effectiveness. Compared to existing methods, RefFiL significantly alleviates catastrophic forgetting without requiring extra memory space, making it ideal for privacy-sensitive and resource-constrained devices.
Authors: Yiran Qiao, Xiang Ao, Yang Liu, Jiarong Xu, Xiaoqian Sun, Qing He
Abstract: Recent prevailing works on graph machine learning typically follow a similar methodology that involves designing advanced variants of graph neural networks (GNNs) to maintain the superior performance of GNNs on different graphs. In this paper, we aim to streamline the GNN design process and leverage the advantages of Large Language Models (LLMs) to improve the performance of GNNs on downstream tasks. We formulate a new paradigm, coined "LLMs-as-Consultants," which integrates LLMs with GNNs in an interactive manner. A framework named LOGIN (LLM Consulted GNN training) is instantiated, empowering the interactive utilization of LLMs within the GNN training process. First, we attentively craft concise prompts for spotted nodes, carrying comprehensive semantic and topological information, and serving as input to LLMs. Second, we refine GNNs by devising a complementary coping mechanism that utilizes the responses from LLMs, depending on their correctness. We empirically evaluate the effectiveness of LOGIN on node classification tasks across both homophilic and heterophilic graphs. The results illustrate that even basic GNN architectures, when employed within the proposed LLMs-as-Consultants paradigm, can achieve comparable performance to advanced GNNs with intricate designs. Our codes are available at https://github.com/QiaoYRan/LOGIN.
Authors: Jiali Cui, Tian Han
Abstract: This work studies the learning problem of the energy-based prior model and the multi-layer generator model. The multi-layer generator model, which contains multiple layers of latent variables organized in a top-down hierarchical structure, typically assumes the Gaussian prior model. Such a prior model can be limited in modelling expressivity, which results in a gap between the generator posterior and the prior model, known as the prior hole problem. Recent works have explored learning the energy-based (EBM) prior model as a second-stage, complementary model to bridge the gap. However, the EBM defined on a multi-layer latent space can be highly multi-modal, which makes sampling from such marginal EBM prior challenging in practice, resulting in ineffectively learned EBM. To tackle the challenge, we propose to leverage the diffusion probabilistic scheme to mitigate the burden of EBM sampling and thus facilitate EBM learning. Our extensive experiments demonstrate a superior performance of our diffusion-learned EBM prior on various challenging tasks.
Authors: Zhenyu Pan, Yoonsung Jeong, Xiaoda Liu, Han Liu
Abstract: We propose a heterogeneous graph mamba network (HGMN) as the first exploration in leveraging the selective state space models (SSSMs) for heterogeneous graph learning. Compared with the literature, our HGMN overcomes two major challenges: (i) capturing long-range dependencies among heterogeneous nodes and (ii) adapting SSSMs to heterogeneous graph data. Our key contribution is a general graph architecture that can solve heterogeneous nodes in real-world scenarios, followed an efficient flow. Methodologically, we introduce a two-level efficient tokenization approach that first captures long-range dependencies within identical node types, and subsequently across all node types. Empirically, we conduct comparisons between our framework and 19 state-of-the-art methods on the heterogeneous benchmarks. The extensive comparisons demonstrate that our framework outperforms other methods in both the accuracy and efficiency dimensions.
Authors: Cornelius Emde, Francesco Pinto, Thomas Lukasiewicz, Philip H. S. Torr, Adel Bibi
Abstract: Since neural classifiers are known to be sensitive to adversarial perturbations that alter their accuracy, \textit{certification methods} have been developed to provide provable guarantees on the insensitivity of their predictions to such perturbations. Furthermore, in safety-critical applications, the frequentist interpretation of the confidence of a classifier (also known as model calibration) can be of utmost importance. This property can be measured via the Brier score or the expected calibration error. We show that attacks can significantly harm calibration, and thus propose certified calibration as worst-case bounds on calibration under adversarial perturbations. Specifically, we produce analytic bounds for the Brier score and approximate bounds via the solution of a mixed-integer program on the expected calibration error. Finally, we propose novel calibration attacks and demonstrate how they can improve model calibration through \textit{adversarial calibration training}.
Authors: Xingtong Yu, Chang Zhou, Yuan Fang, Xinming Zhang
Abstract: Given the ubiquity of graph data, it is intriguing to ask: Is it possible to train a graph foundation model on a broad range of graph data across diverse domains? A major hurdle toward this goal lies in the fact that graphs from different domains often exhibit profoundly divergent characteristics. Although there have been some initial efforts in integrating multi-domain graphs for pre-training, they primarily rely on textual descriptions to align the graphs, limiting their application to text-attributed graphs. Moreover, different source domains may conflict or interfere with each other, and their relevance to the target domain can vary significantly. To address these issues, we propose MDGPT, a text free Multi-Domain Graph Pre-Training and adaptation framework designed to exploit multi-domain knowledge for graph learning. First, we propose a set of domain tokens to to align features across source domains for synergistic pre-training. Second, we propose a dual prompts, consisting of a unifying prompt and a mixing prompt, to further adapt the target domain with unified multi-domain knowledge and a tailored mixture of domain-specific knowledge. Finally, we conduct extensive experiments involving six public datasets to evaluate and analyze MDGPT, which outperforms prior art by up to 37.9%.
Authors: Xingtong Yu, Zhenghao Liu, Yuan Fang, Xinming Zhang
Abstract: Dynamic graphs are pervasive in the real world, modeling dynamic relations between objects across various fields. For dynamic graph modeling, dynamic graph neural networks (DGNNs) have emerged as a mainstream technique, which are generally pre-trained on the link prediction task, leaving a significant gap from the objectives of downstream tasks such as node classification. To bridge the gap, prompt-based learning has gained traction on graphs. However, existing efforts focus on static graphs, neglecting the evolution of dynamic graphs. In this paper, we propose DyGPrompt, a novel pre-training and prompting framework for dynamic graph modeling. First, we design dual prompts to address the gap in both task objectives and dynamic variations across pre-training and downstream tasks. Second, we recognize that node and time features mutually characterize each other, and propose dual condition-nets to model the evolving node-time patterns in downstream tasks. Finally, we thoroughly evaluate and analyze DyGPrompt through extensive experiments on three public datasets.
Authors: Aditya Agrawal, Matthew Hedlund, Blake Hechtman
Abstract: eXmY is a novel data type for quantization of ML models. It supports both arbitrary bit widths and arbitrary integer and floating point formats. For example, it seamlessly supports 3, 5, 6, 7, 9 bit formats. For a specific bit width, say 7, it defines all possible formats e.g. e0m6, e1m5, e2m4, e3m3, e4m2, e5m1 and e6m0. For non-power of two bit widths e.g. 5, 6, 7, we created a novel encoding and decoding scheme which achieves perfect compression, byte addressability and is amenable to sharding and vector processing. We implemented libraries for emulation, encoding and decoding tensors and checkpoints in C++, TensorFlow, JAX and PAX. For optimal performance, the codecs use SIMD instructions on CPUs and vector instructions on TPUs and GPUs. eXmY is also a technique and exploits the statistical distribution of exponents in tensors. It can be used to quantize weights, static and dynamic activations, gradients, master weights and optimizer state. It can reduce memory (CPU DRAM and accelerator HBM), network and disk storage and transfers. It can increase multi tenancy and accelerate compute. eXmY has been deployed in production for almost 2 years.
Authors: Chaoyang Wang, Pengzhi Cheng, Jingze Li, Weiwei Sun
Abstract: Deep neural networks based on reinforcement learning (RL) for solving combinatorial optimization (CO) problems are developing rapidly and have shown a tendency to approach or even outperform traditional solvers. However, existing methods overlook an important distinction: CO problems differ from other traditional problems in that they focus solely on the optimal solution provided by the model within a specific length of time, rather than considering the overall quality of all solutions generated by the model. In this paper, we propose Leader Reward and apply it during two different training phases of the Policy Optimization with Multiple Optima (POMO) model to enhance the model's ability to generate optimal solutions. This approach is applicable to a variety of CO problems, such as the Traveling Salesman Problem (TSP), the Capacitated Vehicle Routing Problem (CVRP), and the Flexible Flow Shop Problem (FFSP), but also works well with other POMO-based models or inference phase's strategies. We demonstrate that Leader Reward greatly improves the quality of the optimal solutions generated by the model. Specifically, we reduce the POMO's gap to the optimum by more than 100 times on TSP100 with almost no additional computational overhead.
Authors: Fangzhao Zhang, Mert Pilanci
Abstract: Recent developments in Parameter-Efficient Fine-Tuning (PEFT) methods for pretrained deep neural networks have captured widespread interest. In this work, we study the enhancement of current PEFT methods by incorporating the spectral information of pretrained weight matrices into the fine-tuning procedure. We investigate two spectral adaptation mechanisms, namely additive tuning and orthogonal rotation of the top singular vectors, both are done via first carrying out Singular Value Decomposition (SVD) of pretrained weights and then fine-tuning the top spectral space. We provide a theoretical analysis of spectral fine-tuning and show that our approach improves the rank capacity of low-rank adapters given a fixed trainable parameter budget. We show through extensive experiments that the proposed fine-tuning model enables better parameter efficiency and tuning performance as well as benefits multi-adapter fusion. The code will be open-sourced for reproducibility.
Authors: Sang Keun Choe, Hwijeen Ahn, Juhan Bae, Kewen Zhao, Minsoo Kang, Youngseog Chung, Adithya Pratapa, Willie Neiswanger, Emma Strubell, Teruko Mitamura, Jeff Schneider, Eduard Hovy, Roger Grosse, Eric Xing
Abstract: Large language models (LLMs) are trained on a vast amount of human-written data, but data providers often remain uncredited. In response to this issue, data valuation (or data attribution), which quantifies the contribution or value of each data to the model output, has been discussed as a potential solution. Nevertheless, applying existing data valuation methods to recent LLMs and their vast training datasets has been largely limited by prohibitive compute and memory costs. In this work, we focus on influence functions, a popular gradient-based data valuation method, and significantly improve its scalability with an efficient gradient projection strategy called LoGra that leverages the gradient structure in backpropagation. We then provide a theoretical motivation of gradient projection approaches to influence functions to promote trust in the data valuation process. Lastly, we lower the barrier to implementing data valuation systems by introducing LogIX, a software package that can transform existing training code into data valuation code with minimal effort. In our data valuation experiments, LoGra achieves competitive accuracy against more expensive baselines while showing up to 6,500x improvement in throughput and 5x reduction in GPU memory usage when applied to Llama3-8B-Instruct and the 1B-token dataset.
Authors: Leo Feng, Frederick Tung, Hossein Hajimirsadeghi, Mohamed Osama Ahmed, Yoshua Bengio, Greg Mori
Abstract: The advent of Transformers marked a significant breakthrough in sequence modelling, providing a highly performant architecture capable of leveraging GPU parallelism. However, Transformers are computationally expensive at inference time, limiting their applications, particularly in low-resource settings (e.g., mobile and embedded devices). Addressing this, we (1) begin by showing that attention can be viewed as a special Recurrent Neural Network (RNN) with the ability to compute its \textit{many-to-one} RNN output efficiently. We then (2) show that popular attention-based models such as Transformers can be viewed as RNN variants. However, unlike traditional RNNs (e.g., LSTMs), these models cannot be updated efficiently with new tokens, an important property in sequence modelling. Tackling this, we (3) introduce a new efficient method of computing attention's \textit{many-to-many} RNN output based on the parallel prefix scan algorithm. Building on the new attention formulation, we (4) introduce \textbf{Aaren}, an attention-based module that can not only (i) be trained in parallel (like Transformers) but also (ii) be updated efficiently with new tokens, requiring only constant memory for inferences (like traditional RNNs). Empirically, we show Aarens achieve comparable performance to Transformers on $38$ datasets spread across four popular sequential problem settings: reinforcement learning, event forecasting, time series classification, and time series forecasting tasks while being more time and memory-efficient.
Authors: Priscylla Silva, Claudio T. Silva, Luis Gustavo Nonato
Abstract: Machine learning and deep learning models are pivotal in educational contexts, particularly in predicting student success. Despite their widespread application, a significant gap persists in comprehending the factors influencing these models' predictions, especially in explainability within education. This work addresses this gap by employing nine distinct explanation methods and conducting a comprehensive analysis to explore the correlation between the agreement among these methods in generating explanations and the predictive model's performance. Applying Spearman's correlation, our findings reveal a very strong correlation between the model's performance and the agreement level observed among the explanation methods.
Authors: Sakshi Choudhary, Sai Aparna Aketi, Kaushik Roy
Abstract: Decentralized training enables learning with distributed datasets generated at different locations without relying on a central server. In realistic scenarios, the data distribution across these sparsely connected learning agents can be significantly heterogeneous, leading to local model over-fitting and poor global model generalization. Another challenge is the high communication cost of training models in such a peer-to-peer fashion without any central coordination. In this paper, we jointly tackle these two-fold practical challenges by proposing SADDLe, a set of sharpness-aware decentralized deep learning algorithms. SADDLe leverages Sharpness-Aware Minimization (SAM) to seek a flatter loss landscape during training, resulting in better model generalization as well as enhanced robustness to communication compression. We present two versions of our approach and conduct extensive experiments to show that SADDLe leads to 1-20% improvement in test accuracy compared to other existing techniques. Additionally, our proposed approach is robust to communication compression, with an average drop of only 1% in the presence of up to 4x compression.
Authors: Ye Yuan, Youyuan Zhang, Can Chen, Haolun Wu, Zixuan Li, Jianmo Li, James J. Clark, Xue Liu
Abstract: Offline model-based optimization (MBO) aims to maximize a black-box objective function using only an offline dataset of designs and scores. A prevalent approach involves training a conditional generative model on existing designs and their associated scores, followed by the generation of new designs conditioned on higher target scores. However, these newly generated designs often underperform due to the lack of high-scoring training data. To address this challenge, we introduce a novel method, Design Editing for Offline Model-based Optimization (DEMO), which consists of two phases. In the first phase, termed pseudo-target distribution generation, we apply gradient ascent on the offline dataset using a trained surrogate model, producing a synthetic dataset where the predicted scores serve as new labels. A conditional diffusion model is subsequently trained on this synthetic dataset to capture a pseudo-target distribution, which enhances the accuracy of the conditional diffusion model in generating higher-scoring designs. Nevertheless, the pseudo-target distribution is susceptible to noise stemming from inaccuracies in the surrogate model, consequently predisposing the conditional diffusion model to generate suboptimal designs. We hence propose the second phase, existing design editing, to directly incorporate the high-scoring features from the offline dataset into design generation. In this phase, top designs from the offline dataset are edited by introducing noise, which are subsequently refined using the conditional diffusion model to produce high-scoring designs. Overall, high-scoring designs begin with inheriting high-scoring features from the second phase and are further refined with a more accurate conditional diffusion model in the first phase. Empirical evaluations on 7 offline MBO tasks show that DEMO outperforms various baseline methods.
Authors: Hanyu Zeng, Pengfei Zhou, Xin Lou, Zhen Wei Ng, David K. Y. Yau, Marianne Winslett
Abstract: Modern power grids are undergoing significant changes driven by information and communication technologies (ICTs), and evolving into smart grids with higher efficiency and lower operation cost. Using ICTs, however, comes with an inevitable side effect that makes the power system more vulnerable to cyber attacks. In this paper, we propose a self-supervised learning-based framework to detect and identify various types of cyber attacks. Different from existing approaches, the proposed framework does not rely on large amounts of well-curated labeled data but makes use of the massive unlabeled data in the wild which are easily accessible. Specifically, the proposed framework adopts the BERT model from the natural language processing domain and learns generalizable and effective representations from the unlabeled sensing data, which capture the distinctive patterns of different attacks. Using the learned representations, together with a very small amount of labeled data, we can train a task-specific classifier to detect various types of cyber attacks. Meanwhile, real-world training datasets are usually imbalanced, i.e., there are only a limited number of data samples containing attacks. In order to cope with such data imbalance, we propose a new loss function, separate mean error (SME), which pays equal attention to the large and small categories to better train the model. Experiment results in a 5-area power grid system with 37 buses demonstrate the superior performance of our framework over existing approaches, especially when a very limited portion of labeled data are available, e.g., as low as 0.002\%. We believe such a framework can be easily adopted to detect a variety of cyber attacks in other power grid scenarios.
Authors: Chenhui Xu, Fuxun Yu, Maoliang Li, Zihao Zheng, Zirui Xu, Jinjun Xiong, Xiang Chen
Abstract: The past neural network design has largely focused on feature representation space dimension and its capacity scaling (e.g., width, depth), but overlooked the feature interaction space scaling. Recent advancements have shown shifted focus towards element-wise multiplication to facilitate higher-dimensional feature interaction space for better information transformation. Despite this progress, multiplications predominantly capture low-order interactions, thus remaining confined to a finite-dimensional interaction space. To transcend this limitation, classic kernel methods emerge as a promising solution to engage features in an infinite-dimensional space. We introduce InfiNet, a model architecture that enables feature interaction within an infinite-dimensional space created by RBF kernel. Our experiments reveal that InfiNet achieves new state-of-the-art, owing to its capability to leverage infinite-dimensional interactions, significantly enhancing model performance.
Authors: Annan Yu, Michael W. Mahoney, N. Benjamin Erichson
Abstract: State-space models (SSMs) that utilize linear, time-invariant (LTI) systems are known for their effectiveness in learning long sequences. However, these models typically face several challenges: (i) they require specifically designed initializations of the system matrices to achieve state-of-the-art performance, (ii) they require training of state matrices on a logarithmic scale with very small learning rates to prevent instabilities, and (iii) they require the model to have exponentially decaying memory in order to ensure an asymptotically stable LTI system. To address these issues, we view SSMs through the lens of Hankel operator theory, which provides us with a unified theory for the initialization and training of SSMs. Building on this theory, we develop a new parameterization scheme, called HOPE, for LTI systems that utilizes Markov parameters within Hankel operators. This approach allows for random initializations of the LTI systems and helps to improve training stability, while also provides the SSMs with non-decaying memory capabilities. Our model efficiently implements these innovations by nonuniformly sampling the transfer functions of LTI systems, and it requires fewer parameters compared to canonical SSMs. When benchmarked against HiPPO-initialized models such as S4 and S4D, an SSM parameterized by Hankel operators demonstrates improved performance on Long-Range Arena (LRA) tasks. Moreover, we use a sequential CIFAR-10 task with padded noise to empirically corroborate our SSM's long memory capacity.
Authors: Paul Mayer, Lorenzo Luzi, Ali Siahkoohi, Don H. Johnson, Richard G. Baraniuk
Abstract: We propose autophagy penalized likelihood estimation (PLE), an unbiased alternative to maximum likelihood estimation (MLE) which is more fair and less susceptible to model autophagy disorder (madness). Model autophagy refers to models trained on their own output; PLE ensures the statistics of these outputs coincide with the data statistics. This enables PLE to be statistically unbiased in certain scenarios where MLE is biased. When biased, MLE unfairly penalizes minority classes in unbalanced datasets and exacerbates the recently discovered issue of self-consuming generative modeling. Theoretical and empirical results show that 1) PLE is more fair to minority classes and 2) PLE is more stable in a self-consumed setting. Furthermore, we provide a scalable and portable implementation of PLE with a hypernetwork framework, allowing existing deep learning architectures to be easily trained with PLE. Finally, we show PLE can bridge the gap between Bayesian and frequentist paradigms in statistics.
Authors: Prashant Bhat, Bharath Renjith, Elahe Arani, Bahram Zonooz
Abstract: Continual learning (CL) remains a significant challenge for deep neural networks, as it is prone to forgetting previously acquired knowledge. Several approaches have been proposed in the literature, such as experience rehearsal, regularization, and parameter isolation, to address this problem. Although almost zero forgetting can be achieved in task-incremental learning, class-incremental learning remains highly challenging due to the problem of inter-task class separation. Limited access to previous task data makes it difficult to discriminate between classes of current and previous tasks. To address this issue, we propose `Attention-Guided Incremental Learning' (AGILE), a novel rehearsal-based CL approach that incorporates compact task attention to effectively reduce interference between tasks. AGILE utilizes lightweight, learnable task projection vectors to transform the latent representations of a shared task attention module toward task distribution. Through extensive empirical evaluation, we show that AGILE significantly improves generalization performance by mitigating task interference and outperforming rehearsal-based approaches in several CL scenarios. Furthermore, AGILE can scale well to a large number of tasks with minimal overhead while remaining well-calibrated with reduced task-recency bias.
Authors: Jad Mounayer, Sebastian Rodriguez, Chady Ghnatios, Charbel Farhat, Francisco Chinesta
Abstract: The efficiency of classical Autoencoders (AEs) is limited in many practical situations. When the latent space is reduced through autoencoders, feature extraction becomes possible. However, overfitting is a common issue, leading to ``holes'' in AEs' interpolation capabilities. On the other hand, increasing the latent dimension results in a better approximation with fewer non-linearly coupled features (e.g., Koopman theory or kPCA), but it doesn't necessarily lead to dimensionality reduction, which makes feature extraction problematic. As a result, interpolating using Autoencoders gets harder. In this work, we introduce the Rank Reduction Autoencoder (RRAE), an autoencoder with an enlarged latent space, which is constrained to have a small pre-specified number of dominant singular values (i.e., low-rank). The latent space of RRAEs is large enough to enable accurate predictions while enabling feature extraction. As a result, the proposed autoencoder features a minimal rank linear latent space. To achieve what's proposed, two formulations are presented, a strong and a weak one, that build a reduced basis accurately representing the latent space. The first formulation consists of a truncated SVD in the latent space, while the second one adds a penalty term to the loss function. We show the efficiency of our formulations by using them for interpolation tasks and comparing the results to other autoencoders on both synthetic data and MNIST.
Authors: Yu Shee, Haote Li, Anton Morgunov, Victor Batista
Abstract: Traditional computer-aided synthesis planning (CASP) methods rely on iterative single-step predictions, leading to exponential search space growth that limits efficiency and scalability. We introduce a transformer-based model that directly generates multi-step synthetic routes as a single string by conditionally predicting each molecule based on all preceding ones. The model accommodates specific conditions such as the desired number of steps and starting materials, outperforming state-of-the-art methods on the PaRoutes dataset with a 2.2x improvement in Top-1 accuracy on the n$_1$ test set and a 3.3x improvement on the n$_5$ test set. It also successfully predicts routes for FDA-approved drugs not included in the training data, showcasing its generalization capabilities. While the current suboptimal diversity of the training set may impact performance on less common reaction types, our approach presents a promising direction towards fully automated retrosynthetic planning.
Authors: Robert Wang, Aseem Baranwal, Kimon Fountoulakis
Abstract: Machine learning for node classification on graphs is a prominent area driven by applications such as recommendation systems. State-of-the-art models often use multiple graph convolutions on the data, as empirical evidence suggests they can enhance performance. However, it has been shown empirically and theoretically, that too many graph convolutions can degrade performance significantly, a phenomenon known as oversmoothing. In this paper, we provide a rigorous theoretical analysis, based on the contextual stochastic block model (CSBM), of the performance of vanilla graph convolution from which we remove the principal eigenvector to avoid oversmoothing. We perform a spectral analysis for $k$ rounds of corrected graph convolutions, and we provide results for partial and exact classification. For partial classification, we show that each round of convolution can reduce the misclassification error exponentially up to a saturation level, after which performance does not worsen. For exact classification, we show that the separability threshold can be improved exponentially up to $O({\log{n}}/{\log\log{n}})$ corrected convolutions.
Authors: Murad Tukan, Loay Mualem, Moran Feldman
Abstract: Non-monotone constrained submodular maximization plays a crucial role in various machine learning applications. However, existing algorithms often struggle with a trade-off between approximation guarantees and practical efficiency. The current state-of-the-art is a recent $0.401$-approximation algorithm, but its computational complexity makes it highly impractical. The best practical algorithms for the problem only guarantee $1/e$-approximation. In this work, we present a novel algorithm for submodular maximization subject to a cardinality constraint that combines a guarantee of $0.385$-approximation with a low and practical query complexity of $O(n+k^2)$. Furthermore, we evaluate the empirical performance of our algorithm in experiments based on various machine learning applications, including Movie Recommendation, Image Summarization, and more. These experiments demonstrate the efficacy of our approach.
Authors: Dan Kalifa, Uriel Singer, Ido Guy, Guy D. Rosin, Kira Radinsky
Abstract: Consumer demand forecasting is of high importance for many e-commerce applications, including supply chain optimization, advertisement placement, and delivery speed optimization. However, reliable time series sales forecasting for e-commerce is difficult, especially during periods with many anomalies, as can often happen during pandemics, abnormal weather, or sports events. Although many time series algorithms have been applied to the task, prediction during anomalies still remains a challenge. In this work, we hypothesize that leveraging external knowledge found in world events can help overcome the challenge of prediction under anomalies. We mine a large repository of 40 years of world events and their textual representations. Further, we present a novel methodology based on transformers to construct an embedding of a day based on the relations of the day's events. Those embeddings are then used to forecast future consumer behavior. We empirically evaluate the methods over a large e-commerce products sales dataset, extracted from eBay, one of the world's largest online marketplaces. We show over numerous categories that our method outperforms state-of-the-art baselines during anomalies.
Authors: Sifan Wang, Jacob H Seidman, Shyam Sankaran, Hanwen Wang, George J. Pappas, Paris Perdikaris
Abstract: Operator learning is an emerging area of machine learning which aims to learn mappings between infinite dimensional function spaces. Here we uncover a connection between operator learning architectures and conditioned neural fields from computer vision, providing a unified perspective for examining differences between popular operator learning models. We find that many commonly used operator learning models can be viewed as neural fields with conditioning mechanisms restricted to point-wise and/or global information. Motivated by this, we propose the Continuous Vision Transformer (CViT), a novel neural operator architecture that employs a vision transformer encoder and uses cross-attention to modulate a base field constructed with a trainable grid-based positional encoding of query coordinates. Despite its simplicity, CViT achieves state-of-the-art results across challenging benchmarks in climate modeling and fluid dynamics. Our contributions can be viewed as a first step towards adapting advanced computer vision architectures for building more flexible and accurate machine learning models in physical sciences.
Authors: Edoardo Fazzari, Donato Romano, Fabrizio Falchi, Cesare Stefanini
Abstract: Animal behavior serves as a reliable indicator of the adaptation of organisms to their environment and their overall well-being. Through rigorous observation of animal actions and interactions, researchers and observers can glean valuable insights into diverse facets of their lives, encompassing health, social dynamics, ecological relationships, and neuroethological dimensions. Although state-of-the-art deep learning models have demonstrated remarkable accuracy in classifying various forms of animal data, their adoption in animal behavior studies remains limited. This survey article endeavors to comprehensively explore deep learning architectures and strategies applied to the identification of animal behavior, spanning auditory, visual, and audiovisual methodologies. Furthermore, the manuscript scrutinizes extant animal behavior datasets, offering a detailed examination of the principal challenges confronting this research domain. The article culminates in a comprehensive discussion of key research directions within deep learning that hold potential for advancing the field of animal behavior studies.
Authors: Yan Zhao, Amy Otteson
Abstract: Enrollment projection is a critical aspect of university management, guiding decisions related to resource allocation and revenue forecasting. However, despite its importance, there remains a lack of transparency regarding the methodologies utilized by many institutions. This paper presents an innovative approach to enrollment projection using Markov Chain modeling, drawing upon a case study conducted at Eastern Michigan University (EMU). Markov Chain modeling emerges as a promising approach for enrollment projection, offering precise predictions based on historical trends. This paper outlines the implementation of Enhanced Markov Chain modeling at EMU, detailing the methodology used to compute transition probabilities and evaluate model performance. Despite challenges posed by external uncertainties such as the COVID-19 pandemic, Markov Chain modeling has demonstrated impressive accuracy, with an average difference of less than 1 percent between predicted and actual enrollments. The paper concludes with a discussion of future directions and opportunities for collaboration among institutions.
Authors: Qiuyi Chen, Panagiotis Tsilifis, Mark Fuge
Abstract: Solving inverse problems in scientific and engineering fields has long been intriguing and holds great potential for many applications, yet most techniques still struggle to address issues such as high dimensionality, nonlinearity and model uncertainty inherent in these problems. Recently, generative models such as Generative Adversarial Networks (GANs) have shown great potential in approximating complex high dimensional conditional distributions and have paved the way for characterizing posterior densities in Bayesian inverse problems, yet the problems' high dimensionality and high nonlinearity often impedes the model's training. In this paper we show how to tackle these issues with Least Volume--a novel unsupervised nonlinear dimension reduction method--that can learn to represent the given datasets with the minimum number of latent variables while estimating their intrinsic dimensions. Once the low dimensional latent spaces are identified, efficient and accurate training of conditional generative models becomes feasible, resulting in a latent conditional GAN framework for posterior inference. We demonstrate the power of the proposed methodology on a variety of applications including inversion of parameters in systems of ODEs and high dimensional hydraulic conductivities in subsurface flow problems, and reveal the impact of the observables' and unobservables' intrinsic dimensions on inverse problems.
Authors: Juan D. Pinto, Luc Paquette
Abstract: The challenge of creating interpretable models has been taken up by two main research communities: ML researchers primarily focused on lower-level explainability methods that suit the needs of engineers, and HCI researchers who have more heavily emphasized user-centered approaches often based on participatory design methods. This paper reviews how these communities have evaluated interpretability, identifying overlaps and semantic misalignments. We propose moving towards a unified framework of evaluation criteria and lay the groundwork for such a framework by articulating the relationships between existing criteria. We argue that explanations serve as mediators between models and stakeholders, whether for intrinsically interpretable models or opaque black-box models analyzed via post-hoc techniques. We further argue that useful explanations require both faithfulness and intelligibility. Explanation plausibility is a prerequisite for intelligibility, while stability is a prerequisite for explanation faithfulness. We illustrate these criteria, as well as specific evaluation methods, using examples from an ongoing study of an interpretable neural network for predicting a particular learner behavior.
Authors: Ling Han, Hao Huang, Dustin Scheinost, Mary-Anne Hartley, Mar\'ia Rodr\'iguez Mart\'inez
Abstract: Effective adaptation to distribution shifts in training data is pivotal for sustaining robustness in neural networks, especially when removing specific biases or outdated information, a process known as machine unlearning. Traditional approaches typically assume that data variations are random, which makes it difficult to adjust the model parameters accurately to remove patterns and characteristics from unlearned data. In this work, we present Unlearning Information Bottleneck (UIB), a novel information-theoretic framework designed to enhance the process of machine unlearning that effectively leverages the influence of systematic patterns and biases for parameter adjustment. By proposing a variational upper bound, we recalibrate the model parameters through a dynamic prior that integrates changes in data distribution with an affordable computational cost, allowing efficient and accurate removal of outdated or unwanted data patterns and biases. Our experiments across various datasets, models, and unlearning methods demonstrate that our approach effectively removes systematic patterns and biases while maintaining the performance of models post-unlearning.
Authors: Yangming Li, Mihaela van der Schaar
Abstract: Latent diffusion has shown promising results in image generation and permits efficient sampling. However, this framework might suffer from the problem of posterior collapse when applied to time series. In this paper, we conduct an impact analysis of this problem. With a theoretical insight, we first explain that posterior collapse reduces latent diffusion to a VAE, making it less expressive. Then, we introduce the notion of dependency measures, showing that the latent variable sampled from the diffusion model loses control of the generation process in this situation and that latent diffusion exhibits dependency illusion in the case of shuffled time series. We also analyze the causes of posterior collapse and introduce a new framework based on this analysis, which addresses the problem and supports a more expressive prior distribution. Our experiments on various real-world time-series datasets demonstrate that our new model maintains a stable posterior and outperforms the baselines in time series generation.
Authors: Tianrong Zhang, Bochuan Cao, Yuanpu Cao, Lu Lin, Prasenjit Mitra, Jinghui Chen
Abstract: The recent breakthrough in large language models (LLMs) such as ChatGPT has revolutionized production processes at an unprecedented pace. Alongside this progress also comes mounting concerns about LLMs' susceptibility to jailbreaking attacks, which leads to the generation of harmful or unsafe content. While safety alignment measures have been implemented in LLMs to mitigate existing jailbreak attempts and force them to become increasingly complicated, it is still far from perfect. In this paper, we analyze the common pattern of the current safety alignment and show that it is possible to exploit such patterns for jailbreaking attacks by simultaneous obfuscation in queries and responses. Specifically, we propose WordGame attack, which replaces malicious words with word games to break down the adversarial intent of a query and encourage benign content regarding the games to precede the anticipated harmful content in the response, creating a context that is hardly covered by any corpus used for safety alignment. Extensive experiments demonstrate that WordGame attack can break the guardrails of the current leading proprietary and open-source LLMs, including the latest Claude-3, GPT-4, and Llama-3 models. Further ablation studies on such simultaneous obfuscation in query and response provide evidence of the merits of the attack strategy beyond an individual attack.
Authors: Daniel Kuelbs, Sanjay Lall, Mert Pilanci
Abstract: Training neural networks which are robust to adversarial attacks remains an important problem in deep learning, especially as heavily overparameterized models are adopted in safety-critical settings. Drawing from recent work which reformulates the training problems for two-layer ReLU and polynomial activation networks as convex programs, we devise a convex semidefinite program (SDP) for adversarial training of polynomial activation networks via the S-procedure. We also derive a convex SDP to compute the minimum distance from a correctly classified example to the decision boundary of a polynomial activation network. Adversarial training for two-layer ReLU activation networks has been explored in the literature, but, in contrast to prior work, we present a scalable approach which is compatible with standard machine libraries and GPU acceleration. The adversarial training SDP for polynomial activation networks leads to large increases in robust test accuracy against $\ell^\infty$ attacks on the Breast Cancer Wisconsin dataset from the UCI Machine Learning Repository. For two-layer ReLU networks, we leverage our scalable implementation to retrain the final two fully connected layers of a Pre-Activation ResNet-18 model on the CIFAR-10 dataset. Our 'robustified' model achieves higher clean and robust test accuracies than the same architecture trained with sharpness-aware minimization.
Authors: Yulia Rubanova, Tatiana Lopez-Guevara, Kelsey R. Allen, William F. Whitney, Kimberly Stachenfeld, Tobias Pfaff
Abstract: Simulating large scenes with many rigid objects is crucial for a variety of applications, such as robotics, engineering, film and video games. Rigid interactions are notoriously hard to model: small changes to the initial state or the simulation parameters can lead to large changes in the final state. Recently, learned simulators based on graph networks (GNNs) were developed as an alternative to hand-designed simulators like MuJoCo and PyBullet. They are able to accurately capture dynamics of real objects directly from real-world observations. However, current state-of-the-art learned simulators operate on meshes and scale poorly to scenes with many objects or detailed shapes. Here we present SDF-Sim, the first learned rigid-body simulator designed for scale. We use learned signed-distance functions (SDFs) to represent the object shapes and to speed up distance computation. We design the simulator to leverage SDFs and avoid the fundamental bottleneck of the previous simulators associated with collision detection. For the first time in literature, we demonstrate that we can scale the GNN-based simulators to scenes with hundreds of objects and up to 1.1 million nodes, where mesh-based approaches run out of memory. Finally, we show that SDF-Sim can be applied to real world scenes by extracting SDFs from multi-view images.
Authors: Karol Rogozi\'nski, Jan Dubi\'nski, Przemys{\l}aw Rokita, Kamil Deja
Abstract: The research of innovative methods aimed at reducing costs and shortening the time needed for simulation, going beyond conventional approaches based on Monte Carlo methods, has been sparked by the development of collision simulations at the Large Hadron Collider at CERN. Deep learning generative methods including VAE, GANs and diffusion models have been used for this purpose. Although they are much faster and simpler than standard approaches, they do not always keep high fidelity of the simulated data. This work aims to mitigate this issue, by providing an alternative solution to currently employed algorithms by introducing the mechanism of control over the generated data properties. To achieve this, we extend the recently introduced CorrVAE, which enables user-defined parameter manipulation of the generated output. We adapt the model to the problem of particle physics simulation. The proposed solution achieved promising results, demonstrating control over the parameters of the generated output and constituting an alternative for simulating the ZDC calorimeter in the ALICE experiment at CERN.
Authors: Yijin Ni, Xiaoming Huo
Abstract: Maximum Mean Discrepancy (MMD) is a probability metric that has found numerous applications in machine learning. In this work, we focus on its application in generative models, including the minimum MMD estimator, Generative Moment Matching Network (GMMN), and Generative Adversarial Network (GAN). In these cases, MMD is part of an objective function in a minimization or min-max optimization problem. Even if its empirical performance is competitive, the consistency and convergence rate analysis of the corresponding MMD-based estimators has yet to be carried out. We propose a uniform concentration inequality for a class of Maximum Mean Discrepancy (MMD)-based estimators, that is, a maximum deviation bound of empirical MMD values over a collection of generated distributions and adversarially learned kernels. Here, our inequality serves as an efficient tool in the theoretical analysis for MMD-based generative models. As elaborating examples, we applied our main result to provide the generalization error bounds for the MMD-based estimators in the context of the minimum MMD estimator and MMD GAN.
Authors: Martin Roa-Villescas, Xuanzhao Gao, Sander Stuijk, Henk Corporaal, Jin-Guo Liu
Abstract: Probabilistic inference is a fundamental task in modern machine learning. Recent advances in tensor network (TN) contraction algorithms have enabled the development of better exact inference methods. However, many common inference tasks in probabilistic graphical models (PGMs) still lack corresponding TN-based adaptations. In this work, we advance the connection between PGMs and TNs by formulating and implementing tensor-based solutions for the following inference tasks: (i) computing the partition function, (ii) computing the marginal probability of sets of variables in the model, (iii) determining the most likely assignment to a set of variables, and (iv) the same as (iii) but after having marginalized a different set of variables. We also present a generalized method for generating samples from a learned probability distribution. Our work is motivated by recent technical advances in the fields of quantum circuit simulation, quantum many-body physics, and statistical physics. Through an experimental evaluation, we demonstrate that the integration of these quantum technologies with a series of algorithms introduced in this study significantly improves the effectiveness of existing methods for solving probabilistic inference tasks.
Authors: Vinod Raman, Ambuj Tewari
Abstract: We study online classification when the learner has access to predictions about future examples. We design an online learner whose expected regret is never worse than the worst-case regret, gracefully improves with the quality of the predictions, and can be significantly better than the worst-case regret when the predictions of future examples are accurate. As a corollary, we show that if the learner is always guaranteed to observe data where future examples are easily predictable, then online learning can be as easy as transductive online learning. Our results complement recent work in online algorithms with predictions and smoothed online classification, which go beyond a worse-case analysis by using machine-learned predictions and distributional assumptions respectively.
Authors: Chengyang Ying, Zhongkai Hao, Xinning Zhou, Xuezhou Xu, Hang Su, Xingxing Zhang, Jun Zhu
Abstract: Designing generalizable agents capable of adapting to diverse embodiments has achieved significant attention in Reinforcement Learning (RL), which is critical for deploying RL agents in various real-world applications. Previous Cross-Embodiment RL approaches have focused on transferring knowledge across embodiments within specific tasks. These methods often result in knowledge tightly coupled with those tasks and fail to adequately capture the distinct characteristics of different embodiments. To address this limitation, we introduce the notion of Cross-Embodiment Unsupervised RL (CEURL), which leverages unsupervised learning to enable agents to acquire embodiment-aware and task-agnostic knowledge through online interactions within reward-free environments. We formulate CEURL as a novel Controlled Embodiment Markov Decision Process (CE-MDP) and systematically analyze CEURL's pre-training objectives under CE-MDP. Based on these analyses, we develop a novel algorithm Pre-trained Embodiment-Aware Control (PEAC) for handling CEURL, incorporating an intrinsic reward function specifically designed for cross-embodiment pre-training. PEAC not only provides an intuitive optimization strategy for cross-embodiment pre-training but also can integrate flexibly with existing unsupervised RL methods, facilitating cross-embodiment exploration and skill discovery. Extensive experiments in both simulated (e.g., DMC and Robosuite) and real-world environments (e.g., legged locomotion) demonstrate that PEAC significantly improves adaptation performance and cross-embodiment generalization, demonstrating its effectiveness in overcoming the unique challenges of CEURL.
Authors: Dingyi Zhuang, Qingyi Wang, Yunhan Zheng, Xiaotong Guo, Shenhao Wang, Haris N Koutsopoulos, Jinhua Zhao
Abstract: Transportation mode share analysis is important to various real-world transportation tasks as it helps researchers understand the travel behaviors and choices of passengers. A typical example is the prediction of communities' travel mode share by accounting for their sociodemographics like age, income, etc., and travel modes' attributes (e.g. travel cost and time). However, there exist only limited efforts in integrating the structure of the urban built environment, e.g., road networks, into the mode share models to capture the impacts of the built environment. This task usually requires manual feature engineering or prior knowledge of the urban design features. In this study, we propose deep hybrid models (DHM), which directly combine road networks and sociodemographic features as inputs for travel mode share analysis. Using graph embedding (GE) techniques, we enhance travel demand models with a more powerful representation of urban structures. In experiments of mode share prediction in Chicago, results demonstrate that DHM can provide valuable spatial insights into the sociodemographic structure, improving the performance of travel demand models in estimating different mode shares at the city level. Specifically, DHM improves the results by more than 20\% while retaining the interpretation power of the choice models, demonstrating its superiority in interpretability, prediction accuracy, and geographical insights.
Authors: Junghyuk Yeom, Yonghyeon Jo, Jungmo Kim, Sanghyeon Lee, Seungyul Han
Abstract: Constraint-based offline reinforcement learning (RL) involves policy constraints or imposing penalties on the value function to mitigate overestimation errors caused by distributional shift. This paper focuses on a limitation in existing offline RL methods with penalized value function, indicating the potential for underestimation bias due to unnecessary bias introduced in the value function. To address this concern, we propose Exclusively Penalized Q-learning (EPQ), which reduces estimation bias in the value function by selectively penalizing states that are prone to inducing estimation errors. Numerical results show that our method significantly reduces underestimation bias and improves performance in various offline control tasks compared to other offline RL methods
Authors: Aymane El Firdoussi, Mohamed El Amine Seddik
Abstract: This paper provides theoretical insights into high-dimensional binary classification with class-conditional noisy labels. Specifically, we study the behavior of a linear classifier with a label noisiness aware loss function, when both the dimension of data $p$ and the sample size $n$ are large and comparable. Relying on random matrix theory by supposing a Gaussian mixture data model, the performance of the linear classifier when $p,n\to \infty$ is shown to converge towards a limit, involving scalar statistics of the data. Importantly, our findings show that the low-dimensional intuitions to handle label noise do not hold in high-dimension, in the sense that the optimal classifier in low-dimension dramatically fails in high-dimension. Based on our derivations, we design an optimized method that is shown to be provably more efficient in handling noisy labels in high dimensions. Our theoretical conclusions are further confirmed by experiments on real datasets, where we show that our optimized approach outperforms the considered baselines.
Authors: Siba Smarak Panigrahi, Arnab Kumar Mondal
Abstract: This work introduces a novel approach to achieving architecture-agnostic equivariance in deep learning, particularly addressing the limitations of traditional equivariant architectures and the inefficiencies of the existing architecture-agnostic methods. Building equivariant models using traditional methods requires designing equivariant versions of existing models and training them from scratch, a process that is both impractical and resource-intensive. Canonicalization has emerged as a promising alternative for inducing equivariance without altering model architecture, but it suffers from the need for highly expressive and expensive equivariant networks to learn canonical orientations accurately. We propose a new method that employs any non-equivariant network for canonicalization. Our method uses contrastive learning to efficiently learn a unique canonical orientation and offers more flexibility for the choice of canonicalization network. We empirically demonstrate that this approach outperforms existing methods in achieving equivariance for large pretrained models and significantly speeds up the canonicalization process, making it up to 2 times faster.
Authors: Rosario Messana, Rui Chen, Andrea Lodi
Abstract: We consider solving a combinatorial optimization problem with an unknown linear constraint using a membership oracle that, given a solution, determines whether it is feasible or infeasible with absolute certainty. The goal of the decision maker is to find the best possible solution subject to a budget on the number of oracle calls. Inspired by active learning based on Support Vector Machines (SVMs), we adapt a classical framework in order to solve the problem by learning and exploiting a surrogate linear constraint. The resulting new framework includes training a linear separator on the labeled points and selecting new points to be labeled, which is achieved by applying a sampling strategy and solving a 0-1 integer linear program. Following the active learning literature, one can consider using SVM as a linear classifier and the information-based sampling strategy known as Simple margin. We improve on both sides: we propose an alternative sampling strategy based on mixed-integer quadratic programming and a linear separation method inspired by an algorithm for convex optimization in the oracle model. We conduct experiments on the pure knapsack problem and on a college study plan problem from the literature to show how different linear separation methods and sampling strategies influence the quality of the results in terms of objective value.
Authors: Rub\'en Ballester, Pablo Hern\'andez-Garc\'ia, Mathilde Papillon, Claudio Battiloro, Nina Miolane, Tolga Birdal, Carles Casacuberta, Sergio Escalera, Mustafa Hajij
Abstract: Topological Deep Learning seeks to enhance the predictive performance of neural network models by harnessing topological structures in input data. Topological neural networks operate on spaces such as cell complexes and hypergraphs, that can be seen as generalizations of graphs. In this work, we introduce the Cellular Transformer (CT), a novel architecture that generalizes graph-based transformers to cell complexes. First, we propose a new formulation of the usual self- and cross-attention mechanisms, tailored to leverage incidence relations in cell complexes, e.g., edge-face and node-edge relations. Additionally, we propose a set of topological positional encodings specifically designed for cell complexes. By transforming three graph datasets into cell complex datasets, our experiments reveal that CT not only achieves state-of-the-art performance, but it does so without the need for more complex enhancements such as virtual nodes, in-domain structural encodings, or graph rewiring.
Authors: Wenrui Hao, Xinliang Liu, Yahong Yang
Abstract: Solving nonlinear partial differential equations (PDEs) with multiple solutions using neural networks has found widespread applications in various fields such as physics, biology, and engineering. However, classical neural network methods for solving nonlinear PDEs, such as Physics-Informed Neural Networks (PINN), Deep Ritz methods, and DeepONet, often encounter challenges when confronted with the presence of multiple solutions inherent in the nonlinear problem. These methods may encounter ill-posedness issues. In this paper, we propose a novel approach called the Newton Informed Neural Operator, which builds upon existing neural network techniques to tackle nonlinearities. Our method combines classical Newton methods, addressing well-posed problems, and efficiently learns multiple solutions in a single learning process while requiring fewer supervised data points compared to existing neural network methods.
Authors: Chuqi Chen, Yahong Yang, Yang Xiang, Wenrui Hao
Abstract: Neural network-based approaches have recently shown significant promise in solving partial differential equations (PDEs) in science and engineering, especially in scenarios featuring complex domains or the incorporation of empirical data. One advantage of the neural network method for PDEs lies in its automatic differentiation (AD), which necessitates only the sample points themselves, unlike traditional finite difference (FD) approximations that require nearby local points to compute derivatives. In this paper, we quantitatively demonstrate the advantage of AD in training neural networks. The concept of truncated entropy is introduced to characterize the training property. Specifically, through comprehensive experimental and theoretical analyses conducted on random feature models and two-layer neural networks, we discover that the defined truncated entropy serves as a reliable metric for quantifying the residual loss of random feature models and the training speed of neural networks for both AD and FD methods. Our experimental and theoretical analyses demonstrate that, from a training perspective, AD outperforms FD in solving partial differential equations.
Authors: Yuanzhao Zhai, Zhuo Zhang, Kele Xu, Hanyang Peng, Yue Yu, Dawei Feng, Cheng Yang, Bo Ding, Huaimin Wang
Abstract: Aligning with human preference datasets has been critical to the success of large language models (LLMs). Reinforcement learning from human feedback (RLHF) employs a costly reward model to provide feedback for on-policy sampling responses. Recently, offline methods that directly fit responses with binary preferences in the dataset have emerged as alternatives. However, existing methods do not explicitly model preference strength information, which is crucial for distinguishing different response pairs. To overcome this limitation, we propose Online Self-Preferring (OSP) language models to learn from self-generated response pairs and self-judged preference strengths. For each prompt and corresponding self-generated responses, we introduce a ranked pairing method to construct multiple response pairs with preference strength information. We then propose the soft-preference cross-entropy loss to leverage such information. Empirically, we demonstrate that leveraging preference strength is crucial for avoiding overfitting and enhancing alignment performance. OSP achieves state-of-the-art alignment performance across various metrics in two widely used human preference datasets. OSP is parameter-efficient and more robust than the dominant online method, RLHF when limited offline data are available and generalizing to out-of-domain tasks. Moreover, OSP language models established by LLMs with proficiency in self-preferring can efficiently self-improve without external supervision.
Authors: Alex Morehead, Nabin Giri, Jian Liu, Jianlin Cheng
Abstract: The effects of ligand binding on protein structures and their in vivo functions carry numerous implications for modern biomedical research and biotechnology development efforts such as drug discovery. Although several deep learning (DL) methods and benchmarks designed for protein-ligand docking have recently been introduced, to date no prior works have systematically studied the behavior of docking methods within the practical context of (1) predicted (apo) protein structures, (2) multiple ligands concurrently binding to a given target protein, and (3) having no prior knowledge of binding pockets. To enable a deeper understanding of docking methods' real-world utility, we introduce PoseBench, the first comprehensive benchmark for practical protein-ligand docking. PoseBench enables researchers to rigorously and systematically evaluate DL docking methods for apo-to-holo protein-ligand docking and protein-ligand structure generation using both single and multi-ligand benchmark datasets, the latter of which we introduce for the first time to the DL community. Empirically, using PoseBench, we find that all recent DL docking methods but one fail to generalize to multi-ligand protein targets and also that template-based docking algorithms perform equally well or better for multi-ligand docking as recent single-ligand DL docking methods, suggesting areas of improvement for future work. Code, data, tutorials, and benchmark results are available at https://github.com/BioinfoMachineLearning/PoseBench.
Authors: Yuyan Zhou, Ye Li, Lei Feng, Sheng-Jun Huang
Abstract: Recent studies showed that the generalization of neural networks is correlated with the sharpness of the loss landscape, and flat minima suggests a better generalization ability than sharp minima. In this paper, we propose a novel method called \emph{optimum shifting}, which changes the parameters of a neural network from a sharp minimum to a flatter one while maintaining the same training loss value. Our method is based on the observation that when the input and output of a neural network are fixed, the matrix multiplications within the network can be treated as systems of under-determined linear equations, enabling adjustment of parameters in the solution space, which can be simply accomplished by solving a constrained optimization problem. Furthermore, we introduce a practical stochastic optimum shifting technique utilizing the Neural Collapse theory to reduce computational costs and provide more degrees of freedom for optimum shifting. Extensive experiments (including classification and detection) with various deep neural network architectures on benchmark datasets demonstrate the effectiveness of our method.
Authors: Johannes Ackermann, Takayuki Osa, Masashi Sugiyama
Abstract: Current Reinforcement Learning (RL) is often limited by the large amount of data needed to learn a successful policy. Offline RL aims to solve this issue by using transitions collected by a different behavior policy. We address a novel Offline RL problem setting in which, while collecting the dataset, the transition and reward functions gradually change between episodes but stay constant within each episode. We propose a method based on Contrastive Predictive Coding that identifies this non-stationarity in the offline dataset, accounts for it when training a policy, and predicts it during evaluation. We analyze our proposed method and show that it performs well in simple continuous control tasks and challenging, high-dimensional locomotion tasks. We show that our method often achieves the oracle performance and performs better than baselines.
Authors: Sheng-Jun Huang, Yi Li, Yiming Sun, Ying-Peng Tang
Abstract: Active learning (AL) for multiple target models aims to reduce labeled data querying while effectively training multiple models concurrently. Existing AL algorithms often rely on iterative model training, which can be computationally expensive, particularly for deep models. In this paper, we propose a one-shot AL method to address this challenge, which performs all label queries without repeated model training. Specifically, we extract different representations of the same dataset using distinct network backbones, and actively learn the linear prediction layer on each representation via an $\ell_p$-regression formulation. The regression problems are solved approximately by sampling and reweighting the unlabeled instances based on their maximum Lewis weights across the representations. An upper bound on the number of samples needed is provided with a rigorous analysis for $p\in [1, +\infty)$. Experimental results on 11 benchmarks show that our one-shot approach achieves competitive performances with the state-of-the-art AL methods for multiple target models.
Authors: Minh Le, An Nguyen, Huy Nguyen, Trang Nguyen, Trang Pham, Linh Van Ngo, Nhat Ho
Abstract: Exploiting the power of pre-trained models, prompt-based approaches stand out compared to other continual learning solutions in effectively preventing catastrophic forgetting, even with very few learnable parameters and without the need for a memory buffer. While existing prompt-based continual learning methods excel in leveraging prompts for state-of-the-art performance, they often lack a theoretical explanation for the effectiveness of prompting. This paper conducts a theoretical analysis to unravel how prompts bestow such advantages in continual learning, thus offering a new perspective on prompt design. We first show that the attention block of pre-trained models like Vision Transformers inherently encodes a special mixture of experts architecture, characterized by linear experts and quadratic gating score functions. This realization drives us to provide a novel view on prefix tuning, reframing it as the addition of new task-specific experts, thereby inspiring the design of a novel gating mechanism termed Non-linear Residual Gates (NoRGa). Through the incorporation of non-linear activation and residual connection, NoRGa enhances continual learning performance while preserving parameter efficiency. The effectiveness of NoRGa is substantiated both theoretically and empirically across diverse benchmarks and pretraining paradigms.
Authors: Bum Jun Kim, Yoshinobu Kawahara, Sang Woo Kim
Abstract: Dynamical systems are often time-varying, whose modeling requires a function that evolves with respect to time. Recent studies such as the neural ordinary differential equation proposed a time-dependent neural network, which provides a neural network varying with respect to time. However, we claim that the architectural choice to build a time-dependent neural network significantly affects its time-awareness but still lacks sufficient validation in its current states. In this study, we conduct an in-depth analysis of the architecture of modern time-dependent neural networks. Here, we report a vulnerability of vanishing timestep embedding, which disables the time-awareness of a time-dependent neural network. Furthermore, we find that this vulnerability can also be observed in diffusion models because they employ a similar architecture that incorporates timestep embedding to discriminate between different timesteps during a diffusion process. Our analysis provides a detailed description of this phenomenon as well as several solutions to address the root cause. Through experiments on neural ordinary differential equations and diffusion models, we observed that ensuring alive time-awareness via proposed solutions boosted their performance, which implies that their current implementations lack sufficient time-dependency.
Authors: Zexi Li, Lingzhi Gao, Chao Wu
Abstract: Generative artificial intelligence (GenAI) has made significant progress in understanding world knowledge and generating content from human languages across various modalities, like text-to-text large language models, text-to-image stable diffusion, and text-to-video Sora. While in this paper, we investigate the capability of GenAI for text-to-model generation, to see whether GenAI can comprehend hyper-level knowledge embedded within AI itself parameters. Specifically, we study a practical scenario termed train-once-for-all personalization, aiming to generate personalized models for diverse end-users and tasks using text prompts. Inspired by the recent emergence of neural network diffusion, we present Tina, a text-conditioned neural network diffusion for train-once-for-all personalization. Tina leverages a diffusion transformer model conditioned on task descriptions embedded using a CLIP model. Despite the astronomical number of potential personalized tasks (e.g., $1.73\times10^{13}$), by our design, Tina demonstrates remarkable in-distribution and out-of-distribution generalization even trained on small datasets ($\sim 1000$). We further verify whether and how \Tina understands world knowledge by analyzing its capabilities under zero-shot/few-shot image prompts, different numbers of personalized classes, prompts of natural language descriptions, and predicting unseen entities.
Authors: Xinyu Guo, Kai Wu, Xiaoyu Zhang, Jing Liu
Abstract: Class-imbalanced node classification tasks are prevalent in real-world scenarios. Due to the uneven distribution of nodes across different classes, learning high-quality node representations remains a challenging endeavor. The engineering of loss functions has shown promising potential in addressing this issue. It involves the meticulous design of loss functions, utilizing information about the quantities of nodes in different categories and the network's topology to learn unbiased node representations. However, the design of these loss functions heavily relies on human expert knowledge and exhibits limited adaptability to specific target tasks. In this paper, we introduce a high-performance, flexible, and generalizable automated loss function search framework to tackle this challenge. Across 15 combinations of graph neural networks and datasets, our framework achieves a significant improvement in performance compared to state-of-the-art methods. Additionally, we observe that homophily in graph-structured data significantly contributes to the transferability of the proposed framework.
Authors: Xingchen Zou, Jiani Huang, Xixuan Hao, Yuhao Yang, Haomin Wen, Yibo Yan, Chao Huang, Yuxuan Liang
Abstract: Learning effective geospatial embeddings is crucial for a series of geospatial applications such as city analytics and earth monitoring. However, learning comprehensive region representations presents two significant challenges: first, the deficiency of effective intra-region feature representation; and second, the difficulty of learning from intricate inter-region dependencies. In this paper, we present GeoHG, an effective heterogeneous graph structure for learning comprehensive region embeddings for various downstream tasks. Specifically, we tailor satellite image representation learning through geo-entity segmentation and point-of-interest (POI) integration for expressive intra-regional features. Furthermore, GeoHG unifies informative spatial interdependencies and socio-environmental attributes into a powerful heterogeneous graph to encourage explicit modeling of higher-order inter-regional relationships. The intra-regional features and inter-regional correlations are seamlessly integrated by a model-agnostic graph learning framework for diverse downstream tasks. Extensive experiments demonstrate the effectiveness of GeoHG in geo-prediction tasks compared to existing methods, even under extreme data scarcity (with just 5% of training data). With interpretable region representations, GeoHG exhibits strong generalization capabilities across regions. We will release code and data upon paper notification.
Authors: Oleg I. Berngardt
Abstract: This paper presents an algorithm for searching for the minimum number of neurons in fully connected layers of an arbitrary network solving given problem, which does not require multiple training of the network with different number of neurons. The algorithm is based at training the initial wide network using the cross-validation method over at least two folds. Then by using truncated singular value decomposition autoencoder inserted after the studied layer of trained network we search the minimum number of neurons in inference only mode of the network. It is shown that the minimum number of neurons in a fully connected layer could be interpreted not as network hyperparameter associated with the other hyperparameters of the network, but as internal (latent) property of the solution, determined by the network architecture, the training dataset, layer position, and the quality metric used. So the minimum number of neurons can be estimated for each hidden fully connected layer independently. The proposed algorithm is the first approximation for estimating the minimum number of neurons in the layer, since, on the one hand, the algorithm does not guarantee that a neural network with the found number of neurons can be trained to the required quality, and on the other hand, it searches for the minimum number of neurons in a limited class of possible solutions. The solution was tested on several datasets in classification and regression problems.
Authors: Feng Gu, Jie Lu, Zhen Fang, Kun Wang, Guangquan Zhang
Abstract: Uncertain changes in data streams present challenges for machine learning models to dynamically adapt and uphold performance in real-time. Particularly, classification boundary change, also known as real concept drift, is the major cause of classification performance deterioration. However, accurately detecting real concept drift remains challenging because the theoretical foundations of existing drift detection methods - two-sample distribution tests and monitoring classification error rate, both suffer from inherent limitations such as the inability to distinguish virtual drift (changes not affecting the classification boundary, will introduce unnecessary model maintenance), limited statistical power, or high computational cost. Furthermore, no existing detection method can provide information on the trend of the drift, which could be invaluable for model maintenance. This work presents a novel real concept drift detection method based on Neighbor-Searching Discrepancy, a new statistic that measures the classification boundary difference between two samples. The proposed method is able to detect real concept drift with high accuracy while ignoring virtual drift. It can also indicate the direction of the classification boundary change by identifying the invasion or retreat of a certain class, which is also an indicator of separability change between classes. A comprehensive evaluation of 11 experiments is conducted, including empirical verification of the proposed theory using artificial datasets, and experimental comparisons with commonly used drift handling methods on real-world datasets. The results show that the proposed theory is robust against a range of distributions and dimensions, and the drift detection method outperforms state-of-the-art alternative methods.
Authors: Ambar Pal, Ren\'e Vidal, Jeremias Sulam
Abstract: Recent work in adversarial robustness suggests that natural data distributions are localized, i.e., they place high probability in small volume regions of the input space, and that this property can be utilized for designing classifiers with improved robustness guarantees for $\ell_2$-bounded perturbations. Yet, it is still unclear if this observation holds true for more general metrics. In this work, we extend this theory to $\ell_0$-bounded adversarial perturbations, where the attacker can modify a few pixels of the image but is unrestricted in the magnitude of perturbation, and we show necessary and sufficient conditions for the existence of $\ell_0$-robust classifiers. Theoretical certification approaches in this regime essentially employ voting over a large ensemble of classifiers. Such procedures are combinatorial and expensive or require complicated certification techniques. In contrast, a simple classifier emerges from our theory, dubbed Box-NN, which naturally incorporates the geometry of the problem and improves upon the current state-of-the-art in certified robustness against sparse attacks for the MNIST and Fashion-MNIST datasets.
Authors: Jeremy McMahan
Abstract: We present a novel algorithm that efficiently computes near-optimal deterministic policies for constrained reinforcement learning (CRL) problems. Our approach combines three key ideas: (1) value-demand augmentation, (2) action-space approximate dynamic programming, and (3) time-space rounding. Under mild reward assumptions, our algorithm constitutes a fully polynomial-time approximation scheme (FPTAS) for a diverse class of cost criteria. This class requires that the cost of a policy can be computed recursively over both time and (state) space, which includes classical expectation, almost sure, and anytime constraints. Our work not only provides provably efficient algorithms to address real-world challenges in decision-making but also offers a unifying theory for the efficient computation of constrained deterministic policies.
Authors: Shukai Duan, Heng Ping, Nikos Kanakaris, Xiongye Xiao, Peiyu Zhang, Panagiotis Kyriakis, Nesreen K. Ahmed, Guixiang Ma, Mihai Capota, Shahin Nazarian, Theodore L. Willke, Paul Bogdan
Abstract: Existing approaches for device placement ignore the topological features of computation graphs and rely mostly on heuristic methods for graph partitioning. At the same time, they either follow a grouper-placer or an encoder-placer architecture, which requires understanding the interaction structure between code operations. To bridge the gap between encoder-placer and grouper-placer techniques, we propose a novel framework for the task of device placement, relying on smaller computation graphs extracted from the OpenVINO toolkit using reinforcement learning. The framework consists of five steps, including graph coarsening, node representation learning and policy optimization. It facilitates end-to-end training and takes into consideration the directed and acyclic nature of the computation graphs. We also propose a model variant, inspired by graph parsing networks and complex network analysis, enabling graph representation learning and personalized graph partitioning jointly, using an unspecified number of groups. To train the entire framework, we utilize reinforcement learning techniques by employing the execution time of the suggested device placements to formulate the reward. We demonstrate the flexibility and effectiveness of our approach through multiple experiments with three benchmark models, namely Inception-V3, ResNet, and BERT. The robustness of the proposed framework is also highlighted through an ablation study. The suggested placements improve the inference speed for the benchmark models by up to $58.2\%$ over CPU execution and by up to $60.24\%$ compared to other commonly used baselines.
Authors: Nicolas Acevedo, Carmen Cortez, Chris Brooks, Rene Kizilcec, Renzhe Yu
Abstract: Distribution shift is a common situation in machine learning tasks, where the data used for training a model is different from the data the model is applied to in the real world. This issue arises across multiple technical settings: from standard prediction tasks, to time-series forecasting, and to more recent applications of large language models (LLMs). This mismatch can lead to performance reductions, and can be related to a multiplicity of factors: sampling issues and non-representative data, changes in the environment or policies, or the emergence of previously unseen scenarios. This brief focuses on the definition and detection of distribution shifts in educational settings. We focus on standard prediction problems, where the task is to learn a model that takes in a series of input (predictors) $X=(x_1,x_2,...,x_m)$ and produces an output $Y=f(X)$.
Authors: Thao Nguyen, Tiara Torres-Flores, Changhyun Hwang, Carl Edwards, Ying Diao, Heng Ji
Abstract: This paper presents a novel approach for predicting Power Conversion Efficiency (PCE) of Organic Photovoltaic (OPV) devices, called GLaD: synergizing molecular Graphs and Language Descriptors for enhanced PCE prediction. Due to the lack of high-quality experimental data, we collect a dataset consisting of 500 pairs of OPV donor and acceptor molecules along with their corresponding PCE values, which we utilize as the training data for our predictive model. In this low-data regime, GLaD leverages properties learned from large language models (LLMs) pretrained on extensive scientific literature to enrich molecular structural representations, allowing for a multimodal representation of molecules. GLaD achieves precise predictions of PCE, thereby facilitating the synthesis of new OPV molecules with improved efficiency. Furthermore, GLaD showcases versatility, as it applies to a range of molecular property prediction tasks (BBBP, BACE, ClinTox, and SIDER), not limited to those concerning OPV materials. Especially, GLaD proves valuable for tasks in low-data regimes within the chemical space, as it enriches molecular representations by incorporating molecular property descriptions learned from large-scale pretraining. This capability is significant in real-world scientific endeavors like drug and material discovery, where access to comprehensive data is crucial for informed decision-making and efficient exploration of the chemical space.
Authors: Zihe Liu, Jie Lu, Guangquan Zhang, Junyu Xuan
Abstract: Deep reinforcement learning is used in various domains, but usually under the assumption that the environment has stationary conditions like transitions and state distributions. When this assumption is not met, performance suffers. For this reason, tracking continuous environmental changes and adapting to unpredictable conditions is challenging yet crucial because it ensures that systems remain reliable and flexible in practical scenarios. Our research introduces Behavior-Aware Detection and Adaptation (BADA), an innovative framework that merges environmental change detection with behavior adaptation. The key inspiration behind our method is that policies exhibit different global behaviors in changing environments. Specifically, environmental changes are identified by analyzing variations between behaviors using Wasserstein distances without manually set thresholds. The model adapts to the new environment through behavior regularization based on the extent of changes. The results of a series of experiments demonstrate better performance relative to several current algorithms. This research also indicates significant potential for tackling this long-standing challenge.
Authors: Hanzhao Wang, Yu Pan, Fupeng Sun, Shang Liu, Kalyan Talluri, Guanting Chen, Xiaocheng Li
Abstract: In this paper, we consider the supervised pretrained transformer for a class of sequential decision-making problems. The class of considered problems is a subset of the general formulation of reinforcement learning in that there is no transition probability matrix, and the class of problems covers bandits, dynamic pricing, and newsvendor problems as special cases. Such a structure enables the use of optimal actions/decisions in the pretraining phase, and the usage also provides new insights for the training and generalization of the pretrained transformer. We first note that the training of the transformer model can be viewed as a performative prediction problem, and the existing methods and theories largely ignore or cannot resolve the arisen out-of-distribution issue. We propose a natural solution that includes the transformer-generated action sequences in the training procedure, and it enjoys better properties both numerically and theoretically. The availability of the optimal actions in the considered tasks also allows us to analyze the properties of the pretrained transformer as an algorithm and explains why it may lack exploration and how this can be automatically resolved. Numerically, we categorize the advantages of the pretrained transformer over the structured algorithms such as UCB and Thompson sampling into three cases: (i) it better utilizes the prior knowledge in the pretraining data; (ii) it can elegantly handle the misspecification issue suffered by the structured algorithms; (iii) for short time horizon such as $T\le50$, it behaves more greedy and enjoys much better regret than the structured algorithms which are designed for asymptotic optimality.
Authors: Jiwan Seo, Joonhyuk Kang
Abstract: Vector Quantized Variational AutoEncoder (VQ-VAE) is an established technique in machine learning for learning discrete representations across various modalities. However, its scalability and applicability are limited by the need to retrain the model to adjust the codebook for different data or model scales. We introduce the Rate-Adaptive VQ-VAE (RAQ-VAE) framework, which addresses this challenge with two novel codebook representation methods: a model-based approach using a clustering-based technique on an existing well-trained VQ-VAE model, and a data-driven approach utilizing a sequence-to-sequence (Seq2Seq) model for variable-rate codebook generation. Our experiments demonstrate that RAQ-VAE achieves effective reconstruction performance across multiple rates, often outperforming conventional fixed-rate VQ-VAE models. This work enhances the adaptability and performance of VQ-VAEs, with broad applications in data reconstruction, generation, and computer vision tasks.
Authors: Qingyuan Wu, Simon Sinong Zhan, Yixuan Wang, Yuhui Wang, Chung-Wei Lin, Chen Lv, Qi Zhu, Chao Huang
Abstract: In environments with delayed observation, state augmentation by including actions within the delay window is adopted to retrieve Markovian property to enable reinforcement learning (RL). However, state-of-the-art (SOTA) RL techniques with Temporal-Difference (TD) learning frameworks often suffer from learning inefficiency, due to the significant expansion of the augmented state space with the delay. To improve learning efficiency without sacrificing performance, this work introduces a novel framework called Variational Delayed Policy Optimization (VDPO), which reformulates delayed RL as a variational inference problem. This problem is further modelled as a two-step iterative optimization problem, where the first step is TD learning in the delay-free environment with a small state space, and the second step is behaviour cloning which can be addressed much more efficiently than TD learning. We not only provide a theoretical analysis of VDPO in terms of sample complexity and performance, but also empirically demonstrate that VDPO can achieve consistent performance with SOTA methods, with a significant enhancement of sample efficiency (approximately 50\% less amount of samples) in the MuJoCo benchmark.
Authors: Chia-Fu Liu, Lipai Huang, Kai Yin, Sam Brody, Ali Mostafavi
Abstract: Near-real time estimation of damage to buildings and infrastructure, referred to as damage nowcasting in this study, is crucial for empowering emergency responders to make informed decisions regarding evacuation orders and infrastructure repair priorities during disaster response and recovery. Here, we introduce FloodDamageCast, a machine learning framework tailored for property flood damage nowcasting. The framework leverages heterogeneous data to predict residential flood damage at a resolution of 500 meters by 500 meters within Harris County, Texas, during the 2017 Hurricane Harvey. To deal with data imbalance, FloodDamageCast incorporates a generative adversarial networks-based data augmentation coupled with an efficient machine learning model. The results demonstrate the model's ability to identify high-damage spatial areas that would be overlooked by baseline models. Insights gleaned from flood damage nowcasting can assist emergency responders to more efficiently identify repair needs, allocate resources, and streamline on-the-ground inspections, thereby saving both time and effort.
Authors: Mohammed Baharoon, Jonathan Klein, Dominik L. Michels
Abstract: Vision-language contrastive learning frameworks like CLIP enable learning representations from natural language supervision, and provide strong zero-shot classification capabilities. However, due to the nature of the supervisory signal in these paradigms, they lack the ability to learn localized features, leading to degraded performance on dense prediction tasks like segmentation and detection. On the other hand, self-supervised learning methods have shown the ability to learn granular representations, complementing the high-level features in vision-language training. In this work, we present Harmony, a framework that combines vision-language training with discriminative and generative self-supervision to learn visual features that can be generalized across vision downstream tasks. Our framework is specifically designed to work on web-scraped data by not relying on negative examples and addressing the one-to-one correspondence issue using soft CLIP targets generated by an EMA model. We comprehensively evaluate Harmony across various vision downstream tasks and find that it significantly outperforms the baseline CLIP and the previously leading joint self and weakly-supervised methods, MaskCLIP and SLIP. Specifically, when comparing against these methods, Harmony shows superior performance in fine-tuning and zero-shot classification on ImageNet-1k, semantic segmentation on ADE20K, and both object detection and instance segmentation on MS-COCO, when pre-training a ViT-S/16 on CC3M. We also show that Harmony outperforms other self-supervised learning methods like iBOT and MAE across all tasks evaluated. On https://github.com/MohammedSB/Harmony our code is publicly available.
Authors: Yilun Liu, Ruihong Qiu, Zi Huang
Abstract: Large-scale graphs are valuable for graph representation learning, yet the abundant data in these graphs hinders the efficiency of the training process. Graph condensation (GC) alleviates this issue by compressing the large graph into a significantly smaller one that still supports effective model training. Although recent research has introduced various approaches to improve the effectiveness of the condensed graph, comprehensive and practical evaluations across different GC methods are neglected. This paper proposes the first large-scale graph condensation benchmark, GCondenser, to holistically evaluate and compare mainstream GC methods. GCondenser includes a standardised GC paradigm, consisting of condensation, validation, and evaluation procedures, as well as enabling extensions to new GC methods and datasets. With GCondenser, a comprehensive performance study is conducted, presenting the effectiveness of existing methods. GCondenser is open-sourced and available at https://github.com/superallen13/GCondenser.
Authors: Emile Pierret, Bruno Galerne
Abstract: Diffusion or score-based models recently showed high performance in image generation. They rely on a forward and a backward stochastic differential equations (SDE). The sampling of a data distribution is achieved by solving numerically the backward SDE or its associated flow ODE. Studying the convergence of these models necessitates to control four different types of error: the initialization error, the truncation error, the discretization and the score approximation. In this paper, we study theoretically the behavior of diffusion models and their numerical implementation when the data distribution is Gaussian. In this restricted framework where the score function is a linear operator, we can derive the analytical solutions of the forward and backward SDEs as well as the associated flow ODE. This provides exact expressions for various Wasserstein errors which enable us to compare the influence of each error type for any sampling scheme, thus allowing to monitor convergence directly in the data space instead of relying on Inception features. Our experiments show that the recommended numerical schemes from the diffusion models literature are also the best sampling schemes for Gaussian distributions.
Authors: Qingxiang Liu, Xu Liu, Chenghao Liu, Qingsong Wen, Yuxuan Liang
Abstract: Unlike natural language processing and computer vision, the development of Foundation Models (FMs) for time series forecasting is blocked due to data scarcity. While recent efforts are focused on building such FMs by unlocking the potential of language models (LMs) for time series analysis, dedicated parameters for various downstream forecasting tasks need training, which hinders the common knowledge sharing across domains. Moreover, data owners may hesitate to share the access to local data due to privacy concerns and copyright protection, which makes it impossible to simply construct a FM on cross-domain training instances. To address these issues, we propose Time-FFM, a Federated Foundation Model for Time series forecasting by leveraging pretrained LMs. Specifically, we begin by transforming time series into the modality of text tokens. To bootstrap LMs for time series reasoning, we propose a prompt adaption module to determine domain-customized prompts dynamically instead of artificially. Given the data heterogeneity across domains, we design a personalized federated training strategy by learning global encoders and local prediction heads. Our comprehensive experiments indicate that Time-FFM outperforms state-of-the-arts and promises effective few-shot and zero-shot forecaster.
Authors: Viktor Zaverkin, Francesco Alesiani, Takashi Maruyama, Federico Errica, Henrik Christiansen, Makoto Takamoto, Nicolas Weber, Mathias Niepert
Abstract: The ability to perform fast and accurate atomistic simulations is crucial for advancing the chemical sciences. By learning from high-quality data, machine-learned interatomic potentials achieve accuracy on par with ab initio and first-principles methods at a fraction of their computational cost. The success of machine-learned interatomic potentials arises from integrating inductive biases such as equivariance to group actions on an atomic system, e.g., equivariance to rotations and reflections. In particular, the field has notably advanced with the emergence of equivariant message-passing architectures. Most of these models represent an atomic system using spherical tensors, tensor products of which require complicated numerical coefficients and can be computationally demanding. This work introduces higher-rank irreducible Cartesian tensors as an alternative to spherical tensors, addressing the above limitations. We integrate irreducible Cartesian tensor products into message-passing neural networks and prove the equivariance of the resulting layers. Through empirical evaluations on various benchmark data sets, we consistently observe on-par or better performance than that of state-of-the-art spherical models.
Authors: Yefei He, Luoming Zhang, Weijia Wu, Jing Liu, Hong Zhou, Bohan Zhuang
Abstract: KV cache stores key and value states from previous tokens to avoid re-computation, yet it demands substantial storage space, especially for long sequences. Adaptive KV cache compression seeks to discern the saliency of tokens, preserving vital information while aggressively compressing those of less importance. However, previous methods of this approach exhibit significant performance degradation at high compression ratios due to inaccuracies in identifying salient tokens. In this paper, we present ZipCache, an accurate and efficient KV cache quantization method for LLMs. First, we construct a strong baseline for quantizing KV cache. Through the proposed channel-separable tokenwise quantization scheme, the memory overhead of quantization parameters are substantially reduced compared to fine-grained groupwise quantization. To enhance the compression ratio, we propose normalized attention score as an effective metric for identifying salient tokens by considering the lower triangle characteristics of the attention matrix. Moreover, we develop an efficient approximation method that decouples the saliency metric from full attention scores, enabling compatibility with fast attention implementations like FlashAttention. Extensive experiments demonstrate that ZipCache achieves superior compression ratios, fast generation speed and minimal performance losses compared with previous KV cache compression methods. For instance, when evaluating Mistral-7B model on GSM8k dataset, ZipCache is capable of compressing the KV cache by $4.98\times$, with only a $0.38\%$ drop in accuracy. In terms of efficiency, ZipCache also showcases a $37.3\%$ reduction in prefill-phase latency, a $56.9\%$ reduction in decoding-phase latency, and a $19.8\%$ reduction in GPU memory usage when evaluating LLaMA3-8B model with a input length of $4096$.
Authors: Zhixiong Jin, Dimitrios Tsitsokas, Nikolas Geroliminis, Ludovic Leclercq
Abstract: In large-scale traffic optimization, models based on Macroscopic Fundamental Diagram (MFD) are recognized for their efficiency in broad analyses. However, they fail to reflect variations in the individual traffic status of each road link, leading to a gap in detailed traffic optimization and analysis. To address the limitation, this study introduces a Local Correction Factor (LCF) that a function integrates MFD-derived network mean speed with network configurations to accurately estimate the individual speed of the link. We use a novel deep learning framework combining Graph Attention Networks (GATs) with Gated Recurrent Units (GRUs) to capture both spatial configurations and temporal dynamics of the network. Coupled with a strategic network partitioning method, our model enhances the precision of link-level traffic speed estimations while preserving the computational benefits of aggregate models. In the experiment, we evaluate the proposed LCF through various urban traffic scenarios, including different demand levels, origin-destination distributions, and road configurations. The results show the robust adaptability and effectiveness of the proposed model. Furthermore, we validate the practicality of our model by calculating the travel time of each randomly generated path, with the average error relative to MFD-based results being reduced to approximately 76%.
Authors: Guibin Zhang, Xiangguo Sun, Yanwei Yue, Kun Wang, Tianlong Chen, Shirui Pan
Abstract: Graph Neural Networks (GNNs) have demonstrated superior performance across various graph learning tasks but face significant computational challenges when applied to large-scale graphs. One effective approach to mitigate these challenges is graph sparsification, which involves removing non-essential edges to reduce computational overhead. However, previous graph sparsification methods often rely on a single global sparsity setting and uniform pruning criteria, failing to provide customized sparsification schemes for each node's complex local context. In this paper, we introduce Mixture-of-Graphs (MoG), leveraging the concept of Mixture-of-Experts (MoE), to dynamically select tailored pruning solutions for each node. Specifically, MoG incorporates multiple sparsifier experts, each characterized by unique sparsity levels and pruning criteria, and selects the appropriate experts for each node. Subsequently, MoG performs a mixture of the sparse graphs produced by different experts on the Grassmann manifold to derive an optimal sparse graph. One notable property of MoG is its entirely local nature, as it depends on the specific circumstances of each individual node. Extensive experiments on four large-scale OGB datasets and two superpixel datasets, equipped with five GNN backbones, demonstrate that MoG (I) identifies subgraphs at higher sparsity levels ($8.67\%\sim 50.85\%$), with performance equal to or better than the dense graph, (II) achieves $1.47-2.62\times$ speedup in GNN inference with negligible performance drop, and (III) boosts ``top-student'' GNN performance ($1.02\%\uparrow$ on RevGNN+\textsc{ogbn-proteins} and $1.74\%\uparrow$ on DeeperGCN+\textsc{ogbg-ppa}).
Authors: Tomu Tominaga, Naomi Yamashita, Takeshi Kurashima
Abstract: In this study, we critically examine the foundational premise of algorithmic recourse - a process of generating counterfactual action plans (i.e., recourses) assisting individuals to reverse adverse decisions made by AI systems. The assumption underlying algorithmic recourse is that individuals accept and act on recourses that minimize the gap between their current and desired states. This assumption, however, remains empirically unverified. To address this issue, we conducted a user study with 362 participants and assessed whether minimizing the distance function, a metric of the gap between the current and desired states, indeed prompts them to accept and act upon suggested recourses. Our findings reveal a nuanced landscape: participants' acceptance of recourses did not correlate with the recourse distance. Moreover, participants' willingness to act upon recourses peaked at the minimal recourse distance but was otherwise constant. These findings cast doubt on the prevailing assumption of algorithmic recourse research and signal the need to rethink the evaluation functions to pave the way for human-centered recourse generation.
Authors: Xiachong Lin, Arian Prabowo, Imran Razzak, Hao Xue, Matthew Amos, Sam Behrens, Stephen White, Flora D. Salim
Abstract: The growing need for sustainable energy solutions has driven the integration of digitalized buildings into the power grid, utilizing Internet-of-Things technology to optimize building performance and energy efficiency. However, incorporating IoT point data within deep-learning frameworks for energy management presents a complex challenge, predominantly due to the inherent data heterogeneity. This paper comprehensively analyzes the multifaceted heterogeneity present in real-world building IoT data streams. We meticulously dissect the heterogeneity across multiple dimensions, encompassing ontology, etiology, temporal irregularity, spatial diversity, and their combined effects on the IoT point data distribution. In addition, experiments using state-of-the-art forecasting models are conducted to evaluate their impacts on the performance of deep-learning models for forecasting tasks. By charting the diversity along these dimensions, we illustrate the challenges and delineate pathways for future research to leverage this heterogeneity as a resource rather than a roadblock. This exploration sets the stage for advancing the predictive abilities of deep-learning algorithms and catalyzing the evolution of intelligent energy-efficient buildings.
Authors: Matthias Chung, Rick Archibald, Paul Atzberger, Jack Michael Solomon
Abstract: Scientific datasets present unique challenges for machine learning-driven compression methods, including more stringent requirements on accuracy and mitigation of potential invalidating artifacts. Drawing on results from compressed sensing and rate-distortion theory, we introduce effective data compression methods by developing autoencoders using high dimensional latent spaces that are $L^1$-regularized to obtain sparse low dimensional representations. We show how these information-rich latent spaces can be used to mitigate blurring and other artifacts to obtain highly effective data compression methods for scientific data. We demonstrate our methods for short angle scattering (SAS) datasets showing they can achieve compression ratios around two orders of magnitude and in some cases better. Our compression methods show promise for use in addressing current bottlenecks in transmission, storage, and analysis in high-performance distributed computing environments. This is central to processing the large volume of SAS data being generated at shared experimental facilities around the world to support scientific investigations. Our approaches provide general ways for obtaining specialized compression methods for targeted scientific datasets.
Authors: Akira Kitaoka
Abstract: This paper tackles the problem of minimizing the prediction loss of the optimal solution (PLS) of the MILP with given data, which is one of the inverse optimization problems. While existing methods can approximately solve this problem, their implementation in the high-dimensional case to minimize the PLS is computationally expensive because they are inefficient in reducing the prediction loss of weights (PLW). We propose a fast algorithm for minimizing the PLS of MILP. To demonstrate this property, we attribute the problem of minimizing the PLS to that of minimizing the suboptimality loss (SL), which is convex. If the PLS does not vanish, we can adapt the SL to have the estimated loss (SPO loss) with a positive lower bound, which enables us to evaluate the PLW. Consequently, we prove that the proposed algorithm can effectively reduce the PLW and achieve the minimum value of PLS. Our numerical experiments demonstrated that our algorithm successfully achieved the minimum PLS. Compared to existing methods, our algorithm exhibited a smaller dimensionality effect and minimized the PLS in less than 1/7 the number of iterations. Especially in high dimensions, our algorithm significantly improved the PLS by more than two orders of magnitude compared to existing algorithms.
Authors: Yijia Zheng, Marcel Worring
Abstract: Hypergraphs are widely employed to represent complex higher-order relationships in real-world applications. Most hypergraph learning research focuses on node- or edge-level tasks. A practically relevant but more challenging task, edge-dependent node classification (ENC), is only recently proposed. In ENC, a node can have different labels across different hyperedges, which requires the modeling of node-hyperedge pairs instead of single nodes or hyperedges. Existing solutions for this task are based on message passing and model within-edge and within-node interactions as multi-input single-output functions. This brings three limitations: (1) non-adaptive representation size, (2) node/edge agnostic messages, and (3) insufficient interactions among nodes or hyperedges. To tackle these limitations, we develop CoNHD, a new solution based on hypergraph diffusion. Specifically, we first extend hypergraph diffusion using node-hyperedge co-representations. This extension explicitly models both within-edge and within-node interactions as multi-input multi-output functions using two equivariant diffusion operators. To avoid handcrafted regularization functions, we propose a neural implementation for the co-representation hypergraph diffusion process. Extensive experiments demonstrate the effectiveness and efficiency of the proposed CoNHD model.
Authors: Dezhong Yao, Sanmu Li, Yutong Dai, Zhiqiang Xu, Shengshan Hu, Peilin Zhao, Lichao Sun
Abstract: Federated continual learning (FCL) has received increasing attention due to its potential in handling real-world streaming data, characterized by evolving data distributions and varying client classes over time. The constraints of storage limitations and privacy concerns confine local models to exclusively access the present data within each learning cycle. Consequently, this restriction induces performance degradation in model training on previous data, termed "catastrophic forgetting". However, existing FCL approaches need to identify or know changes in data distribution, which is difficult in the real world. To release these limitations, this paper directs attention to a broader continuous framework. Within this framework, we introduce Federated Bayesian Neural Network (FedBNN), a versatile and efficacious framework employing a variational Bayesian neural network across all clients. Our method continually integrates knowledge from local and historical data distributions into a single model, adeptly learning from new data distributions while retaining performance on historical distributions. We rigorously evaluate FedBNN's performance against prevalent methods in federated learning and continual learning using various metrics. Experimental analyses across diverse datasets demonstrate that FedBNN achieves state-of-the-art results in mitigating forgetting.
Authors: Yongxin Guo, Zhenglin Cheng, Xiaoying Tang, Tao Lin
Abstract: The Sparse Mixture of Experts (SMoE) has been widely employed to enhance the efficiency of training and inference for Transformer-based foundational models, yielding promising results. However, the performance of SMoE heavily depends on the choice of hyper-parameters, such as the number of experts and the number of experts to be activated (referred to as top-k), resulting in significant computational overhead due to the extensive model training by searching over various hyper-parameter configurations. As a remedy, we introduce the Dynamic Mixture of Experts (DynMoE) technique. DynMoE incorporates (1) a novel gating method that enables each token to automatically determine the number of experts to activate. (2) An adaptive process automatically adjusts the number of experts during training. Extensive numerical results across Vision, Language, and Vision-Language tasks demonstrate the effectiveness of our approach to achieve competitive performance compared to GMoE for vision and language tasks, and MoE-LLaVA for vision-language tasks, while maintaining efficiency by activating fewer parameters. Our code is available at https://github.com/LINs-lab/DynMoE.
Authors: Jianqing Song, Jianguo Huang, Wenyu Jiang, Baoming Zhang, Shuangjie Li, Chongjun Wang
Abstract: Graph Neural Networks have achieved remarkable accuracy in semi-supervised node classification tasks. However, these results lack reliable uncertainty estimates. Conformal prediction methods provide a theoretical guarantee for node classification tasks, ensuring that the conformal prediction set contains the ground-truth label with a desired probability (e.g., 95%). In this paper, we empirically show that for each node, aggregating the non-conformity scores of nodes with the same label can improve the efficiency of conformal prediction sets. This observation motivates us to propose a novel algorithm named Similarity-Navigated Adaptive Prediction Sets (SNAPS), which aggregates the non-conformity scores based on feature similarity and structural neighborhood. The key idea behind SNAPS is that nodes with high feature similarity or direct connections tend to have the same label. By incorporating adaptive similar nodes information, SNAPS can generate compact prediction sets and increase the singleton hit ratio (correct prediction sets of size one). Moreover, we theoretically provide a finite-sample coverage guarantee of SNAPS. Extensive experiments demonstrate the superiority of SNAPS, improving the efficiency of prediction sets and singleton hit ratio while maintaining valid coverage.
Authors: Weigang Lu, Ziyu Guan, Wei Zhao, Yaming Yang
Abstract: Graph Neural Networks (GNNs) have revolutionized graph-based machine learning, but their heavy computational demands pose challenges for latency-sensitive edge devices in practical industrial applications. In response, a new wave of methods, collectively known as GNN-to-MLP Knowledge Distillation, has emerged. They aim to transfer GNN-learned knowledge to a more efficient MLP student, which offers faster, resource-efficient inference while maintaining competitive performance compared to GNNs. However, these methods face significant challenges in situations with insufficient training data and incomplete test data, limiting their applicability in real-world applications. To address these challenges, we propose AdaGMLP, an AdaBoosting GNN-to-MLP Knowledge Distillation framework. It leverages an ensemble of diverse MLP students trained on different subsets of labeled nodes, addressing the issue of insufficient training data. Additionally, it incorporates a Node Alignment technique for robust predictions on test data with missing or incomplete features. Our experiments on seven benchmark datasets with different settings demonstrate that AdaGMLP outperforms existing G2M methods, making it suitable for a wide range of latency-sensitive real-world applications. We have submitted our code to the GitHub repository (https://github.com/WeigangLu/AdaGMLP-KDD24).
Authors: Nikolaos Karaliolios, Herv\'e Le Borgne, Florian Chabot
Abstract: Semi-Supervised Learning (SSL) seeks to leverage large amounts of non-annotated data along with the smallest amount possible of annotated data in order to achieve the same level of performance as if all data were annotated. A fruitful method in SSL is Pseudo-Labeling (PL), which, however, suffers from the important drawback that the associated loss function has discontinuities in its derivatives, which cause instabilities in performance when labels are very scarce. In the present work, we address this drawback with the introduction of a Smooth Pseudo-Labeling (SP L) loss function. It consists in adding a multiplicative factor in the loss function that smooths out the discontinuities in the derivative due to thresholding. In our experiments, we test our improvements on FixMatch and show that it significantly improves the performance in the regime of scarce labels, without addition of any modules, hyperparameters, or computational overhead. In the more stable regime of abundant labels, performance remains at the same level. Robustness with respect to variation of hyperparameters and training parameters is also significantly improved. Moreover, we introduce a new benchmark, where labeled images are selected randomly from the whole dataset, without imposing representation of each class proportional to its frequency in the dataset. We see that the smooth version of FixMatch does appear to perform better than the original, non-smooth implementation. However, more importantly, we notice that both implementations do not necessarily see their performance improve when labeled images are added, an important issue in the design of SSL algorithms that should be addressed so that Active Learning algorithms become more reliable and explainable.
Authors: Ngoc Bui, Hieu Trung Nguyen, Viet Anh Nguyen, Rex Ying
Abstract: The Shapley value is a prominent tool for interpreting black-box machine learning models thanks to its strong theoretical foundation. However, for models with structured inputs, such as graph neural networks, existing Shapley-based explainability approaches either focus solely on node-wise importance or neglect the graph structure when perturbing the input instance. This paper introduces the Myerson-Taylor interaction index that internalizes the graph structure into attributing the node values and the interaction values among nodes. Unlike the Shapley-based methods, the Myerson-Taylor index decomposes coalitions into components satisfying a pre-chosen connectivity criterion. We prove that the Myerson-Taylor index is the unique one that satisfies a system of five natural axioms accounting for graph structure and high-order interaction among nodes. Leveraging these properties, we propose Myerson-Taylor Structure-Aware Graph Explainer (MAGE), a novel explainer that uses the second-order Myerson-Taylor index to identify the most important motifs influencing the model prediction, both positively and negatively. Extensive experiments on various graph datasets and models demonstrate that our method consistently provides superior subgraph explanations compared to state-of-the-art methods.
Authors: Gaia Saveri, Luca Bortolussi
Abstract: The integration of cyber-physical systems (CPS) into everyday life raises the critical necessity of ensuring their safety and reliability. An important step in this direction is requirement mining, i.e. inferring formally specified system properties from observed behaviors, in order to discover knowledge about the system. Signal Temporal Logic (STL) offers a concise yet expressive language for specifying requirements, particularly suited for CPS, where behaviors are typically represented as time series data. This work addresses the task of learning STL requirements from observed behaviors in a data-driven manner, focusing on binary classification, i.e. on inferring properties of the system which are able to discriminate between regular and anomalous behaviour, and that can be used both as classifiers and as monitors of the compliance of the CPS to desirable specifications. We present a novel framework that combines Bayesian Optimization (BO) and Information Retrieval (IR) techniques to simultaneously learn both the structure and the parameters of STL formulae, without restrictions on the STL grammar. Specifically, we propose a framework that leverages a dense vector database containing semantic-preserving continuous representations of millions of formulae, queried for facilitating the mining of requirements inside a BO loop. We demonstrate the effectiveness of our approach in several signal classification applications, showing its ability to extract interpretable insights from system executions and advance the state-of-the-art in requirement mining for CPS.
Authors: Haixu Wu, Huakun Luo, Yuezhou Ma, Jianmin Wang, Mingsheng Long
Abstract: Physics-informed neural networks (PINNs) have been widely applied to solve partial differential equations (PDEs) by enforcing outputs and gradients of deep models to satisfy target equations. Due to the limitation of numerical computation, PINNs are conventionally optimized on finite selected points. However, since PDEs are usually defined on continuous domains, solely optimizing models on scattered points may be insufficient to obtain an accurate solution for the whole domain. To mitigate this inherent deficiency of the default scatter-point optimization, this paper proposes and theoretically studies a new training paradigm as region optimization. Concretely, we propose to extend the optimization process of PINNs from isolated points to their continuous neighborhood regions, which can theoretically decrease the generalization error, especially for hidden high-order constraints of PDEs. A practical training algorithm, Region Optimized PINN (RoPINN), is seamlessly derived from this new paradigm, which is implemented by a straightforward but effective Monte Carlo sampling method. By calibrating the sampling process into trust regions, RoPINN finely balances sampling efficiency and generalization error. Experimentally, RoPINN consistently boosts the performance of diverse PINNs on a wide range of PDEs without extra backpropagation or gradient calculation.
Authors: Francesco Emanuele Stradi, Anna Lunghi, Matteo Castiglioni, Alberto Marchesi, Nicola Gatti
Abstract: In constrained Markov decision processes (CMDPs) with adversarial rewards and constraints, a well-known impossibility result prevents any algorithm from attaining both sublinear regret and sublinear constraint violation, when competing against a best-in-hindsight policy that satisfies constraints on average. In this paper, we show that this negative result can be eased in CMDPs with non-stationary rewards and constraints, by providing algorithms whose performances smoothly degrade as non-stationarity increases. Specifically, we propose algorithms attaining $\tilde{\mathcal{O}} (\sqrt{T} + C)$ regret and positive constraint violation under bandit feedback, where $C$ is a corruption value measuring the environment non-stationarity. This can be $\Theta(T)$ in the worst case, coherently with the impossibility result for adversarial CMDPs. First, we design an algorithm with the desired guarantees when $C$ is known. Then, in the case $C$ is unknown, we show how to obtain the same results by embedding such an algorithm in a general meta-procedure. This is of independent interest, as it can be applied to any non-stationary constrained online learning setting.
Authors: Zi Yang, Samridhi Choudhary, Xinfeng Xie, Cao Gao, Siegfried Kunzmann, Zheng Zhang
Abstract: Training large AI models such as deep learning recommendation systems and foundation language (or multi-modal) models costs massive GPUs and computing time. The high training cost has become only affordable to big tech companies, meanwhile also causing increasing concerns about the environmental impact. This paper presents CoMERA, a Computing- and Memory-Efficient training method via Rank-Adaptive tensor optimization. CoMERA achieves end-to-end rank-adaptive tensor-compressed training via a multi-objective optimization formulation, and improves the training to provide both a high compression ratio and excellent accuracy in the training process. Our optimized numerical computation (e.g., optimized tensorized embedding and tensor-vector contractions) and GPU implementation eliminate part of the run-time overhead in the tensorized training on GPU. This leads to, for the first time, $2-3\times$ speedup per training epoch compared with standard training. CoMERA also outperforms the recent GaLore in terms of both memory and computing efficiency. Specifically, CoMERA is $2\times$ faster per training epoch and $9\times$ more memory-efficient than GaLore on a tested six-encoder transformer with single-batch training. With further HPC optimization, CoMERA may significantly reduce the training cost of large language models.
Authors: Marion Neumeier, Sebastian Dorn, Michael Botsch, Wolfgang Utschick
Abstract: This work introduces the conditioned Vehicle Motion Diffusion (cVMD) model, a novel network architecture for highway trajectory prediction using diffusion models. The proposed model ensures the drivability of the predicted trajectory by integrating non-holonomic motion constraints and physical constraints into the generative prediction module. Central to the architecture of cVMD is its capacity to perform uncertainty quantification, a feature that is crucial in safety-critical applications. By integrating the quantified uncertainty into the prediction process, the cVMD's trajectory prediction performance is improved considerably. The model's performance was evaluated using the publicly available highD dataset. Experiments show that the proposed architecture achieves competitive trajectory prediction accuracy compared to state-of-the-art models, while providing guaranteed drivable trajectories and uncertainty quantification.
Authors: Shangshang Yang, Linrui Qin, Xiaoshan Yu
Abstract: In the realm of intelligent education, cognitive diagnosis plays a crucial role in subsequent recommendation tasks attributed to the revealed students' proficiency in knowledge concepts. Although neural network-based neural cognitive diagnosis models (CDMs) have exhibited significantly better performance than traditional models, neural cognitive diagnosis is criticized for the poor model interpretability due to the multi-layer perception (MLP) employed, even with the monotonicity assumption. Therefore, this paper proposes to empower the interpretability of neural cognitive diagnosis models through efficient kolmogorov-arnold networks (KANs), named KAN2CD, where KANs are designed to enhance interpretability in two manners. Specifically, in the first manner, KANs are directly used to replace the used MLPs in existing neural CDMs; while in the second manner, the student embedding, exercise embedding, and concept embedding are directly processed by several KANs, and then their outputs are further combined and learned in a unified KAN to get final predictions. To overcome the problem of training KANs slowly, we modify the implementation of original KANs to accelerate the training. Experiments on four real-world datasets show that the proposed KA2NCD exhibits better performance than traditional CDMs, and the proposed KA2NCD still has a bit of performance leading even over the existing neural CDMs. More importantly, the learned structures of KANs enable the proposed KA2NCD to hold as good interpretability as traditional CDMs, which is superior to existing neural CDMs. Besides, the training cost of the proposed KA2NCD is competitive to existing models.
Authors: Mikalai Korbit, Adeyemi D. Adeoye, Alberto Bemporad, Mario Zanon
Abstract: We present EGN, a stochastic second-order optimization algorithm that combines the generalized Gauss-Newton (GN) Hessian approximation with low-rank linear algebra to compute the descent direction. Leveraging the Duncan-Guttman matrix identity, the parameter update is obtained by factorizing a matrix which has the size of the mini-batch. This is particularly advantageous for large-scale machine learning problems where the dimension of the neural network parameter vector is several orders of magnitude larger than the batch size. Additionally, we show how improvements such as line search, adaptive regularization, and momentum can be seamlessly added to EGN to further accelerate the algorithm. Moreover, under mild assumptions, we prove that our algorithm converges to an $\epsilon$-stationary point at a linear rate. Finally, our numerical experiments demonstrate that EGN consistently exceeds, or at most matches the generalization performance of well-tuned SGD, Adam, and SGN optimizers across various supervised and reinforcement learning tasks.
Authors: He Zhang, Bang Wu, Xiangwen Yang, Xingliang Yuan, Chengqi Zhang, Shirui Pan
Abstract: Graph unlearning has emerged as an essential tool for safeguarding user privacy and mitigating the negative impacts of undesirable data. Meanwhile, the advent of dynamic graph neural networks (DGNNs) marks a significant advancement due to their superior capability in learning from dynamic graphs, which encapsulate spatial-temporal variations in diverse real-world applications (e.g., traffic forecasting). With the increasing prevalence of DGNNs, it becomes imperative to investigate the implementation of dynamic graph unlearning. However, current graph unlearning methodologies are designed for GNNs operating on static graphs and exhibit limitations including their serving in a pre-processing manner and impractical resource demands. Furthermore, the adaptation of these methods to DGNNs presents non-trivial challenges, owing to the distinctive nature of dynamic graphs. To this end, we propose an effective, efficient, model-agnostic, and post-processing method to implement DGNN unlearning. Specifically, we first define the unlearning requests and formulate dynamic graph unlearning in the context of continuous-time dynamic graphs. After conducting a role analysis on the unlearning data, the remaining data, and the target DGNN model, we propose a method called Gradient Transformation and a loss function to map the unlearning request to the desired parameter update. Evaluations on six real-world datasets and state-of-the-art DGNN backbones demonstrate its effectiveness (e.g., limited performance drop even obvious improvement) and efficiency (e.g., at most 7.23$\times$ speed-up) outperformance, and potential advantages in handling future unlearning requests (e.g., at most 32.59$\times$ speed-up).
Authors: Pouria Saidi, Gautam Dasarathy, Visar Berisha
Abstract: Machine Learning (ML) is increasingly used across many disciplines with impressive reported results across many domain areas. However, recent studies suggest that the published performance of ML models are often overoptimistic and not reflective of true accuracy were these models to be deployed. Validity concerns are underscored by findings of a concerning inverse relationship between sample size and reported accuracy in published ML models across several domains. This is in contrast with the theory of learning curves in ML, where we expect accuracy to improve or stay the same with increasing sample size. This paper investigates the factors contributing to overoptimistic accuracy reports in ML-based science, focusing on data leakage and publication bias. Our study introduces a novel stochastic model for observed accuracy, integrating parametric learning curves and the above biases. We then construct an estimator based on this model that corrects for these biases in observed data. Theoretical and empirical results demonstrate that this framework can estimate the underlying learning curve that gives rise to the observed overoptimistic results, thereby providing more realistic performance assessments of ML performance from a collection of published results. We apply the model to various meta-analyses in the digital health literature, including neuroimaging-based and speech-based classifications of several neurological conditions. Our results indicate prevalent overoptimism across these fields and we estimate the inherent limits of ML-based prediction in each domain.
Authors: Kabir Dabholkar, Omri Barak
Abstract: Latent variable models serve as powerful tools to infer underlying dynamics from observed neural activity. However, due to the absence of ground truth data, prediction benchmarks are often employed as proxies. In this study, we reveal the limitations of the widely-used 'co-smoothing' prediction framework and propose an improved few-shot prediction approach that encourages more accurate latent dynamics. Utilizing a student-teacher setup with Hidden Markov Models, we demonstrate that the high co-smoothing model space can encompass models with arbitrary extraneous dynamics within their latent representations. To address this, we introduce a secondary metric -- a few-shot version of co-smoothing. This involves performing regression from the latent variables to held-out channels in the data using fewer trials. Our results indicate that among models with near-optimal co-smoothing, those with extraneous dynamics underperform in the few-shot co-smoothing compared to 'minimal' models devoid of such dynamics. We also provide analytical insights into the origin of this phenomenon. We further validate our findings on real neural data using two state-of-the-art methods: LFADS and STNDT. In the absence of ground truth, we suggest a proxy measure to quantify extraneous dynamics. By cross-decoding the latent variables of all model pairs with high co-smoothing, we identify models with minimal extraneous dynamics. We find a correlation between few-shot co-smoothing performance and this new measure. In summary, we present a novel prediction metric designed to yield latent variables that more accurately reflect the ground truth, offering a significant improvement for latent dynamics inference.
Authors: Youssef Allouah, Rachid Guerraoui, Nirupam Gupta, Ahmed Jellouli, Geovani Rizk, John Stephan
Abstract: Robust distributed learning consists in achieving good learning performance despite the presence of misbehaving workers. State-of-the-art (SOTA) robust distributed gradient descent (Robust-DGD) methods, relying on robust aggregation, have been proven to be optimal: Their learning error matches the lower bound established under the standard heterogeneity model of $(G, B)$-gradient dissimilarity. The learning guarantee of SOTA Robust-DGD cannot be further improved when model initialization is done arbitrarily. However, we show that it is possible to circumvent the lower bound, and improve the learning performance, when the workers' gradients at model initialization are assumed to be bounded. We prove this by proposing pre-aggregation clipping of workers' gradients, using a novel scheme called adaptive robust clipping (ARC). Incorporating ARC in Robust-DGD provably improves the learning, under the aforementioned assumption on model initialization. The factor of improvement is prominent when the tolerable fraction of misbehaving workers approaches the breakdown point. ARC induces this improvement by constricting the search space, while preserving the robustness property of the original aggregation scheme at the same time. We validate this theoretical finding through exhaustive experiments on benchmark image classification tasks.
Authors: Michelle Halbheer, Dominik J. M\"uhlematter, Alexander Becker, Dominik Narnhofer, Helge Aasen, Konrad Schindler, Mehmet Ozgur Turkoglu
Abstract: Numerous crucial tasks in real-world decision-making rely on machine learning algorithms with calibrated uncertainty estimates. However, modern methods often yield overconfident and uncalibrated predictions. Various approaches involve training an ensemble of separate models to quantify the uncertainty related to the model itself, known as epistemic uncertainty. In an explicit implementation, the ensemble approach has high computational cost and high memory requirements. This particular challenge is evident in state-of-the-art neural networks such as transformers, where even a single network is already demanding in terms of compute and memory. Consequently, efforts are made to emulate the ensemble model without actually instantiating separate ensemble members, referred to as implicit ensembling. We introduce LoRA-Ensemble, a parameter-efficient deep ensemble method for self-attention networks, which is based on Low-Rank Adaptation (LoRA). Initially developed for efficient LLM fine-tuning, we extend LoRA to an implicit ensembling approach. By employing a single pre-trained self-attention network with weights shared across all members, we train member-specific low-rank matrices for the attention projections. Our method exhibits superior calibration compared to explicit ensembles and achieves similar or better accuracy across various prediction tasks and datasets.
Authors: Rafael Oliveira, Dino Sejdinovic, David Howard, Edwin Bonilla
Abstract: The process of calibrating computer models of natural phenomena is essential for applications in the physical sciences, where plenty of domain knowledge can be embedded into simulations and then calibrated against real observations. Current machine learning approaches, however, mostly rely on rerunning simulations over a fixed set of designs available in the observed data, potentially neglecting informative correlations across the design space and requiring a large amount of simulations. Instead, we consider the calibration process from the perspective of Bayesian adaptive experimental design and propose a data-efficient algorithm to run maximally informative simulations within a batch-sequential process. At each round, the algorithm jointly estimates the parameters of the posterior distribution and optimal designs by maximising a variational lower bound of the expected information gain. The simulator is modelled as a sample from a Gaussian process, which allows us to correlate simulations and observed data with the unknown calibration parameters. We show the benefits of our method when compared to related approaches across synthetic and real-data problems.
Authors: Alex Iacob, Lorenzo Sani, Bill Marino, Preslav Aleksandrov, Nicholas Donald Lane
Abstract: The reliance of language model training on massive amounts of computation and vast datasets scraped from potentially low-quality, copyrighted, or sensitive data has come into question practically, legally, and ethically. Federated learning provides a plausible alternative by enabling previously untapped data to be voluntarily gathered from collaborating organizations. However, when scaled globally, federated learning requires collaboration across heterogeneous legal, security, and privacy regimes while accounting for the inherent locality of language data; this further exacerbates the established challenge of federated statistical heterogeneity. We propose a Worldwide Federated Language Model Training~(WorldLM) system based on federations of federations, where each federation has the autonomy to account for factors such as its industry, operating jurisdiction, or competitive environment. WorldLM enables such autonomy in the presence of statistical heterogeneity via partial model localization by allowing sub-federations to attentively aggregate key layers from their constituents. Furthermore, it can adaptively share information across federations via residual layer embeddings. Evaluations of language modeling on naturally heterogeneous datasets show that WorldLM outperforms standard federations by up to $1.91\times$, approaches the personalized performance of fully local models, and maintains these advantages under privacy-enhancing techniques.
Authors: Nikita Gushchin, Daniil Selikhanovych, Sergei Kholkin, Evgeny Burnaev, Alexander Korotin
Abstract: The Schr\"odinger Bridge (SB) problem offers a powerful framework for combining optimal transport and diffusion models. A promising recent approach to solve the SB problem is the Iterative Markovian Fitting (IMF) procedure, which alternates between Markovian and reciprocal projections of continuous-time stochastic processes. However, the model built by the IMF procedure has a long inference time due to using many steps of numerical solvers for stochastic differential equations. To address this limitation, we propose a novel Discrete-time IMF (D-IMF) procedure in which learning of stochastic processes is replaced by learning just a few transition probabilities in discrete time. Its great advantage is that in practice it can be naturally implemented using the Denoising Diffusion GAN (DD-GAN), an already well-established adversarial generative modeling technique. We show that our D-IMF procedure can provide the same quality of unpaired domain translation as the IMF, using only several generation steps instead of hundreds.
Authors: Tudor Cebere, Aur\'elien Bellet, Nicolas Papernot
Abstract: Machine learning models can be trained with formal privacy guarantees via differentially private optimizers such as DP-SGD. In this work, we study such privacy guarantees when the adversary only accesses the final model, i.e., intermediate model updates are not released. In the existing literature, this hidden state threat model exhibits a significant gap between the lower bound provided by empirical privacy auditing and the theoretical upper bound provided by privacy accounting. To challenge this gap, we propose to audit this threat model with adversaries that craft a gradient sequence to maximize the privacy loss of the final model without accessing intermediate models. We demonstrate experimentally how this approach consistently outperforms prior attempts at auditing the hidden state model. When the crafted gradient is inserted at every optimization step, our results imply that releasing only the final model does not amplify privacy, providing a novel negative result. On the other hand, when the crafted gradient is not inserted at every step, we show strong evidence that a privacy amplification phenomenon emerges in the general non-convex setting (albeit weaker than in convex regimes), suggesting that existing privacy upper bounds can be improved.
Authors: Peter S\'uken\'ik, Marco Mondelli, Christoph Lampert
Abstract: Deep neural networks (DNNs) exhibit a surprising structure in their final layer known as neural collapse (NC), and a growing body of works has currently investigated the propagation of neural collapse to earlier layers of DNNs -- a phenomenon called deep neural collapse (DNC). However, existing theoretical results are restricted to special cases: linear models, only two layers or binary classification. In contrast, we focus on non-linear models of arbitrary depth in multi-class classification and reveal a surprising qualitative shift. As soon as we go beyond two layers or two classes, DNC stops being optimal for the deep unconstrained features model (DUFM) -- the standard theoretical framework for the analysis of collapse. The main culprit is a low-rank bias of multi-layer regularization schemes: this bias leads to optimal solutions of even lower rank than the neural collapse. We support our theoretical findings with experiments on both DUFM and real data, which show the emergence of the low-rank structure in the solution found by gradient descent.
Authors: Andreas Maurer
Abstract: The paper proves generalization results for a class of stochastic learning algorithms. The method applies whenever the algorithm generates an absolutely continuous distribution relative to some a-priori measure and the Radon Nikodym derivative has subgaussian concentration. Applications are bounds for the Gibbs algorithm and randomizations of stable deterministic algorithms as well as PAC-Bayesian bounds with data-dependent priors.
Authors: Hadi Vafaii, Dekel Galor, Jacob L. Yates
Abstract: Variational autoencoders (VAE) employ Bayesian inference to interpret sensory inputs, mirroring processes that occur in primate vision across both ventral (Higgins et al., 2021) and dorsal (Vafaii et al., 2023) pathways. Despite their success, traditional VAEs rely on continuous latent variables, which deviates sharply from the discrete nature of biological neurons. Here, we developed the Poisson VAE (P-VAE), a novel architecture that combines principles of predictive coding with a VAE that encodes inputs into discrete spike counts. Combining Poisson-distributed latent variables with predictive coding introduces a metabolic cost term in the model loss function, suggesting a relationship with sparse coding which we verify empirically. Additionally, we analyze the geometry of learned representations, contrasting the P-VAE to alternative VAE models. We find that the P-VAEencodes its inputs in relatively higher dimensions, facilitating linear separability of categories in a downstream classification task with a much better (5x) sample efficiency. Our work provides an interpretable computational framework to study brain-like sensory processing and paves the way for a deeper understanding of perception as an inferential process.
Authors: Seyedmorteza Sadat, Jakob Buhmann, Derek Bradley, Otmar Hilliges, Romann M. Weber
Abstract: Advances in latent diffusion models (LDMs) have revolutionized high-resolution image generation, but the design space of the autoencoder that is central to these systems remains underexplored. In this paper, we introduce LiteVAE, a family of autoencoders for LDMs that leverage the 2D discrete wavelet transform to enhance scalability and computational efficiency over standard variational autoencoders (VAEs) with no sacrifice in output quality. We also investigate the training methodologies and the decoder architecture of LiteVAE and propose several enhancements that improve the training dynamics and reconstruction quality. Our base LiteVAE model matches the quality of the established VAEs in current LDMs with a six-fold reduction in encoder parameters, leading to faster training and lower GPU memory requirements, while our larger model outperforms VAEs of comparable complexity across all evaluated metrics (rFID, LPIPS, PSNR, and SSIM).
Authors: Sujai Hiremath, Jacqueline R. M. A. Maasch, Mengxiao Gao, Promit Ghosal, Kyra Gan
Abstract: Learning the unique directed acyclic graph corresponding to an unknown causal model is a challenging task. Methods based on functional causal models can identify a unique graph, but either suffer from the curse of dimensionality or impose strong parametric assumptions. To address these challenges, we propose a novel hybrid approach for global causal discovery in observational data that leverages local causal substructures. We first present a topological sorting algorithm that leverages ancestral relationships in linear structural equation models to establish a compact top-down hierarchical ordering, encoding more causal information than linear orderings produced by existing methods. We demonstrate that this approach generalizes to nonlinear settings with arbitrary noise. We then introduce a nonparametric constraint-based algorithm that prunes spurious edges by searching for local conditioning sets, achieving greater accuracy than current methods. We provide theoretical guarantees for correctness and worst-case polynomial time complexities, with empirical validation on synthetic data.
Authors: Songze Li, Ruoxi Cheng, Xiaojun Jia
Abstract: The widespread usage of large-scale multimodal models like CLIP has heightened concerns about the leakage of personally identifiable information (PII). Existing methods for identity inference in CLIP models, i.e., to detect the presence of a person's PII used for training a CLIP model, require querying the model with full PII, including textual descriptions of the person and corresponding images (e.g., the name and the face photo of the person). However, this may lead to potential privacy breach of the image, as it may have not been seen by the target model yet. Additionally, traditional membership inference attacks (MIAs) train shadow models to mimic the behaviors of the target model, which incurs high computational costs, especially for large CLIP models. To address these challenges, we propose a textual unimodal detector (TUNI) in CLIP models, a novel method for ID inference that 1) queries the target model with only text data; and 2) does not require training shadow models. Firstly, we develop a feature extraction algorithm, guided by the CLIP model, to extract features from a text description. TUNI starts with randomly generating textual gibberish that were clearly not utilized for training, and leverages their feature vectors to train a system of anomaly detectors. During inference, the feature vector of each test text is fed into the anomaly detectors to determine if the person's PII is in the training set (abnormal) or not (normal). Moreover, TUNI can be further strengthened integrating real images associated with the tested individuals, if available at the detector. Extensive experiments of TUNI across various CLIP model architectures and datasets demonstrate its superior performance over baselines, albeit with only text data.
Authors: Marco Rando, Luca Demetrio, Lorenzo Rosasco, Fabio Roli
Abstract: Machine learning malware detectors are vulnerable to adversarial EXEmples, i.e. carefully-crafted Windows programs tailored to evade detection. Unlike other adversarial problems, attacks in this context must be functionality-preserving, a constraint which is challenging to address. As a consequence heuristic algorithms are typically used, that inject new content, either randomly-picked or harvested from legitimate programs. In this paper, we show how learning malware detectors can be cast within a zeroth-order optimization framework which allows to incorporate functionality-preserving manipulations. This permits the deployment of sound and efficient gradient-free optimization algorithms, which come with theoretical guarantees and allow for minimal hyper-parameters tuning. As a by-product, we propose and study ZEXE, a novel zero-order attack against Windows malware detection. Compared to state-of-the-art techniques, ZEXE provides drastic improvement in the evasion rate, while reducing to less than one third the size of the injected content.
Authors: Gaurav Maheshwari, Aur\'elien Bellet, Pascal Denis, Mikaela Keller
Abstract: In this paper, we introduce a data augmentation approach specifically tailored to enhance intersectional fairness in classification tasks. Our method capitalizes on the hierarchical structure inherent to intersectionality, by viewing groups as intersections of their parent categories. This perspective allows us to augment data for smaller groups by learning a transformation function that combines data from these parent groups. Our empirical analysis, conducted on four diverse datasets including both text and images, reveals that classifiers trained with this data augmentation approach achieve superior intersectional fairness and are more robust to ``leveling down'' when compared to methods optimizing traditional group fairness metrics.
Authors: Yuya Yoshikawa, Masanari Kimura, Ryotaro Shimizu, Yuki Saito
Abstract: Techniques that explain the predictions of black-box machine learning models are crucial to make the models transparent, thereby increasing trust in AI systems. The input features to the models often have a nested structure that consists of high- and low-level features, and each high-level feature is decomposed into multiple low-level features. For such inputs, both high-level feature attributions (HiFAs) and low-level feature attributions (LoFAs) are important for better understanding the model's decision. In this paper, we propose a model-agnostic local explanation method that effectively exploits the nested structure of the input to estimate the two-level feature attributions simultaneously. A key idea of the proposed method is to introduce the consistency property that should exist between the HiFAs and LoFAs, thereby bridging the separate optimization problems for estimating them. Thanks to this consistency property, the proposed method can produce HiFAs and LoFAs that are both faithful to the black-box models and consistent with each other, using a smaller number of queries to the models. In experiments on image classification in multiple instance learning and text classification using language models, we demonstrate that the HiFAs and LoFAs estimated by the proposed method are accurate, faithful to the behaviors of the black-box models, and provide consistent explanations.
Authors: Guillaume Couairon, Christian Lessig, Anastase Charantonis, Claire Monteleoni
Abstract: One of the guiding principles for designing AI-based weather forecasting systems is to embed physical constraints as inductive priors in the neural network architecture. A popular prior is locality, where the atmospheric data is processed with local neural interactions, like 3D convolutions or 3D local attention windows as in Pangu-Weather. On the other hand, some works have shown great success in weather forecasting without this locality principle, at the cost of a much higher parameter count. In this paper, we show that the 3D local processing in Pangu-Weather is computationally sub-optimal. We design ArchesWeather, a transformer model that combines 2D attention with a column-wise attention-based feature interaction module, and demonstrate that this design improves forecasting skill. ArchesWeather is trained at 1.5{\deg} resolution and 24h lead time, with a training budget of a few GPU-days and a lower inference cost than competing methods. An ensemble of two of our best models shows competitive RMSE scores with the IFS HRES and outperforms the 1.4{\deg} 50-members NeuralGCM ensemble for one day ahead forecasting. Code and models will be made publicly available at https://github.com/gcouairon/ArchesWeather.
Authors: Christopher Scarvelis, Justin Solomon
Abstract: Penalizing the nuclear norm of a function's Jacobian encourages it to locally behave like a low-rank linear map. Such functions vary locally along only a handful of directions, making the Jacobian nuclear norm a natural regularizer for machine learning problems. However, this regularizer is intractable for high-dimensional problems, as it requires computing a large Jacobian matrix and taking its singular value decomposition. We show how to efficiently penalize the Jacobian nuclear norm using techniques tailor-made for deep learning. We prove that for functions parametrized as compositions $f = g \circ h$, one may equivalently penalize the average squared Frobenius norm of $Jg$ and $Jh$. We then propose a denoising-style approximation that avoids the Jacobian computations altogether. Our method is simple, efficient, and accurate, enabling Jacobian nuclear norm regularization to scale to high-dimensional deep learning problems. We complement our theory with an empirical study of our regularizer's performance and investigate applications to denoising and representation learning.
Authors: Amir Mohammad Abouei, Ehsan Mokhtarian, Negar Kiyavash, Matthias Grossglauser
Abstract: The s-ID problem seeks to compute a causal effect in a specific sub-population from the observational data pertaining to the same sub population (Abouei et al., 2023). This problem has been addressed when all the variables in the system are observable. In this paper, we consider an extension of the s-ID problem that allows for the presence of latent variables. To tackle the challenges induced by the presence of latent variables in a sub-population, we first extend the classical relevant graphical definitions, such as c-components and Hedges, initially defined for the so-called ID problem (Pearl, 1995; Tian & Pearl, 2002), to their new counterparts. Subsequently, we propose a sound algorithm for the s-ID problem with latent variables.
Authors: Levi E. Lingsch, Dana Grund, Siddhartha Mishra, Georgios Kissas
Abstract: The joint prediction of continuous fields and statistical estimation of the underlying discrete parameters is a common problem for many physical systems, governed by PDEs. Hitherto, it has been separately addressed by employing operator learning surrogates for field prediction while using simulation-based inference (and its variants) for statistical parameter determination. Here, we argue that solving both problems within the same framework can lead to consistent gains in accuracy and robustness. To this end, We propose a novel and flexible formulation of the operator learning problem that allows jointly predicting continuous quantities and inferring distributions of discrete parameters, and thus amortizing the cost of both the inverse and the surrogate models to a joint pre-training step. We present the capabilities of the proposed methodology for predicting continuous and discrete biomarkers in full-body haemodynamics simulations under different levels of missing information. We also consider a test case for atmospheric large-eddy simulation of a two-dimensional dry cold bubble, where we infer both continuous time-series and information about the systems conditions. We present comparisons against different baselines to showcase significantly increased accuracy in both the inverse and the surrogate tasks.
Authors: Adibvafa Fallahpour, Mahshid Alinoori, Arash Afkanpour, Amrit Krishnan
Abstract: Transformers have significantly advanced the modeling of Electronic Health Records (EHR), yet their deployment in real-world healthcare is limited by several key challenges. Firstly, the quadratic computational cost and insufficient context length of these models pose significant obstacles for hospitals in processing the extensive medical histories typical in EHR data. Additionally, existing models employ separate finetuning for each clinical task, complicating maintenance in healthcare environments. Moreover, these models focus exclusively on either clinical prediction or EHR forecasting, lacking the flexibility to perform well across both. To overcome these limitations, we introduce EHRMamba, a robust foundation model built on the Mamba architecture. EHRMamba can process sequences up to four times longer than previous models due to its linear computational cost. We also introduce a novel approach to Multitask Prompted Finetuning (MTF) for EHR data, which enables EHRMamba to simultaneously learn multiple clinical tasks in a single finetuning phase, significantly enhancing deployment and cross-task generalization. Furthermore, our model leverages the HL7 FHIR data standard to simplify integration into existing hospital systems. Alongside EHRMamba, we open-source Odyssey, a toolkit designed to support the development and deployment of EHR foundation models, with an emphasis on data standardization and interpretability. Our evaluations on the MIMIC-IV dataset demonstrate that EHRMamba advances state-of-the-art performance across 6 major clinical tasks and excels in EHR forecasting, marking a significant leap forward in the field.
Authors: Shuaipeng Li, Penghao Zhao, Hailin Zhang, Xingwu Sun, Hao Wu, Dian Jiao, Weiyan Wang, Chengjun Liu, Zheng Fang, Jinbao Xue, Yangyu Tao, Bin Cui, Di Wang
Abstract: In current deep learning tasks, Adam style optimizers such as Adam, Adagrad, RMSProp, Adafactor, and Lion have been widely used as alternatives to SGD style optimizers. These optimizers typically update model parameters using the sign of gradients, resulting in more stable convergence curves. The learning rate and the batch size are the most critical hyperparameters for optimizers, which require careful tuning to enable effective convergence. Previous research has shown that the optimal learning rate increases linearly or follows similar rules with batch size for SGD style optimizers. However, this conclusion is not applicable to Adam style optimizers. In this paper, we elucidate the connection between optimal learning rates and batch sizes for Adam style optimizers through both theoretical analysis and extensive experiments. First, we raise the scaling law between batch sizes and optimal learning rates in the sign of gradient case, in which we prove that the optimal learning rate first rises and then falls as the batch size increases. Moreover, the peak value of the surge will gradually move toward the larger batch size as training progresses. Second, we conducted experiments on various CV and NLP tasks and verified the correctness of the scaling law.
Authors: Ryuichi Kanoh, Mahito Sugiyama
Abstract: Linear Mode Connectivity (LMC) refers to the phenomenon that performance remains consistent for linearly interpolated models in the parameter space. For independently optimized model pairs from different random initializations, achieving LMC is considered crucial for validating the stable success of the non-convex optimization in modern machine learning models and for facilitating practical parameter-based operations such as model merging. While LMC has been achieved for neural networks by considering the permutation invariance of neurons in each hidden layer, its attainment for other models remains an open question. In this paper, we first achieve LMC for soft tree ensembles, which are tree-based differentiable models extensively used in practice. We show the necessity of incorporating two invariances: subtree flip invariance and splitting order invariance, which do not exist in neural networks but are inherent to tree architectures, in addition to permutation invariance of trees. Moreover, we demonstrate that it is even possible to exclude such additional invariances while keeping LMC by designing decision list-based tree architectures, where such invariances do not exist by definition. Our findings indicate the significance of accounting for architecture-specific invariances in achieving LMC.
Authors: Qingyuan Li, Ran Meng, Yiduo Li, Bo Zhang, Yifan Lu, Yerui Sun, Lin Ma, Yuchen Xie
Abstract: We introduce Integer Scale, a novel post-training quantization scheme for large language models that effectively resolves the inference bottleneck in current fine-grained quantization approaches while maintaining similar accuracies. Integer Scale is a free lunch as it requires no extra calibration or fine-tuning which will otherwise incur additional costs. It can be used plug-and-play for most fine-grained quantization methods. Its integration results in at most 1.85x end-to-end speed boost over the original counterpart with comparable accuracy. Additionally, due to the orchestration of the proposed Integer Scale and fine-grained quantization, we resolved the quantization difficulty for Mixtral-8x7B and LLaMA-3 models with negligible performance degradation, and it comes with an end-to-end speed boost of 2.13x, and 2.31x compared with their FP16 versions respectively.
Authors: Ziqi Shi, Fan Lyu, Ye Liu, Fanhua Shang, Fuyuan Hu, Wei Feng, Zhang Zhang, Liang Wang
Abstract: Continual Test-Time Adaptation (CTTA) is an emerging and challenging task where a model trained in a source domain must adapt to continuously changing conditions during testing, without access to the original source data. CTTA is prone to error accumulation due to uncontrollable domain shifts, leading to blurred decision boundaries between categories. Existing CTTA methods primarily focus on suppressing domain shifts, which proves inadequate during the unsupervised test phase. In contrast, we introduce a novel approach that guides rather than suppresses these shifts. Specifically, we propose $\textbf{C}$ontrollable $\textbf{Co}$ntinual $\textbf{T}$est-$\textbf{T}$ime $\textbf{A}$daptation (C-CoTTA), which explicitly prevents any single category from encroaching on others, thereby mitigating the mutual influence between categories caused by uncontrollable shifts. Moreover, our method reduces the sensitivity of model to domain transformations, thereby minimizing the magnitude of category shifts. Extensive quantitative experiments demonstrate the effectiveness of our method, while qualitative analyses, such as t-SNE plots, confirm the theoretical validity of our approach.
Authors: Xuan-May Le, Ling Luo, Uwe Aickelin, Minh-Tuan Tran
Abstract: Multivariate time series classification (MTSC) has attracted significant research attention due to its diverse real-world applications. Recently, exploiting transformers for MTSC has achieved state-of-the-art performance. However, existing methods focus on generic features, providing a comprehensive understanding of data, but they ignore class-specific features crucial for learning the representative characteristics of each class. This leads to poor performance in the case of imbalanced datasets or datasets with similar overall patterns but differing in minor class-specific details. In this paper, we propose a novel Shapelet Transformer (ShapeFormer), which comprises class-specific and generic transformer modules to capture both of these features. In the class-specific module, we introduce the discovery method to extract the discriminative subsequences of each class (i.e. shapelets) from the training set. We then propose a Shapelet Filter to learn the difference features between these shapelets and the input time series. We found that the difference feature for each shapelet contains important class-specific features, as it shows a significant distinction between its class and others. In the generic module, convolution filters are used to extract generic features that contain information to distinguish among all classes. For each module, we employ the transformer encoder to capture the correlation between their features. As a result, the combination of two transformer modules allows our model to exploit the power of both types of features, thereby enhancing the classification performance. Our experiments on 30 UEA MTSC datasets demonstrate that ShapeFormer has achieved the highest accuracy ranking compared to state-of-the-art methods. The code is available at https://github.com/xuanmay2701/shapeformer.
Authors: Shiyu Wang, Haixu Wu, Xiaoming Shi, Tengge Hu, Huakun Luo, Lintao Ma, James Y. Zhang, Jun Zhou
Abstract: Time series forecasting is widely used in extensive applications, such as traffic planning and weather forecasting. However, real-world time series usually present intricate temporal variations, making forecasting extremely challenging. Going beyond the mainstream paradigms of plain decomposition and multiperiodicity analysis, we analyze temporal variations in a novel view of multiscale-mixing, which is based on an intuitive but important observation that time series present distinct patterns in different sampling scales. The microscopic and the macroscopic information are reflected in fine and coarse scales respectively, and thereby complex variations can be inherently disentangled. Based on this observation, we propose TimeMixer as a fully MLP-based architecture with Past-Decomposable-Mixing (PDM) and Future-Multipredictor-Mixing (FMM) blocks to take full advantage of disentangled multiscale series in both past extraction and future prediction phases. Concretely, PDM applies the decomposition to multiscale series and further mixes the decomposed seasonal and trend components in fine-to-coarse and coarse-to-fine directions separately, which successively aggregates the microscopic seasonal and macroscopic trend information. FMM further ensembles multiple predictors to utilize complementary forecasting capabilities in multiscale observations. Consequently, TimeMixer is able to achieve consistent state-of-the-art performances in both long-term and short-term forecasting tasks with favorable run-time efficiency.
Authors: Shu Wei, Yanjie Li, Lina Yu, Min Wu, Weijun Li, Meilan Hao, Wenqiang Li, Jingyi Liu, Yusong Deng
Abstract: Solving partial differential equations (PDEs) in Euclidean space with closed-form symbolic solutions has long been a dream for mathematicians. Inspired by deep learning, Physics-Informed Neural Networks (PINNs) have shown great promise in numerically solving PDEs. However, since PINNs essentially approximate solutions within the continuous function space, their numerical solutions fall short in both precision and interpretability compared to symbolic solutions. This paper proposes a novel framework: a closed-form \textbf{Sym}bolic framework for \textbf{PDE}s (SymPDE), exploring the use of deep reinforcement learning to directly obtain symbolic solutions for PDEs. SymPDE alleviates the challenges PINNs face in fitting high-frequency and steeply changing functions. To our knowledge, no prior work has implemented this approach. Experiments on solving the Poisson's equation and heat equation in time-independent and spatiotemporal dynamical systems respectively demonstrate that SymPDE can provide accurate closed-form symbolic solutions for various types of PDEs.
Authors: Yiyang Zhou, Zhiyuan Fan, Dongjie Cheng, Sihan Yang, Zhaorun Chen, Chenhang Cui, Xiyao Wang, Yun Li, Linjun Zhang, Huaxiu Yao
Abstract: Large Vision-Language Models (LVLMs) have made substantial progress by integrating pre-trained large language models (LLMs) and vision models through instruction tuning. Despite these advancements, LVLMs often exhibit the hallucination phenomenon, where generated text responses appear linguistically plausible but contradict the input image, indicating a misalignment between image and text pairs. This misalignment arises because the model tends to prioritize textual information over visual input, even when both the language model and visual representations are of high quality. Existing methods leverage additional models or human annotations to curate preference data and enhance modality alignment through preference optimization. These approaches may not effectively reflect the target LVLM's preferences, making the curated preferences easily distinguishable. Our work addresses these challenges by proposing the Calibrated Self-Rewarding (CSR) approach, which enables the model to self-improve by iteratively generating candidate responses, evaluating the reward for each response, and curating preference data for fine-tuning. In the reward modeling, we employ a step-wise strategy and incorporate visual constraints into the self-rewarding process to place greater emphasis on visual input. Empirical results demonstrate that CSR enhances performance and reduces hallucinations across ten benchmarks and tasks, achieving substantial improvements over existing methods by 7.62%. Our empirical results are further supported by rigorous theoretical analysis, under mild assumptions, verifying the effectiveness of introducing visual constraints into the self-rewarding paradigm. Additionally, CSR shows compatibility with different vision-language models and the ability to incrementally improve performance through iterative fine-tuning. Our data and code are available at https://github.com/YiyangZhou/CSR.
Authors: Indu Solomon, Aye Phyu Phyu Aung, Uttam Kumar, Senthilnath Jayavelu
Abstract: Continual learning (CL) models are designed to learn new tasks arriving sequentially without re-training the network. However, real-world ML applications have very limited label information and these models suffer from catastrophic forgetting. To address these issues, we propose an unsupervised CL model with task experts called Unsupervised Task Expert Lifelong Learning (U-TELL) to continually learn the data arriving in a sequence addressing catastrophic forgetting. During training of U-TELL, we introduce a new expert on arrival of a new task. Our proposed architecture has task experts, a structured data generator and a task assigner. Each task expert is composed of 3 blocks; i) a variational autoencoder to capture the task distribution and perform data abstraction, ii) a k-means clustering module, and iii) a structure extractor to preserve latent task data signature. During testing, task assigner selects a suitable expert to perform clustering. U-TELL does not store or replay task samples, instead, we use generated structured samples to train the task assigner. We compared U-TELL with five SOTA unsupervised CL methods. U-TELL outperformed all baselines on seven benchmarks and one industry dataset for various CL scenarios with a training time over 6 times faster than the best performing baseline.
Authors: Takuya Hiraoka, Guanquan Wang, Takashi Onishi, Yoshimasa Tsuruoka
Abstract: In reinforcement learning (RL) with experience replay, experiences stored in a replay buffer influence the RL agent's performance. Information about the influence of these experiences is valuable for various purposes, such as identifying experiences that negatively influence poorly performing RL agents. One method for estimating the influence of experiences is the leave-one-out (LOO) method. However, this method is usually computationally prohibitive. In this paper, we present Policy Iteration with Turn-over Dropout (PIToD), which efficiently estimates the influence of experiences. We evaluate how accurately PIToD estimates the influence of experiences and its efficiency compared to LOO. We then apply PIToD to amend poorly performing RL agents, i.e., we use PIToD to estimate negatively influential experiences for the RL agents and to delete the influence of these experiences. We show that RL agents' performance is significantly improved via amendments with PIToD.
Authors: Jingyi Chen, Ju-Seung Byun, Micha Elsner, Andrew Perrault
Abstract: Recent advancements in generative models have sparked significant interest within the machine learning community. Particularly, diffusion models have demonstrated remarkable capabilities in synthesizing images and speech. Studies such as those by Lee et al. [19], Black et al. [4], Wang et al. [36], and Fan et al. [8] illustrate that Reinforcement Learning with Human Feedback (RLHF) can enhance diffusion models for image synthesis. However, due to architectural differences between these models and those employed in speech synthesis, it remains uncertain whether RLHF could similarly benefit speech synthesis models. In this paper, we explore the practical application of RLHF to diffusion-based text-to-speech synthesis, leveraging the mean opinion score (MOS) as predicted by UTokyo-SaruLab MOS prediction system [29] as a proxy loss. We introduce diffusion model loss-guided RL policy optimization (DLPO) and compare it against other RLHF approaches, employing the NISQA speech quality and naturalness assessment model [21] and human preference experiments for further evaluation. Our results show that RLHF can enhance diffusion-based text-to-speech synthesis models, and, moreover, DLPO can better improve diffusion models in generating natural and high quality speech audios.
Authors: Veera Sundararaghavan, Megna N. Shah, Jeff P. Simmons
Abstract: There is a growing attention given to utilizing Lagrangian and Hamiltonian mechanics with network training in order to incorporate physics into the network. Most commonly, conservative systems are modeled, in which there are no frictional losses, so the system may be run forward and backward in time without requiring regularization. This work addresses systems in which the reverse direction is ill-posed because of the dissipation that occurs in forward evolution. The novelty is the use of Morse-Feshbach Lagrangian, which models dissipative dynamics by doubling the number of dimensions of the system in order to create a mirror latent representation that would counterbalance the dissipation of the observable system, making it a conservative system, albeit embedded in a larger space. We start with their formal approach by redefining a new Dissipative Lagrangian, such that the unknown matrices in the Euler-Lagrange's equations arise as partial derivatives of the Lagrangian with respect to only the observables. We then train a network from simulated training data for dissipative systems such as Fickian diffusion that arise in materials sciences. It is shown by experiments that the systems can be evolved in both forward and reverse directions without regularization beyond that provided by the Morse-Feshbach Lagrangian. Experiments of dissipative systems, such as Fickian diffusion, demonstrate the degree to which dynamics can be reversed.
Authors: Satoki Ishikawa, Makoto Yamada, Han Bao, Yuki Takezawa
Abstract: SimSiam is a prominent self-supervised learning method that achieves impressive results in various vision tasks under static environments. However, it has two critical issues: high sensitivity to hyperparameters, especially weight decay, and unsatisfactory performance in online and continual learning, where neuroscientists believe that powerful memory functions are necessary, as in brains. In this paper, we propose PhiNet, inspired by a hippocampal model based on the temporal prediction hypothesis. Unlike SimSiam, which aligns two augmented views of the original image, PhiNet integrates an additional predictor block that estimates the original image representation to imitate the CA1 region in the hippocampus. Moreover, we model the neocortex inspired by the Complementary Learning Systems theory with a momentum encoder block as a slow learner, which works as long-term memory. We demonstrate through analysing the learning dynamics that PhiNet benefits from the additional predictor to prevent the complete collapse of learned representations, a notorious challenge in non-contrastive learning. This dynamics analysis may partially corroborate why this hippocampal model is biologically plausible. Experimental results demonstrate that PhiNet is more robust to weight decay and performs better than SimSiam in memory-intensive tasks like online and continual learning.
Authors: Lior Shani, Aviv Rosenberg, Asaf Cassel, Oran Lang, Daniele Calandriello, Avital Zipori, Hila Noga, Orgad Keller, Bilal Piot, Idan Szpektor, Avinatan Hassidim, Yossi Matias, R\'emi Munos
Abstract: Reinforcement Learning from Human Feedback (RLHF) has become the standard approach for aligning Large Language Models (LLMs) with human preferences, allowing LLMs to demonstrate remarkable abilities in various tasks. Existing methods work by emulating the preferences at the single decision (turn) level, limiting their capabilities in settings that require planning or multi-turn interactions to achieve a long-term goal. In this paper, we address this issue by developing novel methods for Reinforcement Learning (RL) from preference feedback between two full multi-turn conversations. In the tabular setting, we present a novel mirror-descent-based policy optimization algorithm for the general multi-turn preference-based RL problem, and prove its convergence to Nash equilibrium. To evaluate performance, we create a new environment, Education Dialogue, where a teacher agent guides a student in learning a random topic, and show that a deep RL variant of our algorithm outperforms RLHF baselines. Finally, we show that in an environment with explicit rewards, our algorithm recovers the same performance as a reward-based RL baseline, despite relying solely on a weaker preference signal.
Authors: Marshal Arijona Sinaga, Julien Martinelli, Vikas Garg, Samuel Kaski
Abstract: Preferential Bayesian optimization (PBO) is a sample-efficient framework for learning human preferences between candidate designs. PBO classically relies on homoscedastic noise models to represent human aleatoric uncertainty. Yet, such noise fails to accurately capture the varying levels of human aleatoric uncertainty, particularly when the user possesses partial knowledge among different pairs of candidates. For instance, a chemist with solid expertise in glucose-related molecules may easily compare two compounds from that family while struggling to compare alcohol-related molecules. Currently, PBO overlooks this uncertainty during the search for a new candidate through the maximization of the acquisition function, consequently underestimating the risk associated with human uncertainty. To address this issue, we propose a heteroscedastic noise model to capture human aleatoric uncertainty. This model adaptively assigns noise levels based on the distance of a specific input to a predefined set of reliable inputs known as anchors provided by the human. Anchors encapsulate partial knowledge and offer insight into the comparative difficulty of evaluating different candidate pairs. Such a model can be seamlessly integrated into the acquisition function, thus leading to candidate design pairs that elegantly trade informativeness and ease of comparison for the human expert. We perform an extensive empirical evaluation of the proposed approach, demonstrating a consistent improvement over homoscedastic PBO.
Authors: Zhuowei Li, Zihao Xu, Ligong Han, Yunhe Gao, Song Wen, Di Liu, Hao Wang, Dimitris N. Metaxas
Abstract: In-context Learning (ICL) empowers large language models (LLMs) to adapt to unseen tasks during inference by prefixing a few demonstration examples prior to test queries. Despite its versatility, ICL incurs substantial computational and memory overheads compared to zero-shot learning and is susceptible to the selection and order of demonstration examples. In this work, we introduce Implicit In-context Learning (I2CL), an innovative paradigm that addresses the challenges associated with traditional ICL by absorbing demonstration examples within the activation space. I2CL first generates a condensed vector representation, namely a context vector, from the demonstration examples. It then integrates the context vector during inference by injecting a linear combination of the context vector and query activations into the model's residual streams. Empirical evaluation on nine real-world tasks across three model architectures demonstrates that I2CL achieves few-shot performance with zero-shot cost and exhibits robustness against the variation of demonstration examples. Furthermore, I2CL facilitates a novel representation of "task-ids", enhancing task similarity detection and enabling effective transfer learning. We provide a comprehensive analysis of I2CL, offering deeper insights into its mechanisms and broader implications for ICL. The source code is available at: https://github.com/LzVv123456/I2CL.
Authors: Oscar Davis, Samuel Kessler, Mircea Petrache, {\.I}smail {\.I}lkan Ceylan, Avishek Joey Bose
Abstract: Generative modeling over discrete data has recently seen numerous success stories, with applications spanning language modeling, biological sequence design, and graph-structured molecular data. The predominant generative modeling paradigm for discrete data is still autoregressive, with more recent alternatives based on diffusion or flow-matching falling short of their impressive performance in continuous data settings, such as image or video generation. In this work, we introduce Fisher-Flow, a novel flow-matching model for discrete data. Fisher-Flow takes a manifestly geometric perspective by considering categorical distributions over discrete data as points residing on a statistical manifold equipped with its natural Riemannian metric: the $\textit{Fisher-Rao metric}$. As a result, we demonstrate discrete data itself can be continuously reparameterised to points on the positive orthant of the $d$-hypersphere $\mathbb{S}^d_+$, which allows us to define flows that map any source distribution to target in a principled manner by transporting mass along (closed-form) geodesics of $\mathbb{S}^d_+$. Furthermore, the learned flows in Fisher-Flow can be further bootstrapped by leveraging Riemannian optimal transport leading to improved training dynamics. We prove that the gradient flow induced by Fisher-Flow is optimal in reducing the forward KL divergence. We evaluate Fisher-Flow on an array of synthetic and diverse real-world benchmarks, including designing DNA Promoter, and DNA Enhancer sequences. Empirically, we find that Fisher-Flow improves over prior diffusion and flow-matching models on these benchmarks.
Authors: Peng Sun, Yi Jiang, Tao Lin
Abstract: Data, the seminal opportunity and challenge in modern machine learning, currently constrains the scalability of representation learning and impedes the pace of model evolution. Existing paradigms tackle the issue of learning efficiency over massive datasets from the perspective of self-supervised learning and dataset distillation independently, while neglecting the untapped potential of accelerating representation learning from an intermediate standpoint. In this work, we delve into defining the ideal data properties from both optimization and generalization perspectives. We propose that model-generated representations, despite being trained on diverse tasks and architectures, converge to a shared linear space, facilitating effective linear transport between models. Furthermore, we demonstrate that these representations exhibit properties conducive to the formation of ideal data. The theoretical/empirical insights therein inspire us to propose a Representation Learning Accelerator (ReLA), which leverages a task- and architecture-agnostic, yet publicly available, free model to form a dynamic data subset and thus accelerate (self-)supervised learning. For instance, employing a CLIP ViT B/16 as a prior model for dynamic data generation, ReLA-aided BYOL can train a ResNet-50 from scratch with 50% of ImageNet-1K, yielding performance surpassing that of training on the full dataset. Additionally, employing a ResNet-18 pre-trained on CIFAR-10 can enhance ResNet-50 training on 10% of ImageNet-1K, resulting in a 7.7% increase in accuracy.
Authors: Rachid Guerraoui, Rafael Pinot, Geovani Rizk, John Stephan, Fran\c{c}ois Taiani
Abstract: Batch normalization has proven to be a very beneficial mechanism to accelerate the training and improve the accuracy of deep neural networks in centralized environments. Yet, the scheme faces significant challenges in federated learning, especially under high data heterogeneity. Essentially, the main challenges arise from external covariate shifts and inconsistent statistics across clients. We introduce in this paper Federated BatchNorm (FBN), a novel scheme that restores the benefits of batch normalization in federated learning. Essentially, FBN ensures that the batch normalization during training is consistent with what would be achieved in a centralized execution, hence preserving the distribution of the data, and providing running statistics that accurately approximate the global statistics. FBN thereby reduces the external covariate shift and matches the evaluation performance of the centralized setting. We also show that, with a slight increase in complexity, we can robustify FBN to mitigate erroneous statistics and potentially adversarial attacks.
Authors: Yi-Shan Wu, Yijie Zhang, Badr-Eddine Ch\'erief-Abdellatif, Yevgeny Seldin
Abstract: PAC-Bayesian analysis is a frequentist framework for incorporating prior knowledge into learning. It was inspired by Bayesian learning, which allows sequential data processing and naturally turns posteriors from one processing step into priors for the next. However, despite two and a half decades of research, the ability to update priors sequentially without losing confidence information along the way remained elusive for PAC-Bayes. While PAC-Bayes allows construction of data-informed priors, the final confidence intervals depend only on the number of points that were not used for the construction of the prior, whereas confidence information in the prior, which is related to the number of points used to construct the prior, is lost. This limits the possibility and benefit of sequential prior updates, because the final bounds depend only on the size of the final batch. We present a novel and, in retrospect, surprisingly simple and powerful PAC-Bayesian procedure that allows sequential prior updates with no information loss. The procedure is based on a novel decomposition of the expected loss of randomized classifiers. The decomposition rewrites the loss of the posterior as an excess loss relative to a downscaled loss of the prior plus the downscaled loss of the prior, which is bounded recursively. As a side result, we also present a generalization of the split-kl and PAC-Bayes-split-kl inequalities to discrete random variables, which we use for bounding the excess losses, and which can be of independent interest. In empirical evaluation the new procedure significantly outperforms state-of-the-art.
Authors: Dimitrios Bachtis, Giulio Biroli, Aur\'elien Decelle, Beatriz Seoane
Abstract: In this paper, we investigate the feature encoding process in a prototypical energy-based generative model, the Restricted Boltzmann Machine (RBM). We start with an analytical investigation using simplified architectures and data structures, and end with numerical analysis of real trainings on real datasets. Our study tracks the evolution of the model's weight matrix through its singular value decomposition, revealing a series of phase transitions associated to a progressive learning of the principal modes of the empirical probability distribution. The model first learns the center of mass of the modes and then progressively resolve all modes through a cascade of phase transitions. We first describe this process analytically in a controlled setup that allows us to study analytically the training dynamics. We then validate our theoretical results by training the Bernoulli-Bernoulli RBM on real data sets. By using data sets of increasing dimension, we show that learning indeed leads to sharp phase transitions in the high-dimensional limit. Moreover, we propose and test a mean-field finite-size scaling hypothesis. This shows that the first phase transition is in the same universality class of the one we studied analytically, and which is reminiscent of the mean-field paramagnetic-to-ferromagnetic phase transition.
Authors: Raghul Parthipan, Mohit Anand, Hannah M. Christensen, J. Scott Hosking, Damon J. Wischik
Abstract: Machine learning (ML) has recently shown significant promise in modelling atmospheric systems, such as the weather. Many of these ML models are autoregressive, and error accumulation in their forecasts is a key problem. However, there is no clear definition of what `error accumulation' actually entails. In this paper, we propose a definition and an associated metric to measure it. Our definition distinguishes between errors which are due to model deficiencies, which we may hope to fix, and those due to the intrinsic properties of atmospheric systems (chaos, unobserved variables), which are not fixable. We illustrate the usefulness of this definition by proposing a simple regularization loss penalty inspired by it. This approach shows performance improvements (according to RMSE and spread/skill) in a selection of atmospheric systems, including the real-world weather prediction task.
Authors: Karima Makhlouf, Tamara Stefanovic, Heber H. Arcolezi, Catuscia Palamidessi
Abstract: Machine learning (ML) algorithms rely primarily on the availability of training data, and, depending on the domain, these data may include sensitive information about the data providers, thus leading to significant privacy issues. Differential privacy (DP) is the predominant solution for privacy-preserving ML, and the local model of DP is the preferred choice when the server or the data collector are not trusted. Recent experimental studies have shown that local DP can impact ML prediction for different subgroups of individuals, thus affecting fair decision-making. However, the results are conflicting in the sense that some studies show a positive impact of privacy on fairness while others show a negative one. In this work, we conduct a systematic and formal study of the effect of local DP on fairness. Specifically, we perform a quantitative study of how the fairness of the decisions made by the ML model changes under local DP for different levels of privacy and data distributions. In particular, we provide bounds in terms of the joint distributions and the privacy level, delimiting the extent to which local DP can impact the fairness of the model. We characterize the cases in which privacy reduces discrimination and those with the opposite effect. We validate our theoretical findings on synthetic and real-world datasets. Our results are preliminary in the sense that, for now, we study only the case of one sensitive attribute, and only statistical disparity, conditional statistical disparity, and equal opportunity difference.
Authors: Zhuo Xu, Lu Bai, Lixin Cui, Ming Li, Yue Wang, Edwin R. Hancock
Abstract: Graph Auto-Encoders (GAEs) are powerful tools for graph representation learning. In this paper, we develop a novel Hierarchical Cluster-based GAE (HC-GAE), that can learn effective structural characteristics for graph data analysis. To this end, during the encoding process, we commence by utilizing the hard node assignment to decompose a sample graph into a family of separated subgraphs. We compress each subgraph into a coarsened node, transforming the original graph into a coarsened graph. On the other hand, during the decoding process, we adopt the soft node assignment to reconstruct the original graph structure by expanding the coarsened nodes. By hierarchically performing the above compressing procedure during the decoding process as well as the expanding procedure during the decoding process, the proposed HC-GAE can effectively extract bidirectionally hierarchical structural features of the original sample graph. Furthermore, we re-design the loss function that can integrate the information from either the encoder or the decoder. Since the associated graph convolution operation of the proposed HC-GAE is restricted in each individual separated subgraph and cannot propagate the node information between different subgraphs, the proposed HC-GAE can significantly reduce the over-smoothing problem arising in the classical convolution-based GAEs. The proposed HC-GAE can generate effective representations for either node classification or graph classification, and the experiments demonstrate the effectiveness on real-world datasets.
Authors: Kaihua Ding, Jingsong Cui, Mohammad Soltani, Jing Jin
Abstract: The field of causal Machine Learning (ML) has made significant strides in recent years. Notable breakthroughs include methods such as meta learners (arXiv:1706.03461v6) and heterogeneous doubly robust estimators (arXiv:2004.14497) introduced in the last five years. Despite these advancements, the field still faces challenges, particularly in managing tightly coupled systems where both the causal treatment variable and a confounding covariate must serve as key decision-making indicators. This scenario is common in applications of causal ML for marketing, such as marketing segmentation and incremental marketing uplift. In this work, we present our formally proven algorithm, iterative causal segmentation, to address this issue.
Authors: Doheon Han, Nuno Moniz, Nitesh V Chawla
Abstract: Many evaluation metrics can be used to assess the performance of models in binary classification tasks. However, most of them are derived from a confusion matrix in a non-differentiable form, making it very difficult to generate a differentiable loss function that could directly optimize them. The lack of solutions to bridge this challenge not only hinders our ability to solve difficult tasks, such as imbalanced learning, but also requires the deployment of computationally expensive hyperparameter search processes in model selection. In this paper, we propose a general-purpose approach that transforms any confusion matrix-based metric into a loss function, \textit{AnyLoss}, that is available in optimization processes. To this end, we use an approximation function to make a confusion matrix represented in a differentiable form, and this approach enables any confusion matrix-based metric to be directly used as a loss function. The mechanism of the approximation function is provided to ensure its operability and the differentiability of our loss functions is proved by suggesting their derivatives. We conduct extensive experiments under diverse neural networks with many datasets, and we demonstrate their general availability to target any confusion matrix-based metrics. Our method, especially, shows outstanding achievements in dealing with imbalanced datasets, and its competitive learning speed, compared to multiple baseline models, underscores its efficiency.
Authors: Georgios Chatzigeorgakidis, Konstantinos Lentzos, Dimitrios Skoutas
Abstract: Predicting future values in multivariate time series is vital across various domains. This work explores the use of large language models (LLMs) for this task. However, LLMs typically handle one-dimensional data. We introduce MultiCast, a zero-shot LLM-based approach for multivariate time series forecasting. It allows LLMs to receive multivariate time series as input, through three novel token multiplexing solutions that effectively reduce dimensionality while preserving key repetitive patterns. Additionally, a quantization scheme helps LLMs to better learn these patterns, while significantly reducing token use for practical applications. We showcase the performance of our approach in terms of RMSE and execution time against state-of-the-art approaches on three real-world datasets.
Authors: Minheng Xiao, Xian Yu, Lei Ying
Abstract: Risk-sensitive reinforcement learning (RL) is crucial for maintaining reliable performance in many high-stakes applications. While most RL methods aim to learn a point estimate of the random cumulative cost, distributional RL (DRL) seeks to estimate the entire distribution of it. The distribution provides all necessary information about the cost and leads to a unified framework for handling various risk measures in a risk-sensitive setting. However, developing policy gradient methods for risk-sensitive DRL is inherently more complex as it pertains to finding the gradient of a probability measure. This paper introduces a policy gradient method for risk-sensitive DRL with general coherent risk measures, where we provide an analytical form of the probability measure's gradient. We further prove the local convergence of the proposed algorithm under mild smoothness assumptions. For practical use, we also design a categorical distributional policy gradient algorithm (CDPG) based on categorical distributional policy evaluation and trajectory-based gradient estimation. Through experiments on a stochastic cliff-walking environment, we illustrate the benefits of considering a risk-sensitive setting in DRL.
Authors: Peiyuan Feng, Yichen He, Guanhua Huang, Yuan Lin, Hanchong Zhang, Yuchen Zhang, Hang Li
Abstract: We introduce a novel framework of LLM agents named AGILE (AGent that Interacts and Learns from Environments) designed to perform complex conversational tasks with users, leveraging LLMs, memory, tools, and interactions with experts. The agent's abilities include not only conversation but also reflection, utilization of tools, and consultation with experts. We formulate the construction of such an LLM agent as a reinforcement learning problem, in which the LLM serves as the policy model. We fine-tune the LLM using labeled data of actions and the PPO algorithm. We focus on question answering and release a dataset for agents called ProductQA, comprising challenging questions in online shopping. Our extensive experiments on ProductQA and MedMCQA show that AGILE agents based on 13B and 7B LLMs trained with PPO can outperform GPT-4 agents. Our ablation study highlights the indispensability of memory, tools, consultation, reflection, and reinforcement learning in achieving the agent's strong performance.
Authors: Sarah Alnegheimish, Linh Nguyen, Laure Berti-Equille, Kalyan Veeramachaneni
Abstract: Recent studies have shown the ability of large language models to perform a variety of tasks, including time series forecasting. The flexible nature of these models allows them to be used for many applications. In this paper, we present a novel study of large language models used for the challenging task of time series anomaly detection. This problem entails two aspects novel for LLMs: the need for the model to identify part of the input sequence (or multiple parts) as anomalous; and the need for it to work with time series data rather than the traditional text input. We introduce sigllm, a framework for time series anomaly detection using large language models. Our framework includes a time-series-to-text conversion module, as well as end-to-end pipelines that prompt language models to perform time series anomaly detection. We investigate two paradigms for testing the abilities of large language models to perform the detection task. First, we present a prompt-based detection method that directly asks a language model to indicate which elements of the input are anomalies. Second, we leverage the forecasting capability of a large language model to guide the anomaly detection process. We evaluated our framework on 11 datasets spanning various sources and 10 pipelines. We show that the forecasting method significantly outperformed the prompting method in all 11 datasets with respect to the F1 score. Moreover, while large language models are capable of finding anomalies, state-of-the-art deep learning models are still superior in performance, achieving results 30% better than large language models.
Authors: Tehila Dahan, Kfir Y. Levy
Abstract: In this paper, we investigate the challenging framework of Byzantine-robust training in distributed machine learning (ML) systems, focusing on enhancing both efficiency and practicality. As distributed ML systems become integral for complex ML tasks, ensuring resilience against Byzantine failures-where workers may contribute incorrect updates due to malice or error-gains paramount importance. Our first contribution is the introduction of the Centered Trimmed Meta Aggregator (CTMA), an efficient meta-aggregator that upgrades baseline aggregators to optimal performance levels, while requiring low computational demands. Additionally, we propose harnessing a recently developed gradient estimation technique based on a double-momentum strategy within the Byzantine context. Our paper highlights its theoretical and practical advantages for Byzantine-robust training, especially in simplifying the tuning process and reducing the reliance on numerous hyperparameters. The effectiveness of this technique is supported by theoretical insights within the stochastic convex optimization (SCO) framework.
Authors: Nicholas Gao, Stephan G\"unnemann
Abstract: Neural wave functions accomplished unprecedented accuracies in approximating the ground state of many-electron systems, though at a high computational cost. Recent works proposed amortizing the cost by learning generalized wave functions across different structures and compounds instead of solving each problem independently. Enforcing the permutation antisymmetry of electrons in such generalized neural wave functions remained challenging as existing methods require discrete orbital selection via non-learnable hand-crafted algorithms. This work tackles the problem by defining overparametrized, fully learnable neural wave functions suitable for generalization across molecules. We achieve this by relying on Pfaffians rather than Slater determinants. The Pfaffian allows us to enforce the antisymmetry on arbitrary electronic systems without any constraint on electronic spin configurations or molecular structure. Our empirical evaluation finds that a single neural Pfaffian calculates the ground state and ionization energies with chemical accuracy across various systems. On the TinyMol dataset, we outperform the `gold-standard' CCSD(T) CBS reference energies by 1.9m$E_h$ and reduce energy errors compared to previous generalized neural wave functions by up to an order of magnitude.
Authors: Andi Peng, Yuying Sun, Tianmin Shu, David Abel
Abstract: Humans use social context to specify preferences over behaviors, i.e. their reward functions. Yet, algorithms for inferring reward models from preference data do not take this social learning view into account. Inspired by pragmatic human communication, we study how to extract fine-grained data regarding why an example is preferred that is useful for learning more accurate reward models. We propose to enrich binary preference queries to ask both (1) which features of a given example are preferable in addition to (2) comparisons between examples themselves. We derive an approach for learning from these feature-level preferences, both for cases where users specify which features are reward-relevant, and when users do not. We evaluate our approach on linear bandit settings in both vision- and language-based domains. Results support the efficiency of our approach in quickly converging to accurate rewards with fewer comparisons vs. example-only labels. Finally, we validate the real-world applicability with a behavioral experiment on a mushroom foraging task. Our findings suggest that incorporating pragmatic feature preferences is a promising approach for more efficient user-aligned reward learning.
Authors: Kacper Kapusniak, Peter Potaptchik, Teodora Reu, Leo Zhang, Alexander Tong, Michael Bronstein, Avishek Joey Bose, Francesco Di Giovanni
Abstract: Matching objectives underpin the success of modern generative models and rely on constructing conditional paths that transform a source distribution into a target distribution. Despite being a fundamental building block, conditional paths have been designed principally under the assumption of Euclidean geometry, resulting in straight interpolations. However, this can be particularly restrictive for tasks such as trajectory inference, where straight paths might lie outside the data manifold, thus failing to capture the underlying dynamics giving rise to the observed marginals. In this paper, we propose Metric Flow Matching (MFM), a novel simulation-free framework for conditional flow matching where interpolants are approximate geodesics learned by minimizing the kinetic energy of a data-induced Riemannian metric. This way, the generative model matches vector fields on the data manifold, which corresponds to lower uncertainty and more meaningful interpolations. We prescribe general metrics to instantiate MFM, independent of the task, and test it on a suite of challenging problems including LiDAR navigation, unpaired image translation, and modeling cellular dynamics. We observe that MFM outperforms the Euclidean baselines, particularly achieving SOTA on single-cell trajectory prediction.
Authors: Jinxin Liu, Xinghong Guo, Zifeng Zhuang, Donglin Wang
Abstract: In this paper, we propose a novel approach called DIffusion-guided DIversity (DIDI) for offline behavioral generation. The goal of DIDI is to learn a diverse set of skills from a mixture of label-free offline data. We achieve this by leveraging diffusion probabilistic models as priors to guide the learning process and regularize the policy. By optimizing a joint objective that incorporates diversity and diffusion-guided regularization, we encourage the emergence of diverse behaviors while maintaining the similarity to the offline data. Experimental results in four decision-making domains (Push, Kitchen, Humanoid, and D4RL tasks) show that DIDI is effective in discovering diverse and discriminative skills. We also introduce skill stitching and skill interpolation, which highlight the generalist nature of the learned skill space. Further, by incorporating an extrinsic reward function, DIDI enables reward-guided behavior generation, facilitating the learning of diverse and optimal behaviors from sub-optimal data.
Authors: Royson Lee, Javier Fernandez-Marques, Shell Xu Hu, Da Li, Stefanos Laskaridis, {\L}ukasz Dudziak, Timothy Hospedales, Ferenc Husz\'ar, Nicholas D. Lane
Abstract: Federated learning (FL) has enabled distributed learning of a model across multiple clients in a privacy-preserving manner. One of the main challenges of FL is to accommodate clients with varying hardware capacities; clients have differing compute and memory requirements. To tackle this challenge, recent state-of-the-art approaches leverage the use of early exits. Nonetheless, these approaches fall short of mitigating the challenges of joint learning multiple exit classifiers, often relying on hand-picked heuristic solutions for knowledge distillation among classifiers and/or utilizing additional layers for weaker classifiers. In this work, instead of utilizing multiple classifiers, we propose a recurrent early exit approach named ReeFL that fuses features from different sub-models into a single shared classifier. Specifically, we use a transformer-based early-exit module shared among sub-models to i) better exploit multi-layer feature representations for task-specific prediction and ii) modulate the feature representation of the backbone model for subsequent predictions. We additionally present a per-client self-distillation approach where the best sub-model is automatically selected as the teacher of the other sub-models at each client. Our experiments on standard image and speech classification benchmarks across various emerging federated fine-tuning baselines demonstrate ReeFL's effectiveness over previous works.
Authors: Tim Large, Yang Liu, Minyoung Huh, Hyojin Bahng, Phillip Isola, Jeremy Bernstein
Abstract: To improve performance in contemporary deep learning, one is interested in scaling up the neural network in terms of both the number and the size of the layers. When ramping up the width of a single layer, graceful scaling of training has been linked to the need to normalize the weights and their updates in the "natural norm" particular to that layer. In this paper, we significantly generalize this idea by defining the modular norm, which is the natural norm on the full weight space of any neural network architecture. The modular norm is defined recursively in tandem with the network architecture itself. We show that the modular norm has several promising applications. On the practical side, the modular norm can be used to normalize the updates of any base optimizer so that the learning rate becomes transferable across width and depth. This means that the user does not need to compute optimizer-specific scale factors in order to scale training. On the theoretical side, we show that for any neural network built from "well-behaved" atomic modules, the gradient of the network is Lipschitz-continuous in the modular norm, with the Lipschitz constant admitting a simple recursive formula. This characterization opens the door to porting standard ideas in optimization theory over to deep learning. We have created a Python package called Modula that automatically normalizes weight updates in the modular norm of the architecture. The package is available via "pip install modula" with source code at https://github.com/jxbz/modula.
Authors: Jose Arjona-Medina, Ramil Nugmanov
Abstract: Despite the rapid and significant advancements in deep learning for Quantitative Structure-Activity Relationship (QSAR) models, the challenge of learning robust molecular representations that effectively generalize in real-world scenarios to novel compounds remains an elusive and unresolved task. This study examines how atom-level pretraining with quantum mechanics (QM) data can mitigate violations of assumptions regarding the distributional similarity between training and test data and therefore improve performance and generalization in downstream tasks. In the public dataset Therapeutics Data Commons (TDC), we show how pretraining on atom-level QM improves performance overall and makes the activation of the features distributes more Gaussian-like which results in a representation that is more robust to distribution shifts. To the best of our knowledge, this is the first time that hidden state molecular representations are analyzed to compare the effects of molecule-level and atom-level pretraining on QM data.
Authors: Vladimir Malinovskii, Denis Mazur, Ivan Ilin, Denis Kuznedelev, Konstantin Burlachenko, Kai Yi, Dan Alistarh, Peter Richtarik
Abstract: There has been significant interest in "extreme" compression of large language models (LLMs), i.e., to 1-2 bits per parameter, which allows such models to be executed efficiently on resource-constrained devices. Existing work focused on improved one-shot quantization techniques and weight representations; yet, purely post-training approaches are reaching diminishing returns in terms of the accuracy-vs-bit-width trade-off. State-of-the-art quantization methods such as QuIP# and AQLM include fine-tuning (part of) the compressed parameters over a limited amount of calibration data; however, such fine-tuning techniques over compressed weights often make exclusive use of straight-through estimators (STE), whose performance is not well-understood in this setting. In this work, we question the use of STE for extreme LLM compression, showing that it can be sub-optimal, and perform a systematic study of quantization-aware fine-tuning strategies for LLMs. We propose PV-Tuning - a representation-agnostic framework that generalizes and improves upon existing fine-tuning strategies, and provides convergence guarantees in restricted cases. On the practical side, when used for 1-2 bit vector quantization, PV-Tuning outperforms prior techniques for highly-performant models such as Llama and Mistral. Using PV-Tuning, we achieve the first Pareto-optimal quantization for Llama 2 family models at 2 bits per parameter.
Authors: Edward S. Hu, James Springer, Oleh Rybkin, Dinesh Jayaraman
Abstract: We need to look at our shoelaces as we first learn to tie them but having mastered this skill, can do it from touch alone. We call this phenomenon "sensory scaffolding": observation streams that are not needed by a master might yet aid a novice learner. We consider such sensory scaffolding setups for training artificial agents. For example, a robot arm may need to be deployed with just a low-cost, robust, general-purpose camera; yet its performance may improve by having privileged training-time-only access to informative albeit expensive and unwieldy motion capture rigs or fragile tactile sensors. For these settings, we propose "Scaffolder", a reinforcement learning approach which effectively exploits privileged sensing in critics, world models, reward estimators, and other such auxiliary components that are only used at training time, to improve the target policy. For evaluating sensory scaffolding agents, we design a new "S3" suite of ten diverse simulated robotic tasks that explore a wide range of practical sensor setups. Agents must use privileged camera sensing to train blind hurdlers, privileged active visual perception to help robot arms overcome visual occlusions, privileged touch sensors to train robot hands, and more. Scaffolder easily outperforms relevant prior baselines and frequently performs comparably even to policies that have test-time access to the privileged sensors. Website: https://penn-pal-lab.github.io/scaffolder/
Authors: Joshua Engels, Isaac Liao, Eric J. Michaud, Wes Gurnee, Max Tegmark
Abstract: Recent work has proposed the linear representation hypothesis: that language models perform computation by manipulating one-dimensional representations of concepts ("features") in activation space. In contrast, we explore whether some language model representations may be inherently multi-dimensional. We begin by developing a rigorous definition of irreducible multi-dimensional features based on whether they can be decomposed into either independent or non-co-occurring lower-dimensional features. Motivated by these definitions, we design a scalable method that uses sparse autoencoders to automatically find multi-dimensional features in GPT-2 and Mistral 7B. These auto-discovered features include strikingly interpretable examples, e.g. circular features representing days of the week and months of the year. We identify tasks where these exact circles are used to solve computational problems involving modular arithmetic in days of the week and months of the year. Finally, we provide evidence that these circular features are indeed the fundamental unit of computation in these tasks with intervention experiments on Mistral 7B and Llama 3 8B, and we find further circular representations by breaking down the hidden states for these tasks into interpretable components.
Authors: Gen Li, Yuling Yan
Abstract: This paper investigates score-based diffusion models when the underlying target distribution is concentrated on or near low-dimensional manifolds within the higher-dimensional space in which they formally reside, a common characteristic of natural image distributions. Despite previous efforts to understand the data generation process of diffusion models, existing theoretical support remains highly suboptimal in the presence of low-dimensional structure, which we strengthen in this paper. For the popular Denoising Diffusion Probabilistic Model (DDPM), we find that the dependency of the error incurred within each denoising step on the ambient dimension $d$ is in general unavoidable. We further identify a unique design of coefficients that yields a converges rate at the order of $O(k^{2}/\sqrt{T})$ (up to log factors), where $k$ is the intrinsic dimension of the target distribution and $T$ is the number of steps. This represents the first theoretical demonstration that the DDPM sampler can adapt to unknown low-dimensional structures in the target distribution, highlighting the critical importance of coefficient design. All of this is achieved by a novel set of analysis tools that characterize the algorithmic dynamics in a more deterministic manner.
Authors: Yuki Yada, Hayato Yamana
Abstract: Personalized news recommendations are essential for online news platforms to assist users in discovering news articles that match their interests from a vast amount of online content. Appropriately encoded content features, such as text, categories, and images, are essential for recommendations. Among these features, news categories, such as tv-golden-globe, finance-real-estate, and news-politics, play an important role in understanding news content, inspiring us to enhance the categories' descriptions. In this paper, we propose a novel method that automatically generates informative category descriptions using a large language model (LLM) without manual effort or domain-specific knowledge and incorporates them into recommendation models as additional information. In our comprehensive experimental evaluations using the MIND dataset, our method successfully achieved 5.8% improvement at most in AUC compared with baseline approaches without the LLM's generated category descriptions for the state-of-the-art content-based recommendation models including NAML, NRMS, and NPA. These results validate the effectiveness of our approach. The code is available at https://github.com/yamanalab/gpt-augmented-news-recommendation.
URLs: https://github.com/yamanalab/gpt-augmented-news-recommendation.
Authors: Asahi Ushio, Jose Camacho-Collados
Abstract: In machine learning, temporal shifts occur when there are differences between training and test splits in terms of time. For streaming data such as news or social media, models are commonly trained on a fixed corpus from a certain period of time, and they can become obsolete due to the dynamism and evolving nature of online content. This paper focuses on temporal shifts in social media and, in particular, Twitter. We propose a unified evaluation scheme to assess the performance of language models (LMs) under temporal shift on standard social media tasks. LMs are tested on five diverse social media NLP tasks under different temporal settings, which revealed two important findings: (i) the decrease in performance under temporal shift is consistent across different models for entity-focused tasks such as named entity recognition or disambiguation, and hate speech detection, but not significant in the other tasks analysed (i.e., topic and sentiment classification); and (ii) continuous pre-training on the test period does not improve the temporal adaptability of LMs.
Authors: Alexandre Pich\'e, Aristides Milios, Dzmitry Bahdanau, Chris Pal
Abstract: In order to be deployed safely, Large Language Models (LLMs) must be capable of dynamically adapting their behavior based on their level of knowledge and uncertainty associated with specific topics. This adaptive behavior, which we refer to as self-restraint, is non-trivial to teach since it depends on the internal knowledge of an LLM. By default, LLMs are trained to maximize the next token likelihood, which does not teach the model to modulate its answer based on its level of uncertainty. In order to learn self-restraint, we devise a utility function that can encourage the model to produce responses only when it is confident in them. This utility function can be used to score generation of different length and abstention. To optimize this function, we introduce ReSearch, a process of ``self-reflection'' consisting of iterative self-prompting and self-evaluation. We use the ReSearch algorithm to generate synthetic data on which we finetune our models. Compared to their original versions, our resulting models generate fewer \emph{hallucinations} overall at no additional inference cost, for both known and unknown topics, as the model learns to selectively restrain itself. In addition, our method elegantly incorporates the ability to abstain by augmenting the samples generated by the model during the search procedure with an answer expressing abstention.
Authors: Jeremie Pantin, Christophe Marsala
Abstract: In this work, a robust autoencoder ensemble-based approach designed to address anomaly detection in text corpora is introduced. Each autoencoder within the ensemble incorporates a local robust subspace recovery projection of the original data in its encoding embedding, leveraging the geometric properties of the k-nearest neighbors to optimize subspace recovery and identify anomalous patterns in textual data. The evaluation of such an approach needs an experimental setting dedicated to the context of textual anomaly detection. Thus, beforehand, a comprehensive real-world taxonomy is introduced to distinguish between independent anomalies and contextual anomalies. Such a study to identify clearly the kinds of anomalies appearing in a textual context aims at addressing a critical gap in the existing literature. Then, extensive experiments on classical text corpora have been conducted and their results are presented that highlights the efficiency, both in robustness and in performance, of the robust autoencoder ensemble-based approach when detecting both independent and contextual anomalies. Diverse range of tasks, including classification, sentiment analysis, and spam detection, across eight different corpora, have been studied in these experiments.
Authors: Yikyung Kim, Jay-Yoon Lee
Abstract: Measuring a machine's understanding of human language often involves assessing its reasoning skills, i.e. logical process of deriving answers to questions. While recent language models have shown remarkable proficiency in text based tasks, their efficacy in complex reasoning problems involving heterogeneous information such as text, tables, and numbers remain uncertain. Addressing this gap, FinQA introduced a numerical reasoning dataset for financial documents and simultaneously proposed a program generation approach . Our investigation reveals that half of the errors (48%) stem from incorrect operations being generated. To address this issue, we propose a novel approach to tackle numerical reasoning problems using case based reasoning (CBR), an artificial intelligence paradigm that provides problem solving guidance by offering similar cases (i.e. similar questions and corresponding logical programs). Our model retrieves relevant cases to address a given question, and then generates an answer based on the retrieved cases and contextual information. Through experiments on the FinQA dataset, we demonstrate competitive performance of our approach and additionally show that by expanding case repository, we can help solving complex multi step programs which FinQA showed weakness of.
Authors: Victor Agostinelli, Sanghyun Hong, Lizhong Chen
Abstract: A promising approach to preserving model performance in linearized transformers is to employ position-based re-weighting functions. However, state-of-the-art re-weighting functions rely heavily on target sequence lengths, making it difficult or impossible to apply them to autoregressive and simultaneous tasks, where the target and sometimes even the input sequence length are unknown. To address this issue, we propose Learned Proportions (LeaP) and LeaPformers. Our contribution is built on two major components. First, we generalize the dependence on explicit positional representations and sequence lengths into dependence on sequence proportions for re-weighting. Second, we replace static positional representations with dynamic proportions derived via a compact module, enabling more flexible attention concentration patterns. We evaluate LeaPformer against eight representative efficient transformers on the Long-Range Arena benchmark, showing that LeaPformer achieves the best quality-throughput trade-off, as well as LeaPformer to Wikitext-103 autoregressive language modeling and simultaneous speech-to-text translation for two language pairs, achieving competitive results.
Authors: Heinrich Peters, Moran Cerf, Sandra C. Matz
Abstract: This study investigates the capacity of Large Language Models (LLMs) to infer the Big Five personality traits from free-form user interactions. The results demonstrate that a chatbot powered by GPT-4 can infer personality with moderate accuracy, outperforming previous approaches drawing inferences from static text content. The accuracy of inferences varied across different conversational settings. Performance was highest when the chatbot was prompted to elicit personality-relevant information from users (mean r=.443, range=[.245, .640]), followed by a condition placing greater emphasis on naturalistic interaction (mean r=.218, range=[.066, .373]). Notably, the direct focus on personality assessment did not result in a less positive user experience, with participants reporting the interactions to be equally natural, pleasant, engaging, and humanlike across both conditions. A chatbot mimicking ChatGPT's default behavior of acting as a helpful assistant led to markedly inferior personality inferences and lower user experience ratings but still captured psychologically meaningful information for some of the personality traits (mean r=.117, range=[-.004, .209]). Preliminary analyses suggest that the accuracy of personality inferences varies only marginally across different socio-demographic subgroups. Our results highlight the potential of LLMs for psychological profiling based on conversational interactions. We discuss practical implications and ethical challenges associated with these findings.
Authors: Cailean Osborne, Jennifer Ding, Hannah Rose Kirk
Abstract: Open source developers have emerged as key actors in the political economy of artificial intelligence (AI), with open model development being recognised as an alternative to closed-source AI development. However, we still have a limited understanding of collaborative practices in open source AI. This paper responds to this gap with a three-part quantitative analysis of development activity on the Hugging Face (HF) Hub, a popular platform for building, sharing, and demonstrating models. First, we find that various types of activity across 348,181 model, 65,761 dataset, and 156,642 space repositories exhibit right-skewed distributions. Activity is extremely imbalanced between repositories; for example, over 70% of models have 0 downloads, while 1% account for 99% of downloads. Second, we analyse a snapshot of the social network structure of collaboration on models, finding that the community has a core-periphery structure, with a core of prolific developers and a majority of isolate developers (89%). Upon removing isolates, collaboration is characterised by high reciprocity regardless of developers' network positions. Third, we examine model adoption through the lens of model usage in spaces, finding that a minority of models, developed by a handful of companies, are widely used on the HF Hub. Overall, we find that various types of activity on the HF Hub are characterised by Pareto distributions, congruent with prior observations about OSS development patterns on platforms like GitHub. We conclude with a discussion of the implications of the findings and recommendations for (open source) AI researchers, developers, and policymakers.
Authors: Pavlos S. Bouzinis, Panagiotis Radoglou-Grammatikis, Ioannis Makris, Thomas Lagkas, Vasileios Argyriou, Georgios Th. Papadopoulos, Panagiotis Sarigiannidis, George K. Karagiannidis
Abstract: Federated learning (FL) is a decentralized learning technique that enables participating devices to collaboratively build a shared Machine Leaning (ML) or Deep Learning (DL) model without revealing their raw data to a third party. Due to its privacy-preserving nature, FL has sparked widespread attention for building Intrusion Detection Systems (IDS) within the realm of cybersecurity. However, the data heterogeneity across participating domains and entities presents significant challenges for the reliable implementation of an FL-based IDS. In this paper, we propose an effective method called Statistical Averaging (StatAvg) to alleviate non-independently and identically (non-iid) distributed features across local clients' data in FL. In particular, StatAvg allows the FL clients to share their individual data statistics with the server, which then aggregates this information to produce global statistics. The latter are shared with the clients and used for universal data normalisation. It is worth mentioning that StatAvg can seamlessly integrate with any FL aggregation strategy, as it occurs before the actual FL training process. The proposed method is evaluated against baseline approaches using datasets for network and host Artificial Intelligence (AI)-powered IDS. The experimental results demonstrate the efficiency of StatAvg in mitigating non-iid feature distributions across the FL clients compared to the baseline methods.
Authors: Yuxi Li, Yi Liu, Yuekang Li, Ling Shi, Gelei Deng, Shengquan Chen, Kailong Wang
Abstract: Large language models (LLMs) have transformed the field of natural language processing, but they remain susceptible to jailbreaking attacks that exploit their capabilities to generate unintended and potentially harmful content. Existing token-level jailbreaking techniques, while effective, face scalability and efficiency challenges, especially as models undergo frequent updates and incorporate advanced defensive measures. In this paper, we introduce JailMine, an innovative token-level manipulation approach that addresses these limitations effectively. JailMine employs an automated "mining" process to elicit malicious responses from LLMs by strategically selecting affirmative outputs and iteratively reducing the likelihood of rejection. Through rigorous testing across multiple well-known LLMs and datasets, we demonstrate JailMine's effectiveness and efficiency, achieving a significant average reduction of 86% in time consumed while maintaining high success rates averaging 95%, even in the face of evolving defensive strategies. Our work contributes to the ongoing effort to assess and mitigate the vulnerability of LLMs to jailbreaking attacks, underscoring the importance of continued vigilance and proactive measures to enhance the security and reliability of these powerful language models.
Authors: Edward Hall\'e-Hannan, Charles Audet, Youssef Diouane, S\'ebastien Le Digabel, Paul Saves
Abstract: Heterogeneous datasets emerge in various machine learning or optimization applications that feature different data sources, various data types and complex relationships between variables. In practice, heterogeneous datasets are often partitioned into smaller well-behaved ones that are easier to process. However, some applications involve expensive-to-generate or limited size datasets, which motivates methods based on the whole dataset. The first main contribution of this work is a modeling graph-structured framework that generalizes state-of-the-art hierarchical, tree-structured, or variable-size frameworks. This framework models domains that involve heterogeneous datasets in which variables may be continuous, integer, or categorical, with some identified as meta if their values determine the inclusion/exclusion or affect the bounds of other so-called decreed variables. Excluded variables are introduced to manage variables that are either included or excluded depending on the given points. The second main contribution is the graph-structured distance that compares extended points with any combination of included and excluded variables: any pair of points can be compared, allowing to work directly in heterogeneous datasets with meta variables. The contributions are illustrated with some regression experiments, in which the performance of a multilayer perceptron with respect to its hyperparameters is modeled with inverse distance weighting and $K$-nearest neighbors models.
Authors: Jinxin Xu, Kaixian Xu, Yue Wang, Qinyan Shen, Ruisi Li
Abstract: Financial market risk forecasting involves applying mathematical models, historical data analysis and statistical methods to estimate the impact of future market movements on investments. This process is crucial for investors to develop strategies, financial institutions to manage assets and regulators to formulate policy. In today's society, there are problems of high error rate and low precision in financial market risk prediction, which greatly affect the accuracy of financial market risk prediction. K-means algorithm in machine learning is an effective risk prediction technique for financial market. This study uses K-means algorithm to develop a financial market risk prediction system, which significantly improves the accuracy and efficiency of financial market risk prediction. Ultimately, the outcomes of the experiments confirm that the K-means algorithm operates with user-friendly simplicity and achieves a 94.61% accuracy rate
Authors: Yuwen Qian, Shuchi Wu, Kang Wei, Ming Ding, Di Xiao, Tao Xiang, Chuan Ma, Song Guo
Abstract: Federated self-supervised learning (FSSL) has recently emerged as a promising paradigm that enables the exploitation of clients' vast amounts of unlabeled data while preserving data privacy. While FSSL offers advantages, its susceptibility to backdoor attacks, a concern identified in traditional federated supervised learning (FSL), has not been investigated. To fill the research gap, we undertake a comprehensive investigation into a backdoor attack paradigm, where unscrupulous clients conspire to manipulate the global model, revealing the vulnerability of FSSL to such attacks. In FSL, backdoor attacks typically build a direct association between the backdoor trigger and the target label. In contrast, in FSSL, backdoor attacks aim to alter the global model's representation for images containing the attacker's specified trigger pattern in favor of the attacker's intended target class, which is less straightforward. In this sense, we demonstrate that existing defenses are insufficient to mitigate the investigated backdoor attacks in FSSL, thus finding an effective defense mechanism is urgent. To tackle this issue, we dive into the fundamental mechanism of backdoor attacks on FSSL, proposing the Embedding Inspector (EmInspector) that detects malicious clients by inspecting the embedding space of local models. In particular, EmInspector assesses the similarity of embeddings from different local models using a small set of inspection images (e.g., ten images of CIFAR100) without specific requirements on sample distribution or labels. We discover that embeddings from backdoored models tend to cluster together in the embedding space for a given inspection image. Evaluation results show that EmInspector can effectively mitigate backdoor attacks on FSSL across various adversary settings. Our code is avaliable at https://github.com/ShuchiWu/EmInspector.
Authors: Andreas W M Sauter, Erman Acar, Aske Plaat
Abstract: Research on causal effects often relies on synthetic data due to the scarcity of real-world datasets with ground-truth effects. Since current data-generating tools do not always meet all requirements for state-of-the-art research, ad-hoc methods are often employed. This leads to heterogeneity among datasets and delays research progress. We address the shortcomings of current data-generating libraries by introducing CausalPlayground, a Python library that provides a standardized platform for generating, sampling, and sharing structural causal models (SCMs). CausalPlayground offers fine-grained control over SCMs, interventions, and the generation of datasets of SCMs for learning and quantitative research. Furthermore, by integrating with Gymnasium, the standard framework for reinforcement learning (RL) environments, we enable online interaction with the SCMs. Overall, by introducing CausalPlayground we aim to foster more efficient and comparable research in the field. All code and API documentation is available at https://github.com/sa-and/CausalPlayground.
Authors: Yusong Zhang, Kun Xie, Xingyi Zhang, Xiangyu Dong, Sibo Wang
Abstract: The proliferation of rumors on social media platforms during significant events, such as the US elections and the COVID-19 pandemic, has a profound impact on social stability and public health. Existing approaches for rumor detection primarily rely on propagation graphs to enhance model effectiveness. However, the presence of noisy and irrelevant structures during the propagation process limits the efficacy of these approaches. To tackle this issue, techniques such as weight adjustment and data augmentation have been proposed. However, these techniques heavily depend on rich original propagation structures, thus hindering performance when dealing with rumors that lack sufficient propagation information in the early propagation stages. In this paper, we propose Key Propagation Graph Generator (KPG), a novel reinforcement learning-based rumor detection framework that generates contextually coherent and informative propagation patterns for events with insufficient topology information, while also identifies indicative substructures for events with redundant and noisy propagation structures. KPG consists of two key components: the Candidate Response Generator (CRG) and the Ending Node Selector (ENS). CRG learns the latent distribution from refined propagation patterns, filtering out noise and generating new candidates for ENS. Simultaneously, ENS identifies the most influential substructures within propagation graphs and generates training data for CRG. Moreover, we introduce an end-to-end framework that utilizes rewards to guide the entire training process via a pre-trained graph neural network. Extensive experiments conducted on four datasets demonstrate the superiority of our KPG compared to the state-of-the-art approaches.
Authors: Tommaso Cesari, Roberto Colomboni
Abstract: We explore brokerage between traders in an online learning framework. At any round $t$, two traders meet to exchange an asset, provided the exchange is mutually beneficial. The broker proposes a trading price, and each trader tries to sell their asset or buy the asset from the other party, depending on whether the price is higher or lower than their private valuations. A trade happens if one trader is willing to sell and the other is willing to buy at the proposed price. Previous work provided guidance to a broker aiming at enhancing traders' total earnings by maximizing the gain from trade, defined as the sum of the traders' net utilities after each interaction. In contrast, we investigate how the broker should behave to maximize the trading volume, i.e., the total number of trades. We model the traders' valuations as an i.i.d. process with an unknown distribution. If the traders' valuations are revealed after each interaction (full-feedback), and the traders' valuations cumulative distribution function (cdf) is continuous, we provide an algorithm achieving logarithmic regret and show its optimality up to constant factors. If only their willingness to sell or buy at the proposed price is revealed after each interaction ($2$-bit feedback), we provide an algorithm achieving poly-logarithmic regret when the traders' valuations cdf is Lipschitz and show that this rate is near-optimal. We complement our results by analyzing the implications of dropping the regularity assumptions on the unknown traders' valuations cdf. If we drop the continuous cdf assumption, the regret rate degrades to $\Theta(\sqrt{T})$ in the full-feedback case, where $T$ is the time horizon. If we drop the Lipschitz cdf assumption, learning becomes impossible in the $2$-bit feedback case.
Authors: A. Norman Redlich
Abstract: A recursive tree planner (RTP) is designed to function as a pure planner without policies at one extreme and run a pure greedy policy at the other. In between, the RTP exploits policies to improve planning performance and improve zero-shot transfer from one class of planning problem to another. Policies are learned through imitation of the planner. These are then used by the planner to improve policies in a virtuous cycle. To improve planning performance and zero-shot transfer, the RTP incorporates previously learned tasks as generalized actions (GA) at any level of its hierarchy, and can refine those GA by adding primitive actions at any level too. For search, the RTP uses a generalized Dijkstra algorithm [Dijkstra 1959] which tries the greedy policy first and then searches over near-greedy paths and then farther away as necessary. The RPT can return multiple sub-goals from lower levels as well as boundary states near obstacles, and can exploit policies with background and object-number invariance. Policies at all levels of the hierarchy can be learned simultaneously or in any order or come from outside the framework. The RTP is tested here on a variety of Box2d [Cato 2022] problems, including the classic lunar lander [Farama 2022], and on the MuJoCo [Todorov et al 2012] inverted pendulum.
Authors: Tong Zeng, Daniel Acuna
Abstract: Datasets are critical for scientific research, playing an important role in replication, reproducibility, and efficiency. Researchers have recently shown that datasets are becoming more important for science to function properly, even serving as artifacts of study themselves. However, citing datasets is not a common or standard practice in spite of recent efforts by data repositories and funding agencies. This greatly affects our ability to track their usage and importance. A potential solution to this problem is to automatically extract dataset mentions from scientific articles. In this work, we propose to achieve such extraction by using a neural network based on a Bi-LSTM-CRF architecture. Our method achieves F1 = 0.885 in social science articles released as part of the Rich Context Dataset. We discuss the limitations of the current datasets and propose modifications to the model to be done in the future.
Authors: Soumyadip Ghsoh, Yingdong Lu, Tomasz Nowicki
Abstract: We study convergence rates of Hamiltonian Monte Carlo (HMC) algorithms with leapfrog integration under mild conditions on stochastic gradient oracle for the target distribution (SGHMC). Our method extends standard HMC by allowing the use of general auxiliary distributions, which is achieved by a novel procedure of Alternating Directions. The convergence analysis is based on the investigations of the Dirichlet forms associated with the underlying Markov chain driving the algorithms. For this purpose, we provide a detailed analysis on the error of the leapfrog integrator for Hamiltonian motions with both the kinetic and potential energy functions in general form. We characterize the explicit dependence of the convergence rates on key parameters such as the problem dimension, functional properties of both the target and auxiliary distributions, and the quality of the oracle.
Authors: Gaoxiang Li, Yu Zhuang
Abstract: Physical Unclonable Functions (PUFs) are emerging as promising security primitives for IoT devices, providing device fingerprints based on physical characteristics. Despite their strengths, PUFs are vulnerable to machine learning (ML) attacks, including conventional and reliability-based attacks. Conventional ML attacks have been effective in revealing vulnerabilities of many PUFs, and reliability-based ML attacks are more powerful tools that have detected vulnerabilities of some PUFs that are resistant to conventional ML attacks. Since reliability-based ML attacks leverage information of PUFs' unreliability, we were tempted to examine the feasibility of building defense using reliability enhancing techniques, and have discovered that majority voting with reasonably high repeats provides effective defense against existing reliability-based ML attack methods. It is known that majority voting reduces but does not eliminate unreliability, we are motivated to investigate if new attack methods exist that can capture the low unreliability of highly but not-perfectly reliable PUFs, which led to the development of a new reliability representation and the new representation-enabled attack method that has experimentally cracked PUFs enhanced with majority voting of high repetitions.
Authors: Yifan Chen, Bamdad Hosseini, Houman Owhadi, Andrew M Stuart
Abstract: The article presents a systematic study of the problem of conditioning a Gaussian random variable $\xi$ on nonlinear observations of the form $F \circ \phi(\xi)$ where $\phi: \mathcal{X} \to \mathbb{R}^N$ is a bounded linear operator and $F$ is nonlinear. Such problems arise in the context of Bayesian inference and recent machine learning-inspired PDE solvers. We give a representer theorem for the conditioned random variable $\xi \mid F\circ \phi(\xi)$, stating that it decomposes as the sum of an infinite-dimensional Gaussian (which is identified analytically) as well as a finite-dimensional non-Gaussian measure. We also introduce a novel notion of the mode of a conditional measure by taking the limit of the natural relaxation of the problem, to which we can apply the existing notion of maximum a posteriori estimators of posterior measures. Finally, we introduce a variant of the Laplace approximation for the efficient simulation of the aforementioned conditioned Gaussian random variables towards uncertainty quantification.
Authors: Nicola Bariletto, Khai Nguyen, Nhat Ho
Abstract: This paper presents a novel optimization framework to address key challenges presented by modern machine learning applications: High dimensionality, distributional uncertainty, and data heterogeneity. Our approach unifies regularized estimation, distributionally robust optimization (DRO), and hierarchical Bayesian modeling in a single data-driven criterion. By employing a hierarchical Dirichlet process (HDP) prior, the method effectively handles multi-source data, achieving regularization, distributional robustness, and borrowing strength across diverse yet related data-generating processes. We demonstrate the method's advantages by establishing theoretical performance guarantees and tractable Monte Carlo approximations based on Dirichlet process (DP) theory. Numerical experiments validate the framework's efficacy in improving and stabilizing both prediction and parameter estimation accuracy, showcasing its potential for application in complex data environments.
Authors: Melissa Adrian, Daniel Sanz-Alonso, Rebecca Willett
Abstract: Modern data-driven surrogate models for weather forecasting provide accurate short-term predictions but inaccurate and nonphysical long-term forecasts. This paper investigates online weather prediction using machine learning surrogates supplemented with partial and noisy observations. We empirically demonstrate and theoretically justify that, despite the long-time instability of the surrogates and the sparsity of the observations, filtering estimates can remain accurate in the long-time horizon. As a case study, we integrate FourCastNet, a state-of-the-art weather surrogate model, within a variational data assimilation framework using partial, noisy ERA5 data. Our results show that filtering estimates remain accurate over a year-long assimilation window and provide effective initial conditions for forecasting tasks, including extreme event prediction.
Authors: Krishna Prasad Varadarajan Srinivasan, Prasanth Gumpena, Madhusudhana Yattapu, Vishal H. Brahmbhatt
Abstract: In the domain of large language models (LLMs), arXiv:2305.16938 showed that few-shot full-model fine-tuning -- namely Vanilla Fine Tuning (FT) and Pattern-Based Fine Tuning (PBFT) --, and In-Context Learning (ICL) generalize similarly on Out-Of-Domain (OOD) datasets, but vary in terms of task adaptation. However, they both pose challenges, especially in term of memory requirements. In this paper, we further try to push the understanding of different fine-tuning strategies for LLM and aim to bring a myriad of these on the same pedestal for an elaborate comparison with full-model fine-tuning on two diverse datasets. To that end, we conducted a series of experiments, beginning with state-of-the-art methods like vanilla fine-tuning and Pattern-Based Fine-Tuning (PBFT) on pre-trained models across two datasets, COLA and MNLI. We then investigate adaptive fine-tuning and the efficiency of LoRA adapters in a few-shot setting. Finally, we also compare an alternative approach that has gained recent popularity -- context distillation -- with the vanilla FT and PBFT with and without few-shot setup. Our findings suggest that these alternative strategies that we explored can exhibit out-of-domain generalization comparable to that of vanilla FT and PBFT. PBFT under-performs Vanilla FT on out-of-domain (OOD) data, emphasizing the need for effective prompts. Further, our adaptive-fine tuning and LoRA experiments perform comparable or slightly worse than the standard fine-tunings as anticipated, since standard fine-tunings involve tuning the entire model. Finally, our context distillation experiments out-perform the standard fine-tuning methods. These findings underscore that eventually the choice of an appropriate fine-tuning method depends on the available resources (memory, compute, data) and task adaptability.
Authors: Nawfal Guefrachi, Hakim Ghazzai, Ahmad Alsharoa
Abstract: The 3D object detection capabilities in urban environments have been enormously improved by recent developments in Light Detection and Range (LiDAR) technology. This paper presents a novel framework that transforms the detection and analysis of 3D objects in traffic scenarios by utilizing the power of elevated LiDAR sensors. We are presenting our methodology's remarkable capacity to collect complex 3D point cloud data, which allows us to accurately and in detail capture the dynamics of urban traffic. Due to the limitation in obtaining real-world traffic datasets, we utilize the simulator to generate 3D point cloud for specific scenarios. To support our experimental analysis, we firstly simulate various 3D point cloud traffic-related objects. Then, we use this dataset as a basis for training and evaluating our 3D object detection models, in identifying and monitoring both vehicles and pedestrians in simulated urban traffic environments. Next, we fine tune the Point Voxel-Region-based Convolutional Neural Network (PV-RCNN) architecture, making it more suited to handle and understand the massive volumes of point cloud data generated by our urban traffic simulations. Our results show the effectiveness of the proposed solution in accurately detecting objects in traffic scenes and highlight the role of LiDAR in improving urban safety and advancing intelligent transportation systems.
Authors: Neisarg Dave, Daniel Kifer, C. Lee Giles, Ankur Mali
Abstract: Prompting techniques have significantly enhanced the capabilities of Large Language Models (LLMs) across various complex tasks, including reasoning, planning, and solving math word problems. However, most research has predominantly focused on language-based reasoning and word problems, often overlooking the potential of LLMs in handling symbol-based calculations and reasoning. This study aims to bridge this gap by rigorously evaluating LLMs on a series of symbolic tasks, such as addition, multiplication, modulus arithmetic, numerical precision, and symbolic counting. Our analysis encompasses eight LLMs, including four enterprise-grade and four open-source models, of which three have been pre-trained on mathematical tasks. The assessment framework is anchored in Chomsky's Hierarchy, providing a robust measure of the computational abilities of these models. The evaluation employs minimally explained prompts alongside the zero-shot Chain of Thoughts technique, allowing models to navigate the solution process autonomously. The findings reveal a significant decline in LLMs' performance on context-free and context-sensitive symbolic tasks as the complexity, represented by the number of symbols, increases. Notably, even the fine-tuned GPT3.5 exhibits only marginal improvements, mirroring the performance trends observed in other models. Across the board, all models demonstrated a limited generalization ability on these symbol-intensive tasks. This research underscores LLMs' challenges with increasing symbolic complexity and highlights the need for specialized training, memory and architectural adjustments to enhance their proficiency in symbol-based reasoning tasks.
Authors: Hadi Pouransari, Chun-Liang Li, Jen-Hao Rick Chang, Pavan Kumar Anasosalu Vasu, Cem Koc, Vaishaal Shankar, Oncel Tuzel
Abstract: Large language models (LLMs) are commonly trained on datasets consisting of fixed-length token sequences. These datasets are created by randomly concatenating documents of various lengths and then chunking them into sequences of a predetermined target length. However, this method of concatenation can lead to cross-document attention within a sequence, which is neither a desirable learning signal nor computationally efficient. Additionally, training on long sequences becomes computationally prohibitive due to the quadratic cost of attention. In this study, we introduce dataset decomposition, a novel variable sequence length training technique, to tackle these challenges. We decompose a dataset into a union of buckets, each containing sequences of the same size extracted from a unique document. During training, we use variable sequence length and batch size, sampling simultaneously from all buckets with a curriculum. In contrast to the concat-and-chunk baseline, which incurs a fixed attention cost at every step of training, our proposed method incurs a penalty proportional to the actual document lengths at each step, resulting in significant savings in training time. We train an 8k context-length 1B model at the same cost as a 2k context-length model trained with the baseline approach. Experiments on a web-scale corpus demonstrate that our approach significantly enhances performance on standard language evaluations and long-context benchmarks, reaching target accuracy 3x faster compared to the baseline. Our method not only enables efficient pretraining on long sequences but also scales effectively with dataset size. Lastly, we shed light on a critical yet less studied aspect of training large language models: the distribution and curriculum of sequence lengths, which results in a non-negligible difference in performance.
Authors: Jayroop Ramesh, Nicola K Dinsdale, the INTERGROWTH-21st Consortium, Pak-Hei Yeung, Ana IL Namburete
Abstract: Accurately localizing two-dimensional (2D) ultrasound (US) fetal brain images in the 3D brain, using minimal computational resources, is an important task for automated US analysis of fetal growth and development. We propose an uncertainty-aware deep learning model for automated 3D plane localization in 2D fetal brain images. Specifically, a multi-head network is trained to jointly regress 3D plane pose from 2D images in terms of different geometric transformations. The model explicitly learns to predict uncertainty to allocate higher weight to inputs with low variances across different transformations to improve performance. Our proposed method, QAERTS, demonstrates superior pose estimation accuracy than the state-of-the-art and most of the uncertainty-based approaches, leading to 9% improvement on plane angle (PA) for localization accuracy, and 8% on normalized cross-correlation (NCC) for sampled image quality. QAERTS also demonstrates efficiency, containing 5$\times$ fewer parameters than ensemble-based approach, making it advantageous in resource-constrained settings. In addition, QAERTS proves to be more robust to noise effects observed in freehand US scanning by leveraging rotational discontinuities and explicit output uncertainties.
Authors: Peng Liu, Nian Wang, Cong Xu, Ming Zhao, Bin Wang, Yi Ren
Abstract: Recommender Systems (RSs) provide personalized recommendation service based on user interest, which are widely used in various platforms. However, there are lots of users with sparse interest due to lacking consumption behaviors, which leads to poor recommendation results for them. This problem is widespread in large-scale RSs and is particularly difficult to address. To solve this problem, we propose a novel solution named User Interest Enhancement (UIE) which enhances user interest including user profile and user history behavior sequences using the enhancement vectors and personalized enhancement vector generated based on stream clustering and memory networks from different perspectives. UIE not only remarkably improves model performance on the users with sparse interest but also significantly enhance model performance on other users. UIE is an end-to-end solution which is easy to be implemented based on ranking model. Moreover, we expand our solution and apply similar methods to long-tail items, which also achieves excellent improvement. Furthermore, we conduct extensive offline and online experiments in a large-scale industrial RS. The results demonstrate that our model outperforms other models remarkably, especially for the users with sparse interest. Until now, UIE has been fully deployed in multiple large-scale RSs and achieved remarkable improvements.
Authors: Yinan Zhao, Xavier Dumusque, Michael Cretignier, Andrew Collier Cameron, David W. Latham, Mercedes L\'opez-Morales, Michel Mayor, Alessandro Sozzetti, Rosario Cosentino, Isidro G\'omez-Vargas, Francesco Pepe, Stephane Udry
Abstract: Many novel methods have been proposed to mitigate stellar activity for exoplanet detection as the presence of stellar activity in radial velocity (RV) measurements is the current major limitation. Unlike traditional methods that model stellar activity in the RV domain, more methods are moving in the direction of disentangling stellar activity at the spectral level. The goal of this paper is to present a novel convolutional neural network-based algorithm that efficiently models stellar activity signals at the spectral level, enhancing the detection of Earth-like planets. We trained a convolutional neural network to build the correlation between the change in the spectral line profile and the corresponding RV, full width at half maximum (FWHM) and bisector span (BIS) values derived from the classical cross-correlation function. This algorithm has been tested on three intensively observed stars: Alpha Centauri B (HD128621), Tau ceti (HD10700), and the Sun. By injecting simulated planetary signals at the spectral level, we demonstrate that our machine learning algorithm can achieve, for HD128621 and HD10700, a detection threshold of 0.5 m/s in semi-amplitude for planets with periods ranging from 10 to 300 days. This threshold would correspond to the detection of a $\sim$4$\mathrm{M}_{\oplus}$ in the habitable zone of those stars. On the HARPS-N solar dataset, our algorithm is even more efficient at mitigating stellar activity signals and can reach a threshold of 0.2 m/s, which would correspond to a 2.2$\mathrm{M}_{\oplus}$ planet on the orbit of the Earth. To the best of our knowledge, it is the first time that such low detection thresholds are reported for the Sun, but also for other stars, and therefore this highlights the efficiency of our convolutional neural network-based algorithm at mitigating stellar activity in RV measurements.
Authors: David Pogorzelski, Peter Arlinghaus
Abstract: In this paper, we introduce a novel method designed to enhance label efficiency in satellite imagery analysis by integrating semi-supervised learning (SSL) with active learning strategies. Our approach utilizes contrastive learning together with uncertainty estimations via Monte Carlo Dropout (MC Dropout), with a particular focus on Sentinel-2 imagery analyzed using the Eurosat dataset. We explore the effectiveness of our method in scenarios featuring both balanced and unbalanced class distributions. Our results show that for unbalanced classes, our method is superior to the random approach, enabling significant savings in labeling effort while maintaining high classification accuracy. These findings highlight the potential of our approach to facilitate scalable and cost-effective satellite image analysis, particularly advantageous for extensive environmental monitoring and land use classification tasks. Note on preliminary results: This paper presents a new method for active learning and includes results from an initial experiment comparing random selection with our proposed method. We acknowledge that these results are preliminary. We are currently conducting further experiments and will update this paper with additional findings, including comparisons with other methods, in the coming weeks.
Authors: Wonwoo Kang, Heehyun Park
Abstract: Curvature serves as a potent and descriptive invariant, with its efficacy validated both theoretically and practically within graph theory. We employ a definition of generalized Ricci curvature proposed by Ollivier, which Lin and Yau later adapted to graph theory, known as Ollivier-Ricci curvature (ORC). ORC measures curvature using the Wasserstein distance, thereby integrating geometric concepts with probability theory and optimal transport. Jost and Liu previously discussed the lower bound of ORC by showing the upper bound of the Wasserstein distance. We extend the applicability of these bounds to discrete spaces with metrics on integers, specifically hypergraphs. Compared to prior work on ORC in hypergraphs by Coupette, Dalleiger, and Rieck, which faced computational challenges, our method introduces a simplified approach with linear computational complexity, making it particularly suitable for analyzing large-scale networks. Through extensive simulations and application to synthetic and real-world datasets, we demonstrate the significant improvements our method offers in evaluating ORC.
Authors: Muhammad Ansab Butt, Absaar Ul Jabbar
Abstract: Brain tumor segmentation is a critical task in medical image analysis, aiding in the diagnosis and treatment planning of brain tumor patients. The importance of automated and accurate brain tumor segmentation cannot be overstated. It enables medical professionals to precisely delineate tumor regions, assess tumor growth or regression, and plan targeted treatments. Various deep learning-based techniques proposed in the literature have made significant progress in this field, however, they still face limitations in terms of accuracy due to the complex and variable nature of brain tumor morphology. In this research paper, we propose a novel Hybrid Multihead Attentive U-Net architecture, to address the challenges in accurate brain tumor segmentation, and to capture complex spatial relationships and subtle tumor boundaries. The U-Net architecture has proven effective in capturing contextual information and feature representations, while attention mechanisms enhance the model's ability to focus on informative regions and refine the segmentation boundaries. By integrating these two components, our proposed architecture improves accuracy in brain tumor segmentation. We test our proposed model on the BraTS 2020 benchmark dataset and compare its performance with the state-of-the-art well-known SegNet, FCN-8s, and Dense121 U-Net architectures. The results show that our proposed model outperforms the others in terms of the evaluated performance metrics.
Authors: Denys Katerenchuk, Rivka Levitan
Abstract: Humans express ideas, beliefs, and statements through language. The manner of expression can carry information indicating the author's degree of confidence in their statement. Understanding the certainty level of a claim is crucial in areas such as medicine, finance, engineering, and many others where errors can lead to disastrous results. In this work, we apply a joint model that leverages words and part-of-speech tags to improve hedge detection in text and achieve a new top score on the CoNLL-2010 Wikipedia corpus.
Authors: Sang-Hyun Lee, Daehyeok Kwon, Seung-Woo Seo
Abstract: Reinforcement learning (RL) provides a compelling framework for enabling autonomous vehicles to continue to learn and improve diverse driving behaviors on their own. However, training real-world autonomous vehicles with current RL algorithms presents several challenges. One critical challenge, often overlooked in these algorithms, is the need to reset a driving environment between every episode. While resetting an environment after each episode is trivial in simulated settings, it demands significant human intervention in the real world. In this paper, we introduce a novel autonomous algorithm that allows off-the-shelf RL algorithms to train an autonomous vehicle with minimal human intervention. Our algorithm takes into account the learning progress of the autonomous vehicle to determine when to abort episodes before it enters unsafe states and where to reset it for subsequent episodes in order to gather informative transitions. The learning progress is estimated based on the novelty of both current and future states. We also take advantage of rule-based autonomous driving algorithms to safely reset an autonomous vehicle to an initial state. We evaluate our algorithm against baselines on diverse urban driving tasks. The experimental results show that our algorithm is task-agnostic and achieves better driving performance with fewer manual resets than baselines.
Authors: Corinne Aars, Lauren Adams, Xiaokan Tian, Zhaoyu Wang, Colton Wismer, Jason Wu, Pablo Rivas, Korn Sooksatra, Matthew Fendt
Abstract: This study presents the development and evaluation of a ByteT5-based multilingual translation model tailored for translating the Bible into underrepresented languages. Utilizing the comprehensive Johns Hopkins University Bible Corpus, we trained the model to capture the intricate nuances of character-based and morphologically rich languages. Our results, measured by the BLEU score and supplemented with sample translations, suggest the model can improve accessibility to sacred texts. It effectively handles the distinctive biblical lexicon and structure, thus bridging the linguistic divide. The study also discusses the model's limitations and suggests pathways for future enhancements, focusing on expanding access to sacred literature across linguistic boundaries.
Authors: Zhenting Wang, Vikash Sehwag, Chen Chen, Lingjuan Lyu, Dimitris N. Metaxas, Shiqing Ma
Abstract: Latent generative models (e.g., Stable Diffusion) have become more and more popular, but concerns have arisen regarding potential misuse related to images generated by these models. It is, therefore, necessary to analyze the origin of images by inferring if a particular image was generated by a specific latent generative model. Most existing methods (e.g., image watermark and model fingerprinting) require extra steps during training or generation. These requirements restrict their usage on the generated images without such extra operations, and the extra required operations might compromise the quality of the generated images. In this work, we ask whether it is possible to effectively and efficiently trace the images generated by a specific latent generative model without the aforementioned requirements. To study this problem, we design a latent inversion based method called LatentTracer to trace the generated images of the inspected model by checking if the examined images can be well-reconstructed with an inverted latent input. We leverage gradient based latent inversion and identify a encoder-based initialization critical to the success of our approach. Our experiments on the state-of-the-art latent generative models, such as Stable Diffusion, show that our method can distinguish the images generated by the inspected model and other images with a high accuracy and efficiency. Our findings suggest the intriguing possibility that today's latent generative generated images are naturally watermarked by the decoder used in the source models. Code: https://github.com/ZhentingWang/LatentTracer.
Authors: Danial Ebrat, Luis Rueda
Abstract: Training reinforcement learning-based recommender systems are often hindered by the lack of dynamic and realistic user interactions. Lusifer, a novel environment leveraging Large Language Models (LLMs), addresses this limitation by generating simulated user feedback. It synthesizes user profiles and interaction histories to simulate responses and behaviors toward recommended items. In addition, user profiles are updated after each rating to reflect evolving user characteristics. Using the MovieLens100K dataset as proof of concept, Lusifer demonstrates accurate emulation of user behavior and preferences. This paper presents Lusifer's operational pipeline, including prompt generation and iterative user profile updates. While validating Lusifer's ability to produce realistic dynamic feedback, future research could utilize this environment to train reinforcement learning systems, offering a scalable and adjustable framework for user simulation in online recommender systems.
Authors: Yasmeena Akhter, Rishabh Ranjan, Richa Singh, Mayank Vatsa
Abstract: This research addresses the challenges of diagnosing chest X-rays (CXRs) at low resolutions, a common limitation in resource-constrained healthcare settings. High-resolution CXR imaging is crucial for identifying small but critical anomalies, such as nodules or opacities. However, when images are downsized for processing in Computer-Aided Diagnosis (CAD) systems, vital spatial details and receptive fields are lost, hampering diagnosis accuracy. To address this, this paper presents the Multilevel Collaborative Attention Knowledge (MLCAK) method. This approach leverages the self-attention mechanism of Vision Transformers (ViT) to transfer critical diagnostic knowledge from high-resolution images to enhance the diagnostic efficacy of low-resolution CXRs. MLCAK incorporates local pathological findings to boost model explainability, enabling more accurate global predictions in a multi-task framework tailored for low-resolution CXR analysis. Our research, utilizing the Vindr CXR dataset, shows a considerable enhancement in the ability to diagnose diseases from low-resolution images (e.g. 28 x 28), suggesting a critical transition from the traditional reliance on high-resolution imaging (e.g. 224 x 224).
Authors: Hee-Youl Kwak, Dae-Young Yun, Yongjune Kim, Sang-Hyo Kim, Jong-Seon No
Abstract: Ensuring extremely high reliability is essential for channel coding in 6G networks. The next-generation of ultra-reliable and low-latency communications (xURLLC) scenario within 6G networks requires a frame error rate (FER) below 10-9. However, low-density parity-check (LDPC) codes, the standard in 5G new radio (NR), encounter a challenge known as the error floor phenomenon, which hinders to achieve such low rates. To tackle this problem, we introduce an innovative solution: boosted neural min-sum (NMS) decoder. This decoder operates identically to conventional NMS decoders, but is trained by novel training methods including: i) boosting learning with uncorrected vectors, ii) block-wise training schedule to address the vanishing gradient issue, iii) dynamic weight sharing to minimize the number of trainable weights, iv) transfer learning to reduce the required sample count, and v) data augmentation to expedite the sampling process. Leveraging these training strategies, the boosted NMS decoder achieves the state-of-the art performance in reducing the error floor as well as superior waterfall performance. Remarkably, we fulfill the 6G xURLLC requirement for 5G LDPC codes without the severe error floor. Additionally, the boosted NMS decoder, once its weights are trained, can perform decoding without additional modules, making it highly practical for immediate application.
Authors: Pierre Marion, L\'ena\"ic Chizat
Abstract: The largest eigenvalue of the Hessian, or sharpness, of neural networks is a key quantity to understand their optimization dynamics. In this paper, we study the sharpness of deep linear networks for overdetermined univariate regression. Minimizers can have arbitrarily large sharpness, but not an arbitrarily small one. Indeed, we show a lower bound on the sharpness of minimizers, which grows linearly with depth. We then study the properties of the minimizer found by gradient flow, which is the limit of gradient descent with vanishing learning rate. We show an implicit regularization towards flat minima: the sharpness of the minimizer is no more than a constant times the lower bound. The constant depends on the condition number of the data covariance matrix, but not on width or depth. This result is proven both for a small-scale initialization and a residual initialization. Results of independent interest are shown in both cases. For small-scale initialization, we show that the learned weight matrices are approximately rank-one and that their singular vectors align. For residual initialization, convergence of the gradient flow for a Gaussian initialization of the residual network is proven. Numerical experiments illustrate our results and connect them to gradient descent with non-vanishing learning rate.
Authors: Rakesh Nath-Ranga, Olivier Absil, Valentin Christiaens, Emily O. Garvin
Abstract: The advent of high-contrast imaging instruments combined with medium-resolution spectrographs allows spectral and temporal dimensions to be combined with spatial dimensions to detect and potentially characterize exoplanets with higher sensitivity. We develop a new method to effectively leverage the spectral and spatial dimensions in integral-field spectroscopy (IFS) datasets using a supervised deep-learning algorithm to improve the detection sensitivity to high-contrast exoplanets. We begin by applying a data transform whereby the IFS datasets are replaced by cross-correlation coefficient tensors obtained by cross-correlating our data with young gas giant spectral template spectra. This transformed data is then used to train machine learning (ML) algorithms. We train a 2D CNN and 3D LSTM with our data. We compare the ML models with a non-ML algorithm, based on the STIM map of arXiv:1810.06895. We test our algorithms on simulated young gas giants in a dataset that contains no known exoplanet, and explore the sensitivity of algorithms to detect these exoplanets at contrasts ranging from 1e-3 to 1e-4 at different radial separations. We quantify the sensitivity using modified receiver operating characteristic curves (mROC). We discover that the ML algorithms produce fewer false positives and have a higher true positive rate than the STIM-based algorithm, and the true positive rate of ML algorithms is less impacted by changing radial separation. We discover that the velocity dimension is an important differentiating factor. Through this paper, we demonstrate that ML techniques have the potential to improve the detection limits and reduce false positives for directly imaged planets in IFS datasets, after transforming the spectral dimension into a radial velocity dimension through a cross-correlation operation.
Authors: Emily O. Garvin, Markus J. Bonse, Jean Hayoz, Gabriele Cugno, Jonas Spiller, Polychronis A. Patapis, Dominique Petit Dit de la Roche, Rakesh Nath-Ranga, Olivier Absil, Nicolai F. Meinshausen, Sascha P. Quanz
Abstract: The new generation of observatories and instruments (VLT/ERIS, JWST, ELT) motivate the development of robust methods to detect and characterise faint and close-in exoplanets. Molecular mapping and cross-correlation for spectroscopy use molecular templates to isolate a planet's spectrum from its host star. However, reliance on signal-to-noise ratio (S/N) metrics can lead to missed discoveries, due to strong assumptions of Gaussian independent and identically distributed noise. We introduce machine learning for cross-correlation spectroscopy (MLCCS); the method aims to leverage weak assumptions on exoplanet characterisation, such as the presence of specific molecules in atmospheres, to improve detection sensitivity for exoplanets. MLCCS methods, including a perceptron and unidimensional convolutional neural networks, operate in the cross-correlated spectral dimension, in which patterns from molecules can be identified. We test on mock datasets of synthetic planets inserted into real noise from SINFONI at K-band. The results from MLCCS show outstanding improvements. The outcome on a grid of faint synthetic gas giants shows that for a false discovery rate up to 5%, a perceptron can detect about 26 times the amount of planets compared to an S/N metric. This factor increases up to 77 times with convolutional neural networks, with a statistical sensitivity shift from 0.7% to 55.5%. In addition, MLCCS methods show a drastic improvement in detection confidence and conspicuity on imaging spectroscopy. Once trained, MLCCS methods offer sensitive and rapid detection of exoplanets and their molecular species in the spectral dimension. They handle systematic noise and challenging seeing conditions, can adapt to many spectroscopic instruments and modes, and are versatile regarding atmospheric characteristics, which can enable identification of various planets in archival and future data.
Authors: Yuheng Ma, Ke Jia, Hanfang Yang
Abstract: We initiate the study of locally differentially private (LDP) learning with public features. We define semi-feature LDP, where some features are publicly available while the remaining ones, along with the label, require protection under local differential privacy. Under semi-feature LDP, we demonstrate that the mini-max convergence rate for non-parametric regression is significantly reduced compared to that of classical LDP. Then we propose HistOfTree, an estimator that fully leverages the information contained in both public and private features. Theoretically, HistOfTree reaches the mini-max optimal convergence rate. Empirically, HistOfTree achieves superior performance on both synthetic and real data. We also explore scenarios where users have the flexibility to select features for protection manually. In such cases, we propose an estimator and a data-driven parameter tuning strategy, leading to analogous theoretical and empirical results.
Authors: Simon Baeuerle, Andreas Steimer, Ralf Mikut
Abstract: Thermal management of power electronics and Electronic Control Units is crucial in times of increasing power densities and limited assembly space. Electric and autonomous vehicles are a prominent application field. Thermal Interface Materials are used to transfer heat from a semiconductor to a heatsink. They are applied along a dispense path onto the semiconductor and spread over its entire surface once the heatsink is joined. To plan this application path, design engineers typically perform an iterative trial-and-error procedure of elaborate simulations and manual experiments. We propose a fully automated optimization approach, which clearly outperforms the current manual path planning and respects all relevant manufacturing constraints. An optimum dispense path increases the reliability of the thermal interface and makes the manufacturing more sustainable by reducing material waste. We show results on multiple real products from automotive series production, including an experimental validation on actual series manufacturing equipment.
Authors: Yixiong Chen, Weichuan Fang
Abstract: In recent years, with the development of quantum machine learning, quantum neural networks (QNNs) have gained increasing attention in the field of natural language processing (NLP) and have achieved a series of promising results. However, most existing QNN models focus on the architectures of quantum recurrent neural network (QRNN) and self-attention mechanism (QSAM). In this work, we propose a novel QNN model based on quantum convolution. We develop the quantum depthwise convolution that significantly reduces the number of parameters and lowers computational complexity. We also introduce the multi-scale feature fusion mechanism to enhance model performance by integrating word-level and sentence-level features. Additionally, we propose the quantum word embedding and quantum sentence embedding, which provide embedding vectors more efficiently. Through experiments on two benchmark text classification datasets, we demonstrate our model outperforms a wide range of state-of-the-art QNN models. Notably, our model achieves a new state-of-the-art test accuracy of 96.77% on the RP dataset. We also show the advantages of our quantum model over its classical counterparts in its ability to improve test accuracy using fewer parameters. Finally, an ablation test confirms the effectiveness of the multi-scale feature fusion mechanism and quantum depthwise convolution in enhancing model performance.
Authors: Mingye Zhu, Yi Liu, Lei Zhang, Junbo Guo, Zhendong Mao
Abstract: Recently, tremendous strides have been made to align the generation of Large Language Models (LLMs) with human values to mitigate toxic or unhelpful content. Leveraging Reinforcement Learning from Human Feedback (RLHF) proves effective and is widely adopted by researchers. However, implementing RLHF is complex, and its sensitivity to hyperparameters renders achieving stable performance and scalability challenging. Furthermore, prevailing approaches to preference alignment primarily concentrate on pairwise comparisons, with limited exploration into multi-response scenarios, thereby overlooking the potential richness within the candidate pool. For the above reasons, we propose a new approach: Listwise Reward Enhancement for Preference Alignment (LIRE), a gradient-based reward optimization approach that incorporates the offline rewards of multiple responses into a streamlined listwise framework, thus eliminating the need for online sampling during training. LIRE is straightforward to implement, requiring minimal parameter tuning, and seamlessly aligns with the pairwise paradigm while naturally extending to multi-response scenarios. Moreover, we introduce a self-enhancement algorithm aimed at iteratively refining the reward during training. Our experiments demonstrate that LIRE consistently outperforms existing methods across several benchmarks on dialogue and summarization tasks, with good transferability to out-of-distribution data, assessed using proxy reward models and human annotators.
Authors: Yuu Jinnai, Ukyo Honda
Abstract: Preference optimization is a standard approach to fine-tuning large language models to align with human preferences. The quality, diversity, and quantity of the preference dataset are critical to the effectiveness of preference optimization. However, obtaining a large amount of high-quality and diverse preference annotations is difficult in many applications. This raises the question of how to use the limited annotation budget to create an effective preference dataset. To this end, we propose Annotation-Efficient Preference Optimization (AEPO). Instead of exhaustively annotating preference over all available response texts, AEPO selects a subset of responses that maximizes quality and diversity from the available responses, and then annotates preference over the selected ones. In this way, AEPO focuses the annotation budget on labeling preference over a smaller subset of responses with diversity and of high quality. We evaluate the performance of Direct Preference Optimization (DPO) using AEPO and show that it outperforms models trained using a standard DPO with the same annotation budget. Our code is available at https://github.com/CyberAgentAILab/annotation-efficient-po
URLs: https://github.com/CyberAgentAILab/annotation-efficient-po
Authors: Wanyu Hu, Vrizlynn L. L. Thing
Abstract: With the drastic increase in the number of new vulnerabilities in the National Vulnerability Database (NVD) every year, the workload for NVD analysts to associate the Common Platform Enumeration (CPE) with the Common Vulnerabilities and Exposures (CVE) summaries becomes increasingly laborious and slow. The delay causes organisations, which depend on NVD for vulnerability management and security measurement, to be more vulnerable to zero-day attacks. Thus, it is essential to come out with a technique and tool to extract the CPEs in the CVE summaries accurately and quickly. In this work, we propose the CPE-Identifier system, an automated CPE annotating and extracting system, from the CVE summaries. The system can be used as a tool to identify CPE entities from new CVE text inputs. Moreover, we also automate the data generating and labeling processes using deep learning models. Due to the complexity of the CVE texts, new technical terminologies appear frequently. To identify novel words in future CVE texts, we apply Natural Language Processing (NLP) Named Entity Recognition (NER), to identify new technical jargons in the text. Our proposed model achieves an F1 score of 95.48%, an accuracy score of 99.13%, a precision of 94.83%, and a recall of 96.14%. We show that it outperforms prior works on automated CVE-CPE labeling by more than 9% on all metrics.
Authors: Congye Wang, Wilson Chen, Heishiro Kanagawa, Chris. J. Oates
Abstract: An informal observation, made by several authors, is that the adaptive design of a Markov transition kernel has the flavour of a reinforcement learning task. Yet, to-date it has remained unclear how to actually exploit modern reinforcement learning technologies for adaptive MCMC. The aim of this paper is to set out a general framework, called Reinforcement Learning Metropolis--Hastings, that is theoretically supported and empirically validated. Our principal focus is on learning fast-mixing Metropolis--Hastings transition kernels, which we cast as deterministic policies and optimise via a policy gradient. Control of the learning rate provably ensures conditions for ergodicity are satisfied. The methodology is used to construct a gradient-free sampler that out-performs a popular gradient-free adaptive Metropolis--Hastings algorithm on $\approx 90 \%$ of tasks in the PosteriorDB benchmark.
Authors: Christian Holberg, Cristopher Salvi
Abstract: We introduce a mathematically rigorous framework based on rough path theory to model stochastic spiking neural networks (SSNNs) as stochastic differential equations with event discontinuities (Event SDEs) and driven by c\`adl\`ag rough paths. Our formalism is general enough to allow for potential jumps to be present both in the solution trajectories as well as in the driving noise. We then identify a set of sufficient conditions ensuring the existence of pathwise gradients of solution trajectories and event times with respect to the network's parameters and show how these gradients satisfy a recursive relation. Furthermore, we introduce a general-purpose loss function defined by means of a new class of signature kernels indexed on c\`adl\`ag rough paths and use it to train SSNNs as generative models. We provide an end-to-end autodifferentiable solver for Event SDEs and make its implementation available as part of the $\texttt{diffrax}$ library. Our framework is, to our knowledge, the first enabling gradient-based training of SSNNs with noise affecting both the spike timing and the network's dynamics.
Authors: Zhiwei Hu, V\'ictor Guti\'errez-Basulto, Zhiliang Xiang, Ru Li, Jeff Z. Pan
Abstract: Knowledge graph entity typing (KGET) aims to infer missing entity type instances in knowledge graphs. Previous research has predominantly centered around leveraging contextual information associated with entities, which provides valuable clues for inference. However, they have long ignored the dual nature of information inherent in entities, encompassing both high-level coarse-grained cluster knowledge and fine-grained type knowledge. This paper introduces Cross-view Optimal Transport for knowledge graph Entity Typing (COTET), a method that effectively incorporates the information on how types are clustered into the representation of entities and types. COTET comprises three modules: i) Multi-view Generation and Encoder, which captures structured knowledge at different levels of granularity through entity-type, entity-cluster, and type-cluster-type perspectives; ii) Cross-view Optimal Transport, transporting view-specific embeddings to a unified space by minimizing the Wasserstein distance from a distributional alignment perspective; iii) Pooling-based Entity Typing Prediction, employing a mixture pooling mechanism to aggregate prediction scores from diverse neighbors of an entity. Additionally, we introduce a distribution-based loss function to mitigate the occurrence of false negatives during training. Extensive experiments demonstrate the effectiveness of COTET when compared to existing baselines.
Authors: Florinel-Alin Croitoru, Vlad Hondru, Radu Tudor Ionescu, Nicu Sebe, Mubarak Shah
Abstract: Direct Preference Optimization (DPO) has been proposed as an effective and efficient alternative to reinforcement learning from human feedback (RLHF). In this paper, we propose a novel and enhanced version of DPO based on curriculum learning for text-to-image generation. Our method is divided into two training stages. First, a ranking of the examples generated for each prompt is obtained by employing a reward model. Then, increasingly difficult pairs of examples are sampled and provided to a text-to-image generative (diffusion or consistency) model. Generated samples that are far apart in the ranking are considered to form easy pairs, while those that are close in the ranking form hard pairs. In other words, we use the rank difference between samples as a measure of difficulty. The sampled pairs are split into batches according to their difficulty levels, which are gradually used to train the generative model. Our approach, Curriculum DPO, is compared against state-of-the-art fine-tuning approaches on three benchmarks, outperforming the competing methods in terms of text alignment, aesthetics and human preference. Our code is available at https://anonymous.4open.science/r/Curriculum-DPO-EE14.
URLs: https://anonymous.4open.science/r/Curriculum-DPO-EE14.
Authors: Ying Ma, Owen Burns, Mingqiu Wang, Gang Li, Nan Du, Laurent El Shafey, Liqiang Wang, Izhak Shafran, Hagen Soltau
Abstract: Reinforcement learning (RL) is an effective method of finding reasoning pathways in incomplete knowledge graphs (KGs). To overcome the challenges of a large action space, a self-supervised pre-training method is proposed to warm up the policy network before the RL training stage. To alleviate the distributional mismatch issue in general self-supervised RL (SSRL), in our supervised learning (SL) stage, the agent selects actions based on the policy network and learns from generated labels; this self-generation of labels is the intuition behind the name self-supervised. With this training framework, the information density of our SL objective is increased and the agent is prevented from getting stuck with the early rewarded paths. Our self-supervised RL (SSRL) method improves the performance of RL by pairing it with the wide coverage achieved by SL during pretraining, since the breadth of the SL objective makes it infeasible to train an agent with that alone. We show that our SSRL model meets or exceeds current state-of-the-art results on all Hits@k and mean reciprocal rank (MRR) metrics on four large benchmark KG datasets. This SSRL method can be used as a plug-in for any RL architecture for a KGR task. We adopt two RL architectures, i.e., MINERVA and MultiHopKG as our baseline RL models and experimentally show that our SSRL model consistently outperforms both baselines on all of these four KG reasoning tasks. Full code for the paper available at https://github.com/owenonline/Knowledge-Graph-Reasoning-with-Self-supervised-Reinforcement-Learning.
URLs: https://github.com/owenonline/Knowledge-Graph-Reasoning-with-Self-supervised-Reinforcement-Learning.
Authors: Anasuya Chattopadhyay, Daniel Reti, Hans D. Schotten
Abstract: The early research report explores the possibility of using Graph Neural Networks (GNNs) for anomaly detection in internet traffic data enriched with information. While recent studies have made significant progress in using GNNs for anomaly detection in finance, multivariate time-series, and biochemistry domains, there is limited research in the context of network flow data. In this report, we explore the idea that leverages information-enriched features extracted from network flow packet data to improve the performance of GNN in anomaly detection. The idea is to utilize feature encoding (binary, numerical, and string) to capture the relationships between the network components, allowing the GNN to learn latent relationships and better identify anomalies.
Authors: Amine Marzouki, Zhuxian Guo, Qinghe Zeng, Camille Kurtz, Nicolas Lom\'enie
Abstract: Efficient and precise quantification of lymphocytes in histopathology slides is imperative for the characterization of the tumor microenvironment and immunotherapy response insights. We developed a data-centric optimization pipeline that attain great lymphocyte detection performance using an off-the-shelf YOLOv5 model, without any architectural modifications. Our contribution that rely on strategic dataset augmentation strategies, includes novel biological upsampling and custom visual cohesion transformations tailored to the unique properties of tissue imagery, and enables to dramatically improve model performances. Our optimization reveals a pivotal realization: given intensive customization, standard computational pathology models can achieve high-capability biomarker development, without increasing the architectural complexity. We showcase the interest of this approach in the context of breast cancer where our strategies lead to good lymphocyte detection performances, echoing a broadly impactful paradigm shift. Furthermore, our data curation techniques enable crucial histological analysis benchmarks, highlighting improved generalizable potential.
Authors: Qijia Jiang, David Nabergoj
Abstract: Leveraging connections between diffusion-based sampling, optimal transport, and optimal stochastic control through their shared links to the Schr\"odinger bridge problem, we propose novel objective functions that can be used to transport $\nu$ to $\mu$, consequently sample from the target $\mu$, via optimally controlled dynamics. We highlight the importance of the pathwise perspective and the role various optimality conditions on the path measure can play for the design of valid training losses, the careful choice of which offer numerical advantages in practical implementation.
Authors: Alireza Nadali, Ashutosh Trivedi, Majid Zamani
Abstract: Control barrier certificates have proven effective in formally guaranteeing the safety of the control systems. However, designing a control barrier certificate is a time-consuming and computationally expensive endeavor that requires expert input in the form of domain knowledge and mathematical maturity. Additionally, when a system undergoes slight changes, the new controller and its correctness certificate need to be recomputed, incurring similar computational challenges as those faced during the design of the original controller. Prior approaches have utilized transfer learning to transfer safety guarantees in the form of a barrier certificate while maintaining the control invariant. Unfortunately, in practical settings, the source and the target environments often deviate substantially in their control inputs, rendering the aforementioned approach impractical. To address this challenge, we propose integrating \emph{inverse dynamics} -- a neural network that suggests required action given a desired successor state -- of the target system with the barrier certificate of the source system to provide formal proof of safety. In addition, we propose a validity condition that, when met, guarantees correctness of the controller. We demonstrate the effectiveness of our approach through three case studies.
Authors: Khouloud Oueslati, Gabriel Laberge, Maxime Lamothe, Foutse Khomh
Abstract: Defect reduction planning plays a vital role in enhancing software quality and minimizing software maintenance costs. By training a black box machine learning model and "explaining" its predictions, explainable AI for software engineering aims to identify the code characteristics that impact maintenance risks. However, post-hoc explanations do not always faithfully reflect what the original model computes. In this paper, we introduce CounterACT, a Counterfactual ACTion rule mining approach that can generate defect reduction plans without black-box models. By leveraging action rules, CounterACT provides a course of action that can be considered as a counterfactual explanation for the class (e.g., buggy or not buggy) assigned to a piece of code. We compare the effectiveness of CounterACT with the original action rule mining algorithm and six established defect reduction approaches on 9 software projects. Our evaluation is based on (a) overlap scores between proposed code changes and actual developer modifications; (b) improvement scores in future releases; and (c) the precision, recall, and F1-score of the plans. Our results show that, compared to competing approaches, CounterACT's explainable plans achieve higher overlap scores at the release level (median 95%) and commit level (median 85.97%), and they offer better trade-off between precision and recall (median F1-score 88.12%). Finally, we venture beyond planning and explore leveraging Large Language models (LLM) for generating code edits from our generated plans. Our results show that suggested LLM code edits supported by our plans are actionable and are more likely to pass relevant test cases than vanilla LLM code recommendations.
Authors: Etienne Chollet, Yael Balbastre, Caroline Magnain, Bruce Fischl, Hui Wang
Abstract: Serial sectioning Optical Coherence Tomography (sOCT) is a high-throughput, label free microscopic imaging technique that is becoming increasingly popular to study post-mortem neurovasculature. Quantitative analysis of the vasculature requires highly accurate segmentation; however, sOCT has low signal-to-noise-ratio and displays a wide range of contrasts and artifacts that depend on acquisition parameters. Furthermore, labeled data is scarce and extremely time consuming to generate. Here, we leverage synthetic datasets of vessels to train a deep learning segmentation model. We construct the vessels with semi-realistic splines that simulate the vascular geometry and compare our model with realistic vascular labels generated by constrained constructive optimization. Both approaches yield similar Dice scores, although with very different false positive and false negative rates. This method addresses the complexity inherent in OCT images and paves the way for more accurate and efficient analysis of neurovascular structures.
Authors: Mohit Prabhushankar, Ghassan AlRegib
Abstract: The widespread adoption of deep neural networks in machine learning calls for an objective quantification of esoteric trust. In this paper we propose GradTrust, a classification trust measure for large-scale neural networks at inference. The proposed method utilizes variance of counterfactual gradients, i.e. the required changes in the network parameters if the label were different. We show that GradTrust is superior to existing techniques for detecting misprediction rates on $50000$ images from ImageNet validation dataset. Depending on the network, GradTrust detects images where either the ground truth is incorrect or ambiguous, or the classes are co-occurring. We extend GradTrust to Video Action Recognition on Kinetics-400 dataset. We showcase results on $14$ architectures pretrained on ImageNet and $5$ architectures pretrained on Kinetics-400. We observe the following: (i) simple methodologies like negative log likelihood and margin classifiers outperform state-of-the-art uncertainty and out-of-distribution detection techniques for misprediction rates, and (ii) the proposed GradTrust is in the Top-2 performing methods on $37$ of the considered $38$ experimental modalities. The code is available at: https://github.com/olivesgatech/GradTrust
Authors: Gwanghyun Kim, Alonso Martinez, Yu-Chuan Su, Brendan Jou, Jos\'e Lezama, Agrim Gupta, Lijun Yu, Lu Jiang, Aren Jansen, Jacob Walker, Krishna Somandepalli
Abstract: Training diffusion models for audiovisual sequences allows for a range of generation tasks by learning conditional distributions of various input-output combinations of the two modalities. Nevertheless, this strategy often requires training a separate model for each task which is expensive. Here, we propose a novel training approach to effectively learn arbitrary conditional distributions in the audiovisual space.Our key contribution lies in how we parameterize the diffusion timestep in the forward diffusion process. Instead of the standard fixed diffusion timestep, we propose applying variable diffusion timesteps across the temporal dimension and across modalities of the inputs. This formulation offers flexibility to introduce variable noise levels for various portions of the input, hence the term mixture of noise levels. We propose a transformer-based audiovisual latent diffusion model and show that it can be trained in a task-agnostic fashion using our approach to enable a variety of audiovisual generation tasks at inference time. Experiments demonstrate the versatility of our method in tackling cross-modal and multimodal interpolation tasks in the audiovisual space. Notably, our proposed approach surpasses baselines in generating temporally and perceptually consistent samples conditioned on the input. Project page: avdit2024.github.io
Authors: Filippo Ruffini, Lorenzo Tronchin, Zhuoru Wu, Wenting Chen, Paolo Soda, Linlin Shen, Valerio Guarrasi
Abstract: In the fight against the COVID-19 pandemic, leveraging artificial intelligence to predict disease outcomes from chest radiographic images represents a significant scientific aim. The challenge, however, lies in the scarcity of large, labeled datasets with compatible tasks for training deep learning models without leading to overfitting. Addressing this issue, we introduce a novel multi-dataset multi-task training framework that predicts COVID-19 prognostic outcomes from chest X-rays (CXR) by integrating correlated datasets from disparate sources, distant from conventional multi-task learning approaches, which rely on datasets with multiple and correlated labeling schemes. Our framework hypothesizes that assessing severity scores enhances the model's ability to classify prognostic severity groups, thereby improving its robustness and predictive power. The proposed architecture comprises a deep convolutional network that receives inputs from two publicly available CXR datasets, AIforCOVID for severity prognostic prediction and BRIXIA for severity score assessment, and branches into task-specific fully connected output networks. Moreover, we propose a multi-task loss function, incorporating an indicator function, to exploit multi-dataset integration. The effectiveness and robustness of the proposed approach are demonstrated through significant performance improvements in prognosis classification tasks across 18 different convolutional neural network backbones in different evaluation strategies. This improvement is evident over single-task baselines and standard transfer learning strategies, supported by extensive statistical analysis, showing great application potential.
Authors: Tarun Kalluri, Jihyeon Lee, Kihyuk Sohn, Sahil Singla, Manmohan Chandraker, Joseph Xu, Jeremiah Liu
Abstract: We present a simple and efficient method to leverage emerging text-to-image generative models in creating large-scale synthetic supervision for the task of damage assessment from aerial images. While significant recent advances have resulted in improved techniques for damage assessment using aerial or satellite imagery, they still suffer from poor robustness to domains where manual labeled data is unavailable, directly impacting post-disaster humanitarian assistance in such under-resourced geographies. Our contribution towards improving domain robustness in this scenario is two-fold. Firstly, we leverage the text-guided mask-based image editing capabilities of generative models and build an efficient and easily scalable pipeline to generate thousands of post-disaster images from low-resource domains. Secondly, we propose a simple two-stage training approach to train robust models while using manual supervision from different source domains along with the generated synthetic target domain data. We validate the strength of our proposed framework under cross-geography domain transfer setting from xBD and SKAI images in both single-source and multi-source settings, achieving significant improvements over a source-only baseline in each case.
Authors: Adrien Corenflos, Zheng Zhao, Simo S\"arkk\"a, Jens Sj\"olund, Thomas B. Sch\"on
Abstract: Given an unconditional diffusion model $\pi(x, y)$, using it to perform conditional simulation $\pi(x \mid y)$ is still largely an open question and is typically achieved by learning conditional drifts to the denoising SDE after the fact. In this work, we express conditional simulation as an inference problem on an augmented space corresponding to a partial SDE bridge. This perspective allows us to implement efficient and principled particle Gibbs and pseudo-marginal samplers marginally targeting the conditional distribution $\pi(x \mid y)$. Contrary to existing methodology, our methods do not introduce any additional approximation to the unconditional diffusion model aside from the Monte Carlo error. We showcase the benefits and drawbacks of our approach on a series of synthetic and real data examples.
Authors: Guy Ohayon, Michael Elad, Tomer Michaeli
Abstract: Fairness in image restoration tasks is the desire to treat different sub-groups of images equally well. Existing definitions of fairness in image restoration are highly restrictive. They consider a reconstruction to be a correct outcome for a group (e.g., women) only if it falls within the group's set of ground truth images (e.g., natural images of women); otherwise, it is considered entirely incorrect. Consequently, such definitions are prone to controversy, as errors in image restoration can manifest in various ways. In this work we offer an alternative approach towards fairness in image restoration, by considering the Group Perceptual Index (GPI), which we define as the statistical distance between the distribution of the group's ground truth images and the distribution of their reconstructions. We assess the fairness of an algorithm by comparing the GPI of different groups, and say that it achieves perfect Perceptual Fairness (PF) if the GPIs of all groups are identical. We motivate and theoretically study our new notion of fairness, draw its connection to previous ones, and demonstrate its utility on state-of-the-art face image super-resolution algorithms.
Authors: Arthur N. Montanari, Fran\c{c}ois Lamoline, Robert Bereza, Jorge Gon\c{c}alves
Abstract: Data-driven modeling of dynamical systems often faces numerous data-related challenges. A fundamental requirement is the existence of a unique set of parameters for a chosen model structure, an issue commonly referred to as identifiability. Although this problem is well studied for ordinary differential equations (ODEs), few studies have focused on the more general class of systems described by differential-algebraic equations (DAEs). Examples of DAEs include dynamical systems with algebraic equations representing conservation laws or approximating fast dynamics. This work introduces a novel identifiability test for models characterized by nonlinear DAEs. Unlike previous approaches, our test only requires prior knowledge of the system equations and does not need nonlinear transformation, index reduction, or numerical integration of the DAEs. We employed our identifiability analysis across a diverse range of DAE models, illustrating how system identifiability depends on the choices of sensors, experimental conditions, and model structures. Given the added challenges involved in identifying DAEs when compared to ODEs, we anticipate that our findings will have broad applicability and contribute significantly to the development and validation of data-driven methods for DAEs and other structure-preserving models.
Authors: Md Shahin Ali, Md Manjurul Ahsan, Lamia Tasnim, Sadia Afrin, Koushik Biswas, Md Maruf Hossain, Md Mahfuz Ahmed, Ronok Hashan, Md Khairul Islam, Shivakumar Raman
Abstract: Data privacy has become a major concern in healthcare due to the increasing digitization of medical records and data-driven medical research. Protecting sensitive patient information from breaches and unauthorized access is critical, as such incidents can have severe legal and ethical complications. Federated Learning (FL) addresses this concern by enabling multiple healthcare institutions to collaboratively learn from decentralized data without sharing it. FL's scope in healthcare covers areas such as disease prediction, treatment customization, and clinical trial research. However, implementing FL poses challenges, including model convergence in non-IID (independent and identically distributed) data environments, communication overhead, and managing multi-institutional collaborations. A systematic review of FL in healthcare is necessary to evaluate how effectively FL can provide privacy while maintaining the integrity and usability of medical data analysis. In this study, we analyze existing literature on FL applications in healthcare. We explore the current state of model security practices, identify prevalent challenges, and discuss practical applications and their implications. Additionally, the review highlights promising future research directions to refine FL implementations, enhance data security protocols, and expand FL's use to broader healthcare applications, which will benefit future researchers and practitioners.
Authors: Nathan Wycoff
Abstract: Regression trees have emerged as a preeminent tool for solving real-world regression problems due to their ability to deal with nonlinearities, interaction effects and sharp discontinuities. In this article, we rather study regression trees applied to well-behaved, differentiable functions, and determine the relationship between node parameters and the local gradient of the function being approximated. We find a simple estimate of the gradient which can be efficiently computed using quantities exposed by popular tree learning libraries. This allows the tools developed in the context of differentiable algorithms, like neural nets and Gaussian processes, to be deployed to tree-based models. To demonstrate this, we study measures of model sensitivity defined in terms of integrals of gradients and demonstrate how to compute them for regression trees using the proposed gradient estimates. Quantitative and qualitative numerical experiments reveal the capability of gradients estimated by regression trees to improve predictive analysis, solve tasks in uncertainty quantification, and provide interpretation of model behavior.
Authors: Giulio Ortali, Alessandro Gabbana, Imre Atmodimedjo, Alessandro Corbetta
Abstract: We present a new class of equivariant neural networks, hereby dubbed Lattice-Equivariant Neural Networks (LENNs), designed to satisfy local symmetries of a lattice structure. Our approach develops within a recently introduced framework aimed at learning neural network-based surrogate models Lattice Boltzmann collision operators. Whenever neural networks are employed to model physical systems, respecting symmetries and equivariance properties has been shown to be key for accuracy, numerical stability, and performance. Here, hinging on ideas from group representation theory, we define trainable layers whose algebraic structure is equivariant with respect to the symmetries of the lattice cell. Our method naturally allows for efficient implementations, both in terms of memory usage and computational costs, supporting scalable training/testing for lattices in two spatial dimensions and higher, as the size of symmetry group grows. We validate and test our approach considering 2D and 3D flowing dynamics, both in laminar and turbulent regimes. We compare with group averaged-based symmetric networks and with plain, non-symmetric, networks, showing how our approach unlocks the (a-posteriori) accuracy and training stability of the former models, and the train/inference speed of the latter networks (LENNs are about one order of magnitude faster than group-averaged networks in 3D). Our work opens towards practical utilization of machine learning-augmented Lattice Boltzmann CFD in real-world simulations.
Authors: Aditi Chandra, Marcelo O. Magnasco
Abstract: We examine the dynamical properties of a single-layer convolutional recurrent network with a smooth sigmoidal activation function, for small values of the inputs and when the convolution kernel is unitary, so all eigenvalues lie exactly at the unit circle. Such networks have a variety of hallmark properties: the outputs depend on the inputs via compressive nonlinearities such as cubic roots, and both the timescales of relaxation and the length-scales of signal propagation depend sensitively on the inputs as power laws, both diverging as the input to 0. The basic dynamical mechanism is that inputs to the network generate ongoing activity, which in turn controls how additional inputs or signals propagate spatially or attenuate in time. We present analytical solutions for the steady states when the network is forced with a single oscillation and when a background value creates a steady state of ongoing activity, and derive the relationships shaping the value of the temporal decay and spatial propagation length as a function of this background value.
Authors: Benjamin C. Lee, David Brooks, Arthur van Benthem, Udit Gupta, Gage Hills, Vincent Liu, Benjamin Pierce, Christopher Stewart, Emma Strubell, Gu-Yeon Wei, Adam Wierman, Yuan Yao, Minlan Yu
Abstract: Computing is at a moment of profound opportunity. Emerging applications -- such as capable artificial intelligence, immersive virtual realities, and pervasive sensor systems -- drive unprecedented demand for computer. Despite recent advances toward net zero carbon emissions, the computing industry's gross energy usage continues to rise at an alarming rate, outpacing the growth of new energy installations and renewable energy deployments. A shift towards sustainability is needed to spark a transformation in how computer systems are manufactured, allocated, and consumed. Carbon Connect envisions coordinated research thrusts that produce design and management strategies for sustainable, next-generation computer systems. These strategies must flatten and then reverse growth trajectories for computing power and carbon for society's most rapidly growing applications such as artificial intelligence and virtual spaces. We will require accurate models for carbon accounting in computing technology. For embodied carbon, we must re-think conventional design strategies -- over-provisioned monolithic servers, frequent hardware refresh cycles, custom silicon -- and adopt life-cycle design strategies that more effectively reduce, reuse and recycle hardware at scale. For operational carbon, we must not only embrace renewable energy but also design systems to use that energy more efficiently. Finally, new hardware design and management strategies must be cognizant of economic policy and regulatory landscape, aligning private initiatives with societal goals. Many of these broader goals will require computer scientists to develop deep, enduring collaborations with researchers in economics, law, and industrial ecology to spark change in broader practice.
Authors: Arko Banerjee, Kia Rahmani, Joydeep Biswas, Isil Dillig
Abstract: Among approaches for provably safe reinforcement learning, Model Predictive Shielding (MPS) has proven effective at complex tasks in continuous, high-dimensional state spaces, by leveraging a backup policy to ensure safety when the learned policy attempts to take risky actions. However, while MPS can ensure safety both during and after training, it often hinders task progress due to the conservative and task-oblivious nature of backup policies. This paper introduces Dynamic Model Predictive Shielding (DMPS), which optimizes reinforcement learning objectives while maintaining provable safety. DMPS employs a local planner to dynamically select safe recovery actions that maximize both short-term progress as well as long-term rewards. Crucially, the planner and the neural policy play a synergistic role in DMPS. When planning recovery actions for ensuring safety, the planner utilizes the neural policy to estimate long-term rewards, allowing it to observe beyond its short-term planning horizon. Conversely, the neural policy under training learns from the recovery plans proposed by the planner, converging to policies that are both high-performing and safe in practice. This approach guarantees safety during and after training, with bounded recovery regret that decreases exponentially with planning horizon depth. Experimental results demonstrate that DMPS converges to policies that rarely require shield interventions after training and achieve higher rewards compared to several state-of-the-art baselines.
Authors: Marco Bornstein, Amrit Singh Bedi, Abdirisak Mohamed, Furong Huang
Abstract: Standard federated learning (FL) approaches are vulnerable to the free-rider dilemma: participating agents can contribute little to nothing yet receive a well-trained aggregated model. While prior mechanisms attempt to solve the free-rider dilemma, none have addressed the issue of truthfulness. In practice, adversarial agents can provide false information to the server in order to cheat its way out of contributing to federated training. In an effort to make free-riding-averse federated mechanisms truthful, and consequently less prone to breaking down in practice, we propose FACT. FACT is the first federated mechanism that: (1) eliminates federated free riding by using a penalty system, (2) ensures agents provide truthful information by creating a competitive environment, and (3) encourages agent participation by offering better performance than training alone. Empirically, FACT avoids free-riding when agents are untruthful, and reduces agent loss by over 4x.
Authors: Nam Phuong Tran, The Anh Ta, Debmalya Mandal, Long Tran-Thanh
Abstract: High-dimensional linear bandits with low-dimensional structure have received considerable attention in recent studies due to their practical significance. The most common structure in the literature is sparsity. However, it may not be available in practice. Symmetry, where the reward is invariant under certain groups of transformations on the set of arms, is another important inductive bias in the high-dimensional case that covers many standard structures, including sparsity. In this work, we study high-dimensional symmetric linear bandits where the symmetry is hidden from the learner, and the correct symmetry needs to be learned in an online setting. We examine the structure of a collection of hidden symmetry and provide a method based on model selection within the collection of low-dimensional subspaces. Our algorithm achieves a regret bound of $ O(d_0^{1/3} T^{2/3} \log(d))$, where $d$ is the ambient dimension which is potentially very large, and $d_0$ is the dimension of the true low-dimensional subspace such that $d_0 \ll d$. With an extra assumption on well-separated models, we can further improve the regret to $ O(d_0\sqrt{T\log(d)} )$.
Authors: Hongyi Pan, Emadeldeen Hamdan, Xin Zhu, Koushik Biswas, Ahmet Cetin, Ulas Bagci
Abstract: Central to the Transformer architectures' effectiveness is the self-attention mechanism, a function that maps queries, keys, and values into a high-dimensional vector space. However, training the attention weights of queries, keys, and values is non-trivial from a state of random initialization. In this paper, we propose two methods. (i) We first address the initialization problem of Vision Transformers by introducing a simple, yet highly innovative, initialization approach utilizing Discrete Cosine Transform (DCT) coefficients. Our proposed DCT-based attention initialization marks a significant gain compared to traditional initialization strategies; offering a robust foundation for the attention mechanism. Our experiments reveal that the DCT-based initialization enhances the accuracy of Vision Transformers in classification tasks. (ii) We also recognize that since DCT effectively decorrelates image information in the frequency domain, this decorrelation is useful for compression because it allows the quantization step to discard many of the higher-frequency components. Based on this observation, we propose a novel DCT-based compression technique for the attention function of Vision Transformers. Since high-frequency DCT coefficients usually correspond to noise, we truncate the high-frequency DCT components of the input patches. Our DCT-based compression reduces the size of weight matrices for queries, keys, and values. While maintaining the same level of accuracy, our DCT compressed Swin Transformers obtain a considerable decrease in the computational overhead.
Authors: Yihan Zhang, Marco Mondelli
Abstract: We study the matrix denoising problem of estimating the singular vectors of a rank-$1$ signal corrupted by noise with both column and row correlations. Existing works are either unable to pinpoint the exact asymptotic estimation error or, when they do so, the resulting approaches (e.g., based on whitening or singular value shrinkage) remain vastly suboptimal. On top of this, most of the literature has focused on the special case of estimating the left singular vector of the signal when the noise only possesses row correlation (one-sided heteroscedasticity). In contrast, our work establishes the information-theoretic and algorithmic limits of matrix denoising with doubly heteroscedastic noise. We characterize the exact asymptotic minimum mean square error, and design a novel spectral estimator with rigorous optimality guarantees: under a technical condition, it attains positive correlation with the signals whenever information-theoretically possible and, for one-sided heteroscedasticity, it also achieves the Bayes-optimal error. Numerical experiments demonstrate the significant advantage of our theoretically principled method with the state of the art. The proofs draw connections with statistical physics and approximate message passing, departing drastically from standard random matrix theory techniques.
Authors: Fran\c{c}ois Bachoc, Nicol\`o Cesa-Bianchi, Tommaso Cesari, Roberto Colomboni
Abstract: In online bilateral trade, a platform posts prices to incoming pairs of buyers and sellers that have private valuations for a certain good. If the price is lower than the buyers' valuation and higher than the sellers' valuation, then a trade takes place. Previous work focused on the platform perspective, with the goal of setting prices maximizing the gain from trade (the sum of sellers' and buyers' utilities). Gain from trade is, however, potentially unfair to traders, as they may receive highly uneven shares of the total utility. In this work we enforce fairness by rewarding the platform with the fair gain from trade, defined as the minimum between sellers' and buyers' utilities. After showing that any no-regret learning algorithm designed to maximize the sum of the utilities may fail badly with fair gain from trade, we present our main contribution: a complete characterization of the regret regimes for fair gain from trade when, after each interaction, the platform only learns whether each trader accepted the current price. Specifically, we prove the following regret bounds: $\Theta(\ln T)$ in the deterministic setting, $\Omega(T)$ in the stochastic setting, and $\tilde{\Theta}(T^{2/3})$ in the stochastic setting when sellers' and buyers' valuations are independent of each other. We conclude by providing tight regret bounds when, after each interaction, the platform is allowed to observe the true traders' valuations.
Authors: Efe Y. Yarbasi, Dimitri N. Mavris
Abstract: Complex engineering systems require integration of simulation of sub-systems and calculation of metrics to drive design decisions. This paper introduces a methodology for designing computational or physical experiments for system-level uncertainty mitigation purposes. The methodology follows a previously determined problem ontology, where physical, functional and modeling architectures are decided upon. By carrying out sensitivity analysis techniques utilizing system-level tools, critical epistemic uncertainties can be identified. Afterwards, a framework is introduced to design specific computational and physical experimentation for generating new knowledge about parameters, and for uncertainty mitigation. The methodology is demonstrated through a case study on an early-stage design Blended-Wing-Body (BWB) aircraft concept, showcasing how aerostructures analyses can be leveraged for mitigating system-level uncertainty, by computer experiments or guiding physical experimentation. The proposed methodology is versatile enough to tackle uncertainty management across various design challenges, highlighting the potential for more risk-informed design processes.
Authors: Daniel Grier, Hakop Pashayan, Luke Schaeffer
Abstract: Given many copies of an unknown quantum state $\rho$, we consider the task of learning a classical description of its principal eigenstate. Namely, assuming that $\rho$ has an eigenstate $|\phi\rangle$ with (unknown) eigenvalue $\lambda > 1/2$, the goal is to learn a (classical shadows style) classical description of $|\phi\rangle$ which can later be used to estimate expectation values $\langle \phi |O| \phi \rangle$ for any $O$ in some class of observables. We consider the sample-complexity setting in which generating a copy of $\rho$ is expensive, but joint measurements on many copies of the state are possible. We present a protocol for this task scaling with the principal eigenvalue $\lambda$ and show that it is optimal within a space of natural approaches, e.g., applying quantum state purification followed by a single-copy classical shadows scheme. Furthermore, when $\lambda$ is sufficiently close to $1$, the performance of our algorithm is optimal--matching the sample complexity for pure state classical shadows.
Authors: Andrea Serani, Matteo Diez
Abstract: The rapidly evolving field of engineering design of functional surfaces necessitates sophisticated tools to manage the inherent complexity of high-dimensional design spaces. This review delves into the field of design-space dimensionality reduction techniques tailored for shape optimization, bridging traditional methods and cutting-edge technologies. Dissecting the spectrum of these techniques, from classical linear approaches like principal component analysis to more nuanced nonlinear methods such as autoencoders, the discussion extends to innovative physics-informed methods that integrate physical data into the dimensionality reduction process, enhancing the predictive accuracy and relevance of reduced models. By integrating these methods into optimization frameworks, it is shown how they significantly mitigate the curse of dimensionality, streamline computational processes, and refine the exploration and optimization of complex functional surfaces. The survey provides a classification of method and highlights the transformative impact of these techniques in simplifying design challenges, thereby fostering more efficient and effective engineering solutions.
Authors: Ivan Gvozdanovi\'c, Sonja Petrovi\'c
Abstract: We propose an actor-critic algorithm for a family of complex problems arising in algebraic statistics and discrete optimization. The core task is to produce a sample from a finite subset of the non-negative integer lattice defined by a high-dimensional polytope. We translate the problem into a Markov decision process and devise an actor-critic reinforcement learning (RL) algorithm to learn a set of good moves that can be used for sampling. We prove that the actor-critic algorithm converges to an approximately optimal sampling policy. To tackle complexity issues that typically arise in these sampling problems, and to allow the RL to function at scale, our solution strategy takes three steps: decomposing the starting point of the sample, using RL on each induced subproblem, and reconstructing to obtain a sample in the original polytope. In this setup, the proof of convergence applies to each subproblem in the decomposition. We test the method in two regimes. In statistical applications, a high-dimensional polytope arises as the support set for the reference distribution in a model/data fit test for a broad family of statistical models for categorical data. We demonstrate how RL can be used for model fit testing problems for data sets for which traditional MCMC samplers converge too slowly due to problem size and sparsity structure. To test the robustness of the algorithm and explore its generalization properties, we apply it to synthetically generated data of various sizes and sparsity levels.
Authors: Md Ashfaq Salehin
Abstract: In this work, an advanced deep reinforcement learning architecture is used to train neural network agents playing atari games. Given only the raw game pixels, action space, and reward information, the system can train agents to play any Atari game. At first, this system uses advanced techniques like deep Q-networks and dueling Q-networks to train efficient agents, the same techniques used by DeepMind to train agents that beat human players in Atari games. As an extension, plastic neural networks are used as agents, and their feasibility is analyzed in this scenario. The plasticity implementation was based on backpropagation and the Hebbian update rule. Plastic neural networks have excellent features like lifelong learning after the initial training, which makes them highly suitable in adaptive learning environments. As a new analysis of plasticity in this context, this work might provide valuable insights and direction for future works.
Authors: Ziyu Chen, Hyemin Gu, Markos A. Katsoulakis, Luc Rey-Bellet, Wei Zhu
Abstract: In this paper, we propose Wasserstein proximals of $\alpha$-divergences as suitable objective functionals for learning heavy-tailed distributions in a stable manner. First, we provide sufficient, and in some cases necessary, relations among data dimension, $\alpha$, and the decay rate of data distributions for the Wasserstein-proximal-regularized divergence to be finite. Finite-sample convergence rates for the estimation in the case of the Wasserstein-1 proximal divergences are then provided under certain tail conditions. Numerical experiments demonstrate stable learning of heavy-tailed distributions -- even those without first or second moment -- without any explicit knowledge of the tail behavior, using suitable generative models such as GANs and flow-based models related to our proposed Wasserstein-proximal-regularized $\alpha$-divergences. Heuristically, $\alpha$-divergences handle the heavy tails and Wasserstein proximals allow non-absolute continuity between distributions and control the velocities of flow-based algorithms as they learn the target distribution deep into the tails.
Authors: Mahsa Golchoubian, Moojan Ghafurian, Kerstin Dautenhahn, Nasser Lashgarian Azad
Abstract: Safe, socially compliant, and efficient navigation of low-speed autonomous vehicles (AVs) in pedestrian-rich environments necessitates considering pedestrians' future positions and interactions with the vehicle and others. Despite the inevitable uncertainties associated with pedestrians' predicted trajectories due to their unobserved states (e.g., intent), existing deep reinforcement learning (DRL) algorithms for crowd navigation often neglect these uncertainties when using predicted trajectories to guide policy learning. This omission limits the usability of predictions when diverging from ground truth. This work introduces an integrated prediction and planning approach that incorporates the uncertainties of predicted pedestrian states in the training of a model-free DRL algorithm. A novel reward function encourages the AV to respect pedestrians' personal space, decrease speed during close approaches, and minimize the collision probability with their predicted paths. Unlike previous DRL methods, our model, designed for AV operation in crowded spaces, is trained in a novel simulation environment that reflects realistic pedestrian behaviour in a shared space with vehicles. Results show a 40% decrease in collision rate and a 15% increase in minimum distance to pedestrians compared to the state of the art model that does not account for prediction uncertainty. Additionally, the approach outperforms model predictive control methods that incorporate the same prediction uncertainties in terms of both performance and computational time, while producing trajectories closer to human drivers in similar scenarios.
Authors: Lars Graf, Zhe Su, Giacomo Indiveri
Abstract: The drive to develop artificial neural networks that efficiently utilize resources has generated significant interest in bio-inspired Spiking Neural Networks (SNNs). These networks are particularly attractive due to their potential in applications requiring low power and memory. This potential is further enhanced by the ability to perform online local learning, enabling them to adapt to dynamic environments. This requires the model to be adaptive in a self-supervised manner. While self-supervised learning has seen great success in many deep learning domains, its application for online local learning in multi-layer SNNs remains underexplored. In this paper, we introduce the "EchoSpike Predictive Plasticity" (ESPP) learning rule, a pioneering online local learning rule designed to leverage hierarchical temporal dynamics in SNNs through predictive and contrastive coding. We validate the effectiveness of this approach using benchmark datasets, demonstrating that it performs on par with current state-of-the-art supervised learning rules. The temporal and spatial locality of ESPP makes it particularly well-suited for low-cost neuromorphic processors, representing a significant advancement in developing biologically plausible self-supervised learning models for neuromorphic computing at the edge.
Authors: Hongyu Cheng, Amitabh Basu
Abstract: The branch-and-cut algorithm is the method of choice to solve large scale integer programming problems in practice. A key ingredient of branch-and-cut is the use of cutting planes which are derived constraints that reduce the search space for an optimal solution. Selecting effective cutting planes to produce small branch-and-cut trees is a critical challenge in the branch-and-cut algorithm. Recent advances have employed a data-driven approach to select optimal cutting planes from a parameterized family, aimed at reducing the branch-and-bound tree size (in expectation) for a given distribution of integer programming instances. We extend this idea to the selection of the best cut generating function (CGF), which is a tool in the integer programming literature for generating a wide variety of cutting planes that generalize the well-known Gomory Mixed-Integer (GMI) cutting planes. We provide rigorous sample complexity bounds for the selection of an effective CGF from certain parameterized families that provably performs well for any specified distribution on the problem instances. Our empirical results show that the selected CGF can outperform the GMI cuts for certain distributions. Additionally, we explore the sample complexity of using neural networks for instance-dependent CGF selection.
Authors: Chenying Liu, Hunsoo Song, Anamika Shreevastava, Conrad M Albrecht
Abstract: Local climate zones (LCZs) established a standard classification system to categorize the landscape universe for improved urban climate studies. Existing LCZ mapping is guided by human interaction with geographic information systems (GIS) or modelled from remote sensing (RS) data. GIS-based methods do not scale to large areas. However, RS-based methods leverage machine learning techniques to automatize LCZ classification from RS. Yet, RS-based methods require huge amounts of manual labels for training. We propose a novel LCZ mapping framework, termed AutoLCZ, to extract the LCZ classification features from high-resolution RS modalities. We study the definition of numerical rules designed to mimic the LCZ definitions. Those rules model geometric and surface cover properties from LiDAR data. Correspondingly, we enable LCZ classification from RS data in a GIS-based scheme. The proposed AutoLCZ method has potential to reduce the human labor to acquire accurate metadata. At the same time, AutoLCZ sheds light on the physical interpretability of RS-based methods. In a proof-of-concept for New York City (NYC) we leverage airborne LiDAR surveys to model 4 LCZ features to distinguish 10 LCZ types. The results indicate the potential of AutoLCZ as promising avenue for large-scale LCZ mapping from RS data.
Authors: Huy Nguyen, Nhat Ho, Alessandro Rinaldo
Abstract: The softmax gating function is arguably the most popular choice in mixture of experts modeling. Despite its widespread use in practice, softmax gating may lead to unnecessary competition among experts, potentially causing the undesirable phenomenon of representation collapse due to its inherent structure. In response, the sigmoid gating function has been recently proposed as an alternative and has been demonstrated empirically to achieve superior performance. However, a rigorous examination of the sigmoid gating function is lacking in current literature. In this paper, we verify theoretically that sigmoid gating, in fact, enjoys a higher sample efficiency than softmax gating for the statistical task of expert estimation. Towards that goal, we consider a regression framework in which the unknown regression function is modeled as a mixture of experts, and study the rates of convergence of the least squares estimator in the over-specified case in which the number of experts fitted is larger than the true value. We show that two gating regimes naturally arise and, in each of them, we formulate identifiability conditions for the expert functions and derive the corresponding convergence rates. In both cases, we find that experts formulated as feed-forward networks with commonly used activation such as $\mathrm{ReLU}$ and $\mathrm{GELU}$ enjoy faster convergence rates under sigmoid gating than softmax gating. Furthermore, given the same choice of experts, we demonstrate that the sigmoid gating function requires a smaller sample size than its softmax counterpart to attain the same error of expert estimation and, therefore, is more sample efficient.
Authors: Swapnil Gandhi, Mark Zhao, Athinagoras Skiadopoulos, Christos Kozyrakis
Abstract: Training large Deep Neural Network (DNN) models requires thousands of GPUs for days or weeks at a time. At these scales, failures are frequent and can have a big impact on training throughput. Restoring performance using spare GPU servers becomes increasingly expensive as models grow. SlipStream is a system for efficient DNN training in the presence of failures, without using spare servers. It exploits the functional redundancy inherent in distributed training systems -- servers hold the same model parameters across data-parallel groups -- as well as the bubbles in the pipeline schedule within each data-parallel group. SlipStream dynamically re-routes the work of a failed server to its data-parallel peers, ensuring continuous training despite multiple failures. However, re-routing work leads to imbalances across pipeline stages that degrades training throughput. SlipStream introduces two optimizations that allow re-routed work to execute within bubbles of the original pipeline schedule. First, it decouples the backward pass computation into two phases. Second, it staggers the execution of the optimizer step across pipeline stages. Combined, these optimizations enable schedules that minimize or even eliminate training throughput degradation during failures. We describe a prototype for SlipStream and show that it achieves high training throughput under multiple failures, outperforming recent proposals for fault-tolerant training such as Oobleck and Bamboo by up to 1.46x and 1.64x, respectively.
Authors: Fangqiang Ding, Xiangyu Wen, Yunzhou Zhu, Yiming Li, Chris Xiaoxuan Lu
Abstract: 3D occupancy-based perception pipeline has significantly advanced autonomous driving by capturing detailed scene descriptions and demonstrating strong generalizability across various object categories and shapes. Current methods predominantly rely on LiDAR or camera inputs for 3D occupancy prediction. These methods are susceptible to adverse weather conditions, limiting the all-weather deployment of self-driving cars. To improve perception robustness, we leverage the recent advances in automotive radars and introduce a novel approach that utilizes 4D imaging radar sensors for 3D occupancy prediction. Our method, RadarOcc, circumvents the limitations of sparse radar point clouds by directly processing the 4D radar tensor, thus preserving essential scene details. RadarOcc innovatively addresses the challenges associated with the voluminous and noisy 4D radar data by employing Doppler bins descriptors, sidelobe-aware spatial sparsification, and range-wise self-attention mechanisms. To minimize the interpolation errors associated with direct coordinate transformations, we also devise a spherical-based feature encoding followed by spherical-to-Cartesian feature aggregation. We benchmark various baseline methods based on distinct modalities on the public K-Radar dataset. The results demonstrate RadarOcc's state-of-the-art performance in radar-based 3D occupancy prediction and promising results even when compared with LiDAR- or camera-based methods. Additionally, we present qualitative evidence of the superior performance of 4D radar in adverse weather conditions and explore the impact of key pipeline components through ablation studies.
Authors: Sunrit Chakraborty, Saptarshi Roy, Debabrota Basu
Abstract: High dimensional sparse linear bandits serve as an efficient model for sequential decision-making problems (e.g. personalized medicine), where high dimensional features (e.g. genomic data) on the users are available, but only a small subset of them are relevant. Motivated by data privacy concerns in these applications, we study the joint differentially private high dimensional sparse linear bandits, where both rewards and contexts are considered as private data. First, to quantify the cost of privacy, we derive a lower bound on the regret achievable in this setting. To further address the problem, we design a computationally efficient bandit algorithm, \textbf{F}orgetfu\textbf{L} \textbf{I}terative \textbf{P}rivate \textbf{HA}rd \textbf{T}hresholding (FLIPHAT). Along with doubling of episodes and episodic forgetting, FLIPHAT deploys a variant of Noisy Iterative Hard Thresholding (N-IHT) algorithm as a sparse linear regression oracle to ensure both privacy and regret-optimality. We show that FLIPHAT achieves optimal regret up to logarithmic factors. We analyze the regret by providing a novel refined analysis of the estimation error of N-IHT, which is of parallel interest.
Authors: Yiming Wang, Pei Zhang, Baosong Yang, Derek F. Wong, Zhuosheng Zhang, Rui Wang
Abstract: Real-world data deviating from the independent and identically distributed (i.i.d.) assumption of in-distribution training data poses security threats to deep networks, thus advancing out-of-distribution (OOD) detection algorithms. Detection methods in generative language models (GLMs) mainly focus on uncertainty estimation and embedding distance measurement, with the latter proven to be most effective in traditional linguistic tasks like summarization and translation. However, another complex generative scenario mathematical reasoning poses significant challenges to embedding-based methods due to its high-density feature of output spaces, but this feature causes larger discrepancies in the embedding shift trajectory between different samples in latent spaces. Hence, we propose a trajectory-based method TV score, which uses trajectory volatility for OOD detection in mathematical reasoning. Experiments show that our method outperforms all traditional algorithms on GLMs under mathematical reasoning scenarios and can be extended to more applications with high-density features in output spaces, such as multiple-choice questions.
Authors: Udayan Mandal, Guy Amir, Haoze Wu, Ieva Daukantas, Fletcher Lee Newell, Umberto J. Ravaioli, Baoluo Meng, Michael Durling, Milan Ganai, Tobey Shim, Guy Katz, Clark Barrett
Abstract: Deep reinforcement learning (DRL) is a powerful machine learning paradigm for generating agents that control autonomous systems. However, the "black box" nature of DRL agents limits their deployment in real-world safety-critical applications. A promising approach for providing strong guarantees on an agent's behavior is to use Neural Lyapunov Barrier (NLB) certificates, which are learned functions over the system whose properties indirectly imply that an agent behaves as desired. However, NLB-based certificates are typically difficult to learn and even more difficult to verify, especially for complex systems. In this work, we present a novel method for training and verifying NLB-based certificates for discrete-time systems. Specifically, we introduce a technique for certificate composition, which simplifies the verification of highly-complex systems by strategically designing a sequence of certificates. When jointly verified with neural network verification engines, these certificates provide a formal guarantee that a DRL agent both achieves its goals and avoids unsafe behavior. Furthermore, we introduce a technique for certificate filtering, which significantly simplifies the process of producing formally verified certificates. We demonstrate the merits of our approach with a case study on providing safety and liveness guarantees for a DRL-controlled spacecraft.
Authors: Tian Yu Liu, Stefano Soatto, Matteo Marchi, Pratik Chaudhari, Paulo Tabuada
Abstract: We tackle the question of whether Large Language Models (LLMs), viewed as dynamical systems with state evolving in the embedding space of symbolic tokens, are observable. That is, whether there exist multiple 'mental' state trajectories that yield the same sequence of generated tokens, or sequences that belong to the same Nerode equivalence class ('meaning'). If not observable, mental state trajectories ('experiences') evoked by an input ('perception') or by feedback from the model's own state ('thoughts') could remain self-contained and evolve unbeknown to the user while being potentially accessible to the model provider. Such "self-contained experiences evoked by perception or thought" are akin to what the American Psychological Association (APA) defines as 'feelings'. Beyond the lexical curiosity, we show that current LLMs implemented by autoregressive Transformers cannot have 'feelings' according to this definition: The set of state trajectories indistinguishable from the tokenized output is a singleton. But if there are 'system prompts' not visible to the user, then the set of indistinguishable trajectories becomes non-trivial, and there can be multiple state trajectories that yield the same verbalized output. We prove these claims analytically, and show examples of modifications to standard LLMs that engender such 'feelings.' Our analysis sheds light on possible designs that would enable a model to perform non-trivial computation that is not visible to the user, as well as on controls that the provider of services using the model could take to prevent unintended behavior.
Authors: Jiawei Zhang, Chejian Xu, Bo Li
Abstract: We present ChatScene, a Large Language Model (LLM)-based agent that leverages the capabilities of LLMs to generate safety-critical scenarios for autonomous vehicles. Given unstructured language instructions, the agent first generates textually described traffic scenarios using LLMs. These scenario descriptions are subsequently broken down into several sub-descriptions for specified details such as behaviors and locations of vehicles. The agent then distinctively transforms the textually described sub-scenarios into domain-specific languages, which then generate actual code for prediction and control in simulators, facilitating the creation of diverse and complex scenarios within the CARLA simulation environment. A key part of our agent is a comprehensive knowledge retrieval component, which efficiently translates specific textual descriptions into corresponding domain-specific code snippets by training a knowledge database containing the scenario description and code pairs. Extensive experimental results underscore the efficacy of ChatScene in improving the safety of autonomous vehicles. For instance, the scenarios generated by ChatScene show a 15% increase in collision rates compared to state-of-the-art baselines when tested against different reinforcement learning-based ego vehicles. Furthermore, we show that by using our generated safety-critical scenarios to fine-tune different RL-based autonomous driving models, they can achieve a 9% reduction in collision rates, surpassing current SOTA methods. ChatScene effectively bridges the gap between textual descriptions of traffic scenarios and practical CARLA simulations, providing a unified way to conveniently generate safety-critical scenarios for safety testing and improvement for AVs.
Authors: Jake A. Soloff, Rina Foygel Barber, Rebecca Willett
Abstract: We propose a new framework for algorithmic stability in the context of multiclass classification. In practice, classification algorithms often operate by first assigning a continuous score (for instance, an estimated probability) to each possible label, then taking the maximizer -- i.e., selecting the class that has the highest score. A drawback of this type of approach is that it is inherently unstable, meaning that it is very sensitive to slight perturbations of the training data, since taking the maximizer is discontinuous. Motivated by this challenge, we propose a pipeline for constructing stable classifiers from data, using bagging (i.e., resampling and averaging) to produce stable continuous scores, and then using a stable relaxation of argmax, which we call the "inflated argmax," to convert these scores to a set of candidate labels. The resulting stability guarantee places no distributional assumptions on the data, does not depend on the number of classes or dimensionality of the covariates, and holds for any base classifier. Using a common benchmark data set, we demonstrate that the inflated argmax provides necessary protection against unstable classifiers, without loss of accuracy.
Authors: Chengkun Cai, Xu Zhao, Yucheng Du, Haoliang Liu, Lei Li
Abstract: Large Language Models (LLMs) have emerged as powerful tools in artificial intelligence, especially in complex decision-making scenarios, but their static problem-solving strategies often limit their adaptability to dynamic environments. We explore the enhancement of reasoning capabilities in LLMs through Temperature Tree ($T^2$) prompting via Particle Swarm Optimization, termed as $T^2$ of Thoughts ($T^2oT$). The primary focus is on enhancing decision-making processes by dynamically adjusting search parameters, especially temperature, to improve accuracy without increasing computational demands. We empirically validate that our hybrid $T^2oT$ approach yields enhancements in, single-solution accuracy, multi-solution generation and text generation quality. Our findings suggest that while dynamic search depth adjustments based on temperature can yield mixed results, a fixed search depth, when coupled with adaptive capabilities of $T^2oT$, provides a more reliable and versatile problem-solving strategy. This work highlights the potential for future explorations in optimizing algorithmic interactions with foundational language models, particularly illustrated by our development for the Game of 24 and Creative Writing tasks.
Authors: Han-Dong Lim, Donghwan Lee
Abstract: Multi-agent reinforcement learning (MARL) has witnessed a remarkable surge in interest, fueled by the empirical success achieved in applications of single-agent reinforcement learning (RL). In this study, we consider a distributed Q-learning scenario, wherein a number of agents cooperatively solve a sequential decision making problem without access to the central reward function which is an average of the local rewards. In particular, we study finite-time analysis of a distributed Q-learning algorithm, and provide a new sample complexity result of $\tilde{\mathcal{O}}\left( \min\left\{\frac{1}{\epsilon^2}\frac{t_{\text{mix}}}{(1-\gamma)^6 d_{\min}^4 } ,\frac{1}{\epsilon}\frac{\sqrt{|\gS||\gA|}}{(1-\sigma_2(\boldsymbol{W}))(1-\gamma)^4 d_{\min}^3} \right\}\right)$ under tabular lookup
Authors: Zakaria Patel, Kirill Serkh
Abstract: Diffusion models are a powerful class of generative models capable of producing high-quality images from pure noise. In particular, conditional diffusion models allow one to specify the contents of the desired image using a simple text prompt. Conditioning on a text prompt alone, however, does not allow for fine-grained control over the composition and layout of the final image, which instead depends closely on the initial noise distribution. While most methods which introduce spatial constraints (e.g., bounding boxes) require fine-tuning, a smaller and more recent subset of these methods are training-free. They are applicable whenever the prompt influences the model through an attention mechanism, and generally fall into one of two categories. The first entails modifying the cross-attention maps of specific tokens directly to enhance the signal in certain regions of the image. The second works by defining a loss function over the cross-attention maps, and using the gradient of this loss to guide the latent. While previous work explores these as alternative strategies, we provide an interpretation for these methods which highlights their complimentary features, and demonstrate that it is possible to obtain superior performance when both methods are used in concert.
Authors: Nadav Timor, Jonathan Mamou, Daniel Korat, Moshe Berchansky, Oren Pereg, Moshe Wasserblat, Tomer Galanti, Michal Gordon, David Harel
Abstract: Accelerating the inference of large language models (LLMs) is an important challenge in artificial intelligence. This paper introduces distributed speculative inference (DSI), a novel distributed inference algorithm that is provably faster than speculative inference (SI) [leviathan2023fast, chen2023accelerating, miao2023specinfer] and traditional autoregressive inference (non-SI). Like other SI algorithms, DSI works on frozen LLMs, requiring no training or architectural modifications, and it preserves the target distribution. Prior studies on SI have demonstrated empirical speedups (compared to non-SI) but require a fast and accurate drafter LLM. In practice, off-the-shelf LLMs often do not have matching drafters that are sufficiently fast and accurate. We show a gap: SI gets slower than non-SI when using slower or less accurate drafters. We close this gap by proving that DSI is faster than both SI and non-SI given any drafters. By orchestrating multiple instances of the target and drafters, DSI is not only faster than SI but also supports LLMs that cannot be accelerated with SI. Our simulations show speedups of off-the-shelf LLMs in realistic settings: DSI is 1.29-1.92x faster than SI.
Authors: Meenatchi Sundaram Muthu Selva Annamalai, Emiliano De Cristofaro
Abstract: This paper presents a nearly tight audit of the Differentially Private Stochastic Gradient Descent (DP-SGD) algorithm in the black-box model. Our auditing procedure empirically estimates the privacy leakage from DP-SGD using membership inference attacks; unlike prior work, the estimates are appreciably close to the theoretical DP bounds. The main intuition is to craft worst-case initial model parameters, as DP-SGD's privacy analysis is agnostic to the choice of the initial model parameters. For models trained with theoretical $\varepsilon=10.0$ on MNIST and CIFAR-10, our auditing procedure yields empirical estimates of $7.21$ and $6.95$, respectively, on 1,000-record samples and $6.48$ and $4.96$ on the full datasets. By contrast, previous work achieved tight audits only in stronger (i.e., less realistic) white-box models that allow the adversary to access the model's inner parameters and insert arbitrary gradients. Our auditing procedure can be used to detect bugs and DP violations more easily and offers valuable insight into how the privacy analysis of DP-SGD can be further improved.
Authors: Bum Jun Kim, Sang Woo Kim
Abstract: Vision transformers (ViTs) have demonstrated remarkable performance in a variety of vision tasks. Despite their promising capabilities, training a ViT requires a large amount of diverse data. Several studies empirically found that using rich data augmentations, such as Mixup, Cutmix, and random erasing, is critical to the successful training of ViTs. Now, the use of rich data augmentations has become a standard practice in the current state. However, we report a vulnerability to this practice: Certain data augmentations such as Mixup cause a variance shift in the positional embedding of ViT, which has been a hidden factor that degrades the performance of ViT during the test phase. We claim that achieving a stable effect from positional embedding requires a specific condition on the image, which is often broken for the current data augmentation methods. We provide a detailed analysis of this problem as well as the correct configuration for these data augmentations to remove the side effects of variance shift. Experiments showed that adopting our guidelines improves the performance of ViTs compared with the current configuration of data augmentations.
Authors: Xiyuan Zhao, Huijun Li, Tianyuan Miao, Xianyi Zhu, Zhikai Wei, Aiguo Song
Abstract: The rapid development of collaborative robotics has provided a new possibility of helping the elderly who has difficulties in daily life, allowing robots to operate according to specific intentions. However, efficient human-robot cooperation requires natural, accurate and reliable intention recognition in shared environments. The current paramount challenge for this is reducing the uncertainty of multimodal fused intention to be recognized and reasoning adaptively a more reliable result despite current interactive condition. In this work we propose a novel learning-based multimodal fusion framework Batch Multimodal Confidence Learning for Opinion Pool (BMCLOP). Our approach combines Bayesian multimodal fusion method and batch confidence learning algorithm to improve accuracy, uncertainty reduction and success rate given the interactive condition. In particular, the generic and practical multimodal intention recognition framework can be easily extended further. Our desired assistive scenarios consider three modalities gestures, speech and gaze, all of which produce categorical distributions over all the finite intentions. The proposed method is validated with a six-DoF robot through extensive experiments and exhibits high performance compared to baselines.
Authors: Nikhilanj Pelluri
Abstract: Visual perception and navigation have emerged as major focus areas in the field of embodied artificial intelligence. We consider the task of image-goal navigation, where an agent is tasked to navigate to a goal specified by an image, relying only on images from an onboard camera. This task is particularly challenging since it demands robust scene understanding, goal-oriented planning and long-horizon navigation. Most existing approaches typically learn navigation policies reliant on recurrent neural networks trained via online reinforcement learning. However, training such policies requires substantial computational resources and time, and performance of these models is not reliable on long-horizon navigation. In this work, we present a generative Transformer based model that jointly models image goals, camera observations and the robot's past actions to predict future actions. We use state-of-the-art perception models and navigation policies to learn robust goal conditioned policies without the need for real-time interaction with the environment. Our model demonstrates capability in capturing and associating visual information across long time horizons, helping in effective navigation.
Authors: Huy Nguyen, Pedram Akbarian, Trang Pham, Trang Nguyen, Shujian Zhang, Nhat Ho
Abstract: The cosine router in sparse Mixture of Experts (MoE) has recently emerged as an attractive alternative to the conventional linear router. Indeed, the cosine router demonstrates favorable performance in image and language tasks and exhibits better ability to mitigate the representation collapse issue, which often leads to parameter redundancy and limited representation potentials. Despite its empirical success, a comprehensive analysis of the cosine router in sparse MoE has been lacking. Considering the least square estimation of the cosine routing sparse MoE, we demonstrate that due to the intrinsic interaction of the model parameters in the cosine router via some partial differential equations, regardless of the structures of the experts, the estimation rates of experts and model parameters can be as slow as $\mathcal{O}(1/\log^{\tau}(n))$ where $\tau > 0$ is some constant and $n$ is the sample size. Surprisingly, these pessimistic non-polynomial convergence rates can be circumvented by the widely used technique in practice to stabilize the cosine router -- simply adding noises to the $\mathbb{L}_{2}$ norms in the cosine router, which we refer to as \textit{perturbed cosine router}. Under the strongly identifiable settings of the expert functions, we prove that the estimation rates for both the experts and model parameters under the perturbed cosine routing sparse MoE are significantly improved to polynomial rates. Finally, we conduct extensive simulation studies in both synthetic and real data settings to empirically validate our theoretical results.
Authors: Xinhao Fan, Shreesh P Mysore
Abstract: Backpropagation (BP) has been pivotal in advancing machine learning and remains essential in computational applications and comparative studies of biological and artificial neural networks. Despite its widespread use, the implementation of BP in the brain remains elusive, and its biological plausibility is often questioned due to inherent issues such as the need for symmetry of weights between forward and backward connections, and the requirement of distinct forward and backward phases of computation. Here, we introduce a novel neuroplasticity rule that offers a potential mechanism for implementing BP in the brain. Similar in general form to the classical Hebbian rule, this rule is based on the core principles of maintaining the balance of excitatory and inhibitory inputs as well as on retrograde signaling, and operates over three progressively slower timescales: neural firing, retrograde signaling, and neural plasticity. We hypothesize that each neuron possesses an internal state, termed credit, in addition to its firing rate. After achieving equilibrium in firing rates, neurons receive credits based on their contribution to the E-I balance of postsynaptic neurons through retrograde signaling. As the network's credit distribution stabilizes, connections from those presynaptic neurons are strengthened that significantly contribute to the balance of postsynaptic neurons. We demonstrate mathematically that our learning rule precisely replicates BP in layered neural networks without any approximations. Simulations on artificial neural networks reveal that this rule induces varying community structures in networks, depending on the learning rate. This simple theoretical framework presents a biologically plausible implementation of BP, with testable assumptions and predictions that may be evaluated through biological experiments.
Authors: Yuchen Hu, Chen Chen, Chao-Han Huck Yang, Chengwei Qin, Pin-Yu Chen, Eng Siong Chng, Chao Zhang
Abstract: We propose an unsupervised adaptation framework, Self-TAught Recognizer (STAR), which leverages unlabeled data to enhance the robustness of automatic speech recognition (ASR) systems in diverse target domains, such as noise and accents. STAR is developed for prevalent speech foundation models based on Transformer-related architecture with auto-regressive decoding (e.g., Whisper, Canary). Specifically, we propose a novel indicator that empirically integrates step-wise information during decoding to assess the token-level quality of pseudo labels without ground truth, thereby guiding model updates for effective unsupervised adaptation. Experimental results show that STAR achieves an average of 13.5% relative reduction in word error rate across 14 target domains, and it sometimes even approaches the upper-bound performance of supervised adaptation. Surprisingly, we also observe that STAR prevents the adapted model from the common catastrophic forgetting problem without recalling source-domain data. Furthermore, STAR exhibits high data efficiency that only requires less than one-hour unlabeled data, and seamless generality to alternative large speech models and speech translation tasks. Our code aims to open source to the research communities.
Authors: Sam F. L. Windels, Noel Malod-Dognin, Natasa Przulj
Abstract: Random walks are widely used for mining networks due to the computational efficiency of computing them. For instance, graph representation learning learns a d-dimensional embedding space, so that the nodes that tend to co-occur on random walks (a proxy of being in the same network neighborhood) are close in the embedding space. Specific local network topology (i.e., structure) influences the co-occurrence of nodes on random walks, so random walks of limited length capture only partial topological information, hence diminishing the performance of downstream methods. We explicitly capture all topological neighborhood information and improve performance by introducing orbit adjacencies that quantify the adjacencies of two nodes as co-occurring on a given pair of graphlet orbits, which are symmetric positions on graphlets (small, connected, non-isomorphic, induced subgraphs of a large network). Importantly, we mathematically prove that random walks on up to k nodes capture only a subset of all the possible orbit adjacencies for up to k-node graphlets. Furthermore, we enable orbit adjacency-based analysis of networks by developing an efficient GRaphlet-orbit ADjacency COunter (GRADCO), which exhaustively computes all 28 orbit adjacency matrices for up to four-node graphlets. Note that four-node graphlets suffice, because real networks are usually small-world. In large networks on around 20,000 nodes, GRADCOcomputesthe28matricesinminutes. Onsixrealnetworksfromvarious domains, we compare the performance of node-label predictors obtained by using the network embeddings based on our orbit adjacencies to those based on random walks. We find that orbit adjacencies, which include those unseen by random walks, outperform random walk-based adjacencies, demonstrating the importance of the inclusion of the topological neighborhood information that is unseen by random walks.
Authors: Emma Clark, Kanghyun Ryu, Negar Mehr
Abstract: Learning from Demonstration (LfD) can be an efficient way to train systems with analogous agents by enabling ``Student'' agents to learn from the demonstrations of the most experienced ``Teacher'' agent, instead of training their policy in parallel. However, when there are discrepancies in agent capabilities, such as divergent actuator power or joint angle constraints, naively replicating demonstrations that are out of bounds for the Student's capability can limit efficient learning. We present a Teacher-Student learning framework specifically tailored to address the challenge of heterogeneity between the Teacher and Student agents. Our framework is based on the concept of ``surprise'', inspired by its application in exploration incentivization in sparse-reward environments. Surprise is repurposed to enable the Teacher to detect and adapt to differences between itself and the Student. By focusing on maximizing its surprise in response to the environment while concurrently minimizing the Student's surprise in response to the demonstrations, the Teacher agent can effectively tailor its demonstrations to the Student's specific capabilities and constraints. We validate our method by demonstrating improvements in the Student's learning in control tasks within sparse-reward environments.
Authors: Shuofei Qiao, Runnan Fang, Ningyu Zhang, Yuqi Zhu, Xiang Chen, Shumin Deng, Yong Jiang, Pengjun Xie, Fei Huang, Huajun Chen
Abstract: Recent endeavors towards directly using large language models (LLMs) as agent models to execute interactive planning tasks have shown commendable results. Despite their achievements, however, they still struggle with brainless trial-and-error in global planning and generating hallucinatory actions in local planning due to their poor understanding of the ''real'' physical world. Imitating humans' mental world knowledge model which provides global prior knowledge before the task and maintains local dynamic knowledge during the task, in this paper, we introduce parametric World Knowledge Model (WKM) to facilitate agent planning. Concretely, we steer the agent model to self-synthesize knowledge from both expert and sampled trajectories. Then we develop WKM, providing prior task knowledge to guide the global planning and dynamic state knowledge to assist the local planning. Experimental results on three complex real-world simulated datasets with three state-of-the-art open-source LLMs, Mistral-7B, Gemma-7B, and Llama-3-8B, demonstrate that our method can achieve superior performance compared to various strong baselines. Besides, we analyze to illustrate that our WKM can effectively alleviate the blind trial-and-error and hallucinatory action issues, providing strong support for the agent's understanding of the world. Other interesting findings include: 1) our instance-level task knowledge can generalize better to unseen tasks, 2) weak WKM can guide strong agent model planning, and 3) unified WKM training has promising potential for further development. Code will be available at https://github.com/zjunlp/WKM.
Authors: Dusko Pavlovic
Abstract: Machine-learned language models have transformed everyday life: they steer us when we study, drive, manage money. They have the potential to transform our civilization. But they hallucinate. Their realities are virtual. This note provides a high-level overview of language models and outlines a low-level model of learning machines. It turns out that, after they become capable of recognizing hallucinations and dreaming safely, as humans tend to be, the language-learning machines proceed to generate broader systems of false beliefs and self-confirming theories, as humans tend to do.
Authors: Jakob Karalus
Abstract: Human-in-the-loop reinforcement learning (HRL) allows the training of agents through various interfaces, even for non-expert humans. Recently, preference-based methods (PBRL), where the human has to give his preference over two trajectories, increased in popularity since they allow training in domains where more direct feedback is hard to formulate. However, the current PBRL methods have limitations and do not provide humans with an expressive interface for giving feedback. With this work, we propose a new preference-based learning method that provides humans with a more expressive interface to provide their preference over trajectories and a factual explanation (or annotation of why they have this preference). These explanations allow the human to explain what parts of the trajectory are most relevant for the preference. We allow the expression of the explanations over individual trajectory steps. We evaluate our method in various simulations using a simulated human oracle (with realistic restrictions), and our results show that our extended feedback can improve the speed of learning. Code & data: github.com/under-rewiev
Authors: Sebastian Allmeier, Nicolas Gast
Abstract: We study stochastic approximation algorithms with Markovian noise and constant step-size $\alpha$. We develop a method based on infinitesimal generator comparisons to study the bias of the algorithm, which is the expected difference between $\theta_n$ -- the value at iteration $n$ -- and $\theta^*$ -- the unique equilibrium of the corresponding ODE. We show that, under some smoothness conditions, this bias is of order $O(\alpha)$. Furthermore, we show that the time-averaged bias is equal to $\alpha V + O(\alpha^2)$, where $V$ is a constant characterized by a Lyapunov equation, showing that $\esp{\bar{\theta}_n} \approx \theta^*+V\alpha + O(\alpha^2)$, where $\bar{\theta}_n=(1/n)\sum_{k=1}^n\theta_k$ is the Polyak-Ruppert average. We also show that $\bar{\theta}_n$ converges with high probability around $\theta^*+\alpha V$. We illustrate how to combine this with Richardson-Romberg extrapolation to derive an iterative scheme with a bias of order $O(\alpha^2)$.
Authors: Michael Kerber, Florian Russold
Abstract: We introduce graphcodes, a novel multi-scale summary of the topological properties of a dataset that is based on the well-established theory of persistent homology. Graphcodes handle datasets that are filtered along two real-valued scale parameters. Such multi-parameter topological summaries are usually based on complicated theoretical foundations and difficult to compute; in contrast, graphcodes yield an informative and interpretable summary and can be computed as efficient as one-parameter summaries. Moreover, a graphcode is simply an embedded graph and can therefore be readily integrated in machine learning pipelines using graph neural networks. We describe such a pipeline and demonstrate that graphcodes achieve better classification accuracy than state-of-the-art approaches on various datasets.
Authors: Yang Zhang, Shixin Yang, Chenjia Bai, Fei Wu, Xiu Li, Xuelong Li, Zhen Wang
Abstract: Grounding the reasoning ability of large language models (LLMs) for embodied tasks is challenging due to the complexity of the physical world. Especially, LLM planning for multi-agent collaboration requires communication of agents or credit assignment as the feedback to re-adjust the proposed plans and achieve effective coordination. However, existing methods that overly rely on physical verification or self-reflection suffer from excessive and inefficient querying of LLMs. In this paper, we propose a novel framework for multi-agent collaboration that introduces Reinforced Advantage feedback (ReAd) for efficient self-refinement of plans. Specifically, we perform critic regression to learn a sequential advantage function from LLM-planned data, and then treat the LLM planner as an optimizer to generate actions that maximize the advantage function. It endows the LLM with the foresight to discern whether the action contributes to accomplishing the final task. We provide theoretical analysis by extending advantage-weighted regression in reinforcement learning to multi-agent systems. Experiments on Overcooked-AI and a difficult variant of RoCoBench show that ReAd surpasses baselines in success rate, and also significantly decreases the interaction steps of agents and query rounds of LLMs, demonstrating its high efficiency for grounding LLMs. More results are given at \url{https://read-llm.github.io/}.
Authors: Haoran Chen, Micah Goldblum, Zuxuan Wu, Yu-Gang Jiang
Abstract: Continual learning, also known as lifelong learning or incremental learning, refers to the process by which a model learns from a stream of incoming data over time. A common problem in continual learning is the classification layer's bias towards the most recent task. Traditionally, methods have relied on incorporating data from past tasks during training to mitigate this issue. However, the recent shift in continual learning to memory-free environments has rendered these approaches infeasible. In this study, we propose a solution focused on the testing phase. We first introduce a simple Out-of-Task Detection method, OTD, designed to accurately identify samples from past tasks during testing. Leveraging OTD, we then propose: (1) an Adaptive Retention mechanism for dynamically tuning the classifier layer on past task data; (2) an Adaptive Correction mechanism for revising predictions when the model classifies data from previous tasks into classes from the current task. We name our approach Adaptive Retention & Correction (ARC). While designed for memory-free environments, ARC also proves effective in memory-based settings. Extensive experiments show that our proposed method can be plugged in to virtually any existing continual learning approach without requiring any modifications to its training procedure. Specifically, when integrated with state-of-the-art approaches, ARC achieves an average performance increase of 2.7% and 2.6% on the CIFAR-100 and Imagenet-R datasets, respectively.
Authors: Mateusz Pach, Dawid Rymarczyk, Koryna Lewandowska, Jacek Tabor, Bartosz Zieli\'nski
Abstract: Prototypical parts networks combine the power of deep learning with the explainability of case-based reasoning to make accurate, interpretable decisions. They follow the this looks like that reasoning, representing each prototypical part with patches from training images. However, a single image patch comprises multiple visual features, such as color, shape, and texture, making it difficult for users to identify which feature is important to the model. To reduce this ambiguity, we introduce the Lucid Prototypical Parts Network (LucidPPN), a novel prototypical parts network that separates color prototypes from other visual features. Our method employs two reasoning branches: one for non-color visual features, processing grayscale images, and another focusing solely on color information. This separation allows us to clarify whether the model's decisions are based on color, shape, or texture. Additionally, LucidPPN identifies prototypical parts corresponding to semantic parts of classified objects, making comparisons between data classes more intuitive, e.g., when two bird species might differ primarily in belly color. Our experiments demonstrate that the two branches are complementary and together achieve results comparable to baseline methods. More importantly, LucidPPN generates less ambiguous prototypical parts, enhancing user understanding.
Authors: Otmane Sakhi, Imad Aouali, Pierre Alquier, Nicolas Chopin
Abstract: This work investigates the offline formulation of the contextual bandit problem, where the goal is to leverage past interactions collected under a behavior policy to evaluate, select, and learn new, potentially better-performing, policies. Motivated by critical applications, we move beyond point estimators. Instead, we adopt the principle of pessimism where we construct upper bounds that assess a policy's worst-case performance, enabling us to confidently select and learn improved policies. Precisely, we introduce novel, fully empirical concentration bounds for a broad class of importance weighting risk estimators. These bounds are general enough to cover most existing estimators and pave the way for the development of new ones. In particular, our pursuit of the tightest bound within this class motivates a novel estimator (LS), that logarithmically smooths large importance weights. The bound for LS is provably tighter than all its competitors, and naturally results in improved policy selection and learning strategies. Extensive policy evaluation, selection, and learning experiments highlight the versatility and favorable performance of LS.
Authors: Akide Liu, Jing Liu, Zizheng Pan, Yefei He, Gholamreza Haffari, Bohan Zhuang
Abstract: A critical approach for efficiently deploying computationally demanding large language models (LLMs) is Key-Value (KV) caching. The KV cache stores key-value states of previously generated tokens, significantly reducing the need for repetitive computations and thereby lowering latency in autoregressive generation. However, the size of the KV cache grows linearly with sequence length, posing challenges for applications requiring long context input and extensive sequence generation. In this paper, we present a simple yet effective approach, called MiniCache, to compress the KV cache across layers from a novel depth perspective, significantly reducing the memory footprint for LLM inference. Our approach is based on the observation that KV cache states exhibit high similarity between the adjacent layers in the middle-to-deep portion of LLMs. To facilitate merging, we propose disentangling the states into the magnitude and direction components, interpolating the directions of the state vectors while preserving their lengths unchanged. Furthermore, we introduce a token retention strategy to keep highly distinct state pairs unmerged, thus preserving the information with minimal additional storage overhead. Our MiniCache is training-free and general, complementing existing KV cache compression strategies, such as quantization and sparsity. We conduct a comprehensive evaluation of MiniCache utilizing various models including LLaMA-2, LLaMA-3, Phi-3, Mistral, and Mixtral across multiple benchmarks, demonstrating its exceptional performance in achieving superior compression ratios and high throughput. On the ShareGPT dataset, LLaMA-2-7B with 4-bit MiniCache achieves a remarkable compression ratio of up to 5.02x, enhances inference throughput by approximately 5x, and reduces the memory footprint by 41% compared to the FP16 full cache baseline, all while maintaining near-lossless performance.
Authors: Charles A. Hepburn, Yue Jin, Giovanni Montana
Abstract: Traditional offline reinforcement learning methods predominantly operate in a batch-constrained setting. This confines the algorithms to a specific state-action distribution present in the dataset, reducing the effects of distributional shift but restricting the algorithm greatly. In this paper, we alleviate this limitation by introducing a novel framework named \emph{state-constrained} offline reinforcement learning. By exclusively focusing on the dataset's state distribution, our framework significantly enhances learning potential and reduces previous limitations. The proposed setting not only broadens the learning horizon but also improves the ability to combine different trajectories from the dataset effectively, a desirable property inherent in offline reinforcement learning. Our research is underpinned by solid theoretical findings that pave the way for subsequent advancements in this domain. Additionally, we introduce StaCQ, a deep learning algorithm that is both performance-driven on the D4RL benchmark datasets and closely aligned with our theoretical propositions. StaCQ establishes a strong baseline for forthcoming explorations in state-constrained offline reinforcement learning.
Authors: Alberto Cabezas, Louis Sharrock, Christopher Nemeth
Abstract: Continuous normalizing flows (CNFs) learn the probability path between a reference and a target density by modeling the vector field generating said path using neural networks. Recently, Lipman et al. (2022) introduced a simple and inexpensive method for training CNFs in generative modeling, termed flow matching (FM). In this paper, we re-purpose this method for probabilistic inference by incorporating Markovian sampling methods in evaluating the FM objective and using the learned probability path to improve Monte Carlo sampling. We propose a sequential method, which uses samples from a Markov chain to fix the probability path defining the FM objective. We augment this scheme with an adaptive tempering mechanism that allows the discovery of multiple modes in the target. Under mild assumptions, we establish convergence to a local optimum of the FM objective, discuss improvements in the convergence rate, and illustrate our methods on synthetic and real-world examples.
Authors: Jaewoo Yang, Hayun Kim, Younghoon Kim
Abstract: Modern large language models (LLMs) have established state-of-the-art performance through architectural improvements, but still require significant computational cost for inference. In an effort to reduce the inference cost, post-training quantization (PTQ) has become a popular approach, quantizing weights and activations to lower precision, such as INT8. In this paper, we reveal the challenges of activation quantization in GLU variants, which are widely used in feed-forward network (FFN) of modern LLMs, such as LLaMA family. The problem is that severe local quantization errors, caused by excessive magnitudes of activation in GLU variants, significantly degrade the performance of the quantized LLM. We denote these activations as activation spikes. Our further observations provide a systematic pattern of activation spikes: 1) The activation spikes occur in the FFN of specific layers, particularly in the early and late layers, 2) The activation spikes are dedicated to a couple of tokens, rather than being shared across a sequence. Based on our observations, we propose two empirical methods, Quantization-free Module (QFeM) and Quantization-free Prefix (QFeP), to isolate the activation spikes during quantization. Our extensive experiments validate the effectiveness of the proposed methods for the activation quantization, especially with coarse-grained scheme, of latest LLMs with GLU variants, including LLaMA-2/3, Mistral, Mixtral, SOLAR, and Gemma. In particular, our methods enhance the current alleviation techniques (e.g., SmoothQuant) that fail to control the activation spikes. Code is available at https://github.com/onnoo/activation-spikes.
Authors: Mohamed Mejri, Chandramouli Amarnath, Abhijit Chatterjee
Abstract: Human cognition excels at symbolic reasoning, deducing abstract rules from limited samples. This has been explained using symbolic and connectionist approaches, inspiring the development of a neuro-symbolic architecture that combines both paradigms. In parallel, recent studies have proposed the use of a "relational bottleneck" that separates object-level features from abstract rules, allowing learning from limited amounts of data . While powerful, it is vulnerable to the curse of compositionality meaning that object representations with similar features tend to interfere with each other. In this paper, we leverage hyperdimensional computing, which is inherently robust to such interference to build a compositional architecture. We adapt the "relational bottleneck" strategy to a high-dimensional space, incorporating explicit vector binding operations between symbols and relational representations. Additionally, we design a novel high-dimensional attention mechanism that leverages this relational representation. Our system benefits from the low overhead of operations in hyperdimensional space, making it significantly more efficient than the state of the art when evaluated on a variety of test datasets, while maintaining higher or equal accuracy.
Authors: Jamie Burke, Justin Engelmann, Charlene Hamid, Diana Moukaddem, Dan Pugh, Neeraj Dhaun, Amos Storkey, Niall Strang, Stuart King, Tom MacGillivray, Miguel O. Bernabeu, Ian J. C. MacCormick
Abstract: The choroid is a key vascular layer of the eye, supplying oxygen to the retinal photoreceptors. Non-invasive enhanced depth imaging optical coherence tomography (EDI-OCT) has recently improved access and visualisation of the choroid, making it an exciting frontier for discovering novel vascular biomarkers in ophthalmology and wider systemic health. However, current methods to measure the choroid often require use of multiple, independent semi-automatic and deep learning-based algorithms which are not made open-source. Previously, Choroidalyzer -- an open-source, fully automatic deep learning method trained on 5,600 OCT B-scans from 385 eyes -- was developed to fully segment and quantify the choroid in EDI-OCT images, thus addressing these issues. Using the same dataset, we propose a Robust, Resolution-agnostic and Efficient Attention-based network for CHoroid segmentation (REACH). REACHNet leverages multi-resolution training with domain-specific data augmentation to promote generalisation, and uses a lightweight architecture with resolution-agnostic self-attention which is not only faster than Choroidalyzer's previous network (4 images/s vs. 2.75 images/s on a standard laptop CPU), but has greater performance for segmenting the choroid region, vessels and fovea (Dice coefficient for region 0.9769 vs. 0.9749, vessels 0.8612 vs. 0.8192 and fovea 0.8243 vs. 0.3783) due to its improved hyperparameter configuration and model training pipeline. REACHNet can be used with Choroidalyzer as a drop-in replacement for the original model and will be made available upon publication.
Authors: Daniel Kienzle, Marco Kantonis, Robin Sch\"on, Rainer Lienhart
Abstract: Utilizing transformer architectures for semantic segmentation of high-resolution images is hindered by the attention's quadratic computational complexity in the number of tokens. A solution to this challenge involves decreasing the number of tokens through token merging, which has exhibited remarkable enhancements in inference speed, training efficiency, and memory utilization for image classification tasks. In this paper, we explore various token merging strategies within the framework of the Segformer architecture and perform experiments on multiple semantic segmentation and human pose estimation datasets. Notably, without model re-training, we, for example, achieve an inference acceleration of 61% on the Cityscapes dataset while maintaining the mIoU performance. Consequently, this paper facilitates the deployment of transformer-based architectures on resource-constrained devices and in real-time applications.
Authors: Joris Depoortere, Johan Driesen, Johan Suykens, Hussain Syed Kazmi
Abstract: Deep learning models have gained increasing prominence in recent years in the field of solar pho-tovoltaic (PV) forecasting. One drawback of these models is that they require a lot of high-quality data to perform well. This is often infeasible in practice, due to poor measurement infrastructure in legacy systems and the rapid build-up of new solar systems across the world. This paper proposes SolNet: a novel, general-purpose, multivariate solar power forecaster, which addresses these challenges by using a two-step forecasting pipeline which incorporates transfer learning from abundant synthetic data generated from PVGIS, before fine-tuning on observational data. Using actual production data from hundreds of sites in the Netherlands, Australia and Belgium, we show that SolNet improves forecasting performance over data-scarce settings as well as baseline models. We find transfer learning benefits to be the strongest when only limited observational data is available. At the same time we provide several guidelines and considerations for transfer learning practitioners, as our results show that weather data, seasonal patterns, amount of synthetic data and possible mis-specification in source location, can have a major impact on the results. The SolNet models created in this way are applicable for any land-based solar photovoltaic system across the planet where simulated and observed data can be combined to obtain improved forecasting capabilities.
Authors: Tim Gyger, Reinhard Furrer, Fabio Sigrist
Abstract: Gaussian processes are flexible probabilistic regression models which are widely used in statistics and machine learning. However, a drawback is their limited scalability to large data sets. To alleviate this, we consider full-scale approximations (FSAs) that combine predictive process methods and covariance tapering, thus approximating both global and local structures. We show how iterative methods can be used to reduce the computational costs for calculating likelihoods, gradients, and predictive distributions with FSAs. We introduce a novel preconditioner and show that it accelerates the conjugate gradient method's convergence speed and mitigates its sensitivity with respect to the FSA parameters and the eigenvalue structure of the original covariance matrix, and we demonstrate empirically that it outperforms a state-of-the-art pivoted Cholesky preconditioner. Further, we present a novel, accurate, and fast way to calculate predictive variances relying on stochastic estimations and iterative methods. In both simulated and real-world data experiments, we find that our proposed methodology achieves the same accuracy as Cholesky-based computations with a substantial reduction in computational time. Finally, we also compare different approaches for determining inducing points in predictive process and FSA models. All methods are implemented in a free C++ software library with high-level Python and R packages.
Authors: Alexander Modell
Abstract: In this paper, we derive entrywise error bounds for low-rank approximations of kernel matrices obtained using the truncated eigen-decomposition (or singular value decomposition). While this approximation is well-known to be optimal with respect to the spectral and Frobenius norm error, little is known about the statistical behaviour of individual entries. Our error bounds fill this gap. A key technical innovation is a delocalisation result for the eigenvectors of the kernel matrix corresponding to small eigenvalues, which takes inspiration from the field of Random Matrix Theory. Finally, we validate our theory with an empirical study of a collection of synthetic and real-world datasets.
Authors: Jaime Gonz\'alez-Gonz\'alez, Silvia Garc\'ia-M\'endez, Francisco de Arriba-P\'erez, Francisco J. Gonz\'alez-Casta\~no, \'Oscar Barba-Seara
Abstract: Concerns about the effect of greenhouse gases have motivated the development of certification protocols to quantify the industrial carbon footprint (CF). These protocols are manual, work-intensive, and expensive. All of the above have led to a shift towards automatic data-driven approaches to estimate the CF, including Machine Learning (ML) solutions. Unfortunately, the decision-making processes involved in these solutions lack transparency from the end user's point of view, who must blindly trust their outcomes compared to intelligible traditional manual approaches. In this research, manual and automatic methodologies for CF estimation were reviewed, taking into account their transparency limitations. This analysis led to the proposal of a new explainable ML solution for automatic CF calculations through bank transaction classification. Consideration should be given to the fact that no previous research has considered the explainability of bank transaction classification for this purpose. For classification, different ML models have been employed based on their promising performance in the literature, such as Support Vector Machine, Random Forest, and Recursive Neural Networks. The results obtained were in the 90 % range for accuracy, precision, and recall evaluation metrics. From their decision paths, the proposed solution estimates the CO2 emissions associated with bank transactions. The explainability methodology is based on an agnostic evaluation of the influence of the input terms extracted from the descriptions of transactions using locally interpretable models. The explainability terms were automatically validated using a similarity metric over the descriptions of the target categories. Conclusively, the explanation performance is satisfactory in terms of the proximity of the explanations to the associated activity sector descriptions.
Authors: Chufan Shi, Cheng Yang, Xinyu Zhu, Jiahao Wang, Taiqiang Wu, Siheng Li, Deng Cai, Yujiu Yang, Yu Meng
Abstract: Mixture-of-Experts (MoE) has emerged as a prominent architecture for scaling model size while maintaining computational efficiency. In MoE, each token in the input sequence activates a different subset of experts determined by a routing mechanism. However, the unchosen experts in MoE models do not contribute to the output, potentially leading to underutilization of the model's capacity. In this work, we first conduct exploratory studies to demonstrate that increasing the number of activated experts does not necessarily improve and can even degrade the output quality. Then, we show that output distributions from an MoE model using different routing strategies substantially differ, indicating that different experts do not always act synergistically. Motivated by these findings, we propose Self-Contrast Mixture-of-Experts (SCMoE), a training-free strategy that utilizes unchosen experts in a self-contrast manner during inference. In SCMoE, the next-token probabilities are determined by contrasting the outputs from strong and weak activation using the same MoE model. Our method is conceptually simple and computationally lightweight, as it incurs minimal latency compared to greedy decoding. Experiments on several benchmarks (GSM8K, StrategyQA, MBPP and HumanEval) demonstrate that SCMoE can consistently enhance Mixtral 8x7B's reasoning capability across various domains. For example, it improves the accuracy on GSM8K from 61.79 to 66.94. Moreover, combining SCMoE with self-consistency yields additional gains, increasing major@20 accuracy from 75.59 to 78.31.
Authors: Fernando E. Casado
Abstract: The global increase in the elderly population necessitates innovative long-term care solutions to improve the quality of life for vulnerable individuals while reducing caregiver burdens. Assistive robots, leveraging advancements in Machine Learning, offer promising personalised support. However, their integration into daily life raises significant privacy concerns. Widely used frameworks like the Robot Operating System (ROS) historically lack inherent privacy mechanisms, complicating data-driven approaches in robotics. This research pioneers user-centric, privacy-aware technologies such as Federated Learning (FL) to advance assistive robotics. FL enables collaborative learning without sharing sensitive data, addressing privacy and scalability issues. This work includes developing solutions for smart wheelchair assistance, enhancing user independence and well-being. By tackling challenges related to non-stationary data and heterogeneous environments, the research aims to improve personalisation and user experience. Ultimately, it seeks to lead the responsible integration of assistive robots into society, enhancing the quality of life for elderly and care-dependent individuals.
Authors: Mathieu Even, Luca Ganassali, Jakob Maier, Laurent Massouli\'e
Abstract: The Procrustes-Wasserstein problem consists in matching two high-dimensional point clouds in an unsupervised setting, and has many applications in natural language processing and computer vision. We consider a planted model with two datasets $X,Y$ that consist of $n$ datapoints in $\mathbb{R}^d$, where $Y$ is a noisy version of $X$, up to an orthogonal transformation and a relabeling of the data points. This setting is related to the graph alignment problem in geometric models. In this work, we focus on the euclidean transport cost between the point clouds as a measure of performance for the alignment. We first establish information-theoretic results, in the high ($d \gg \log n$) and low ($d \ll \log n$) dimensional regimes. We then study computational aspects and propose the Ping-Pong algorithm, alternatively estimating the orthogonal transformation and the relabeling, initialized via a Franke-Wolfe convex relaxation. We give sufficient conditions for the method to retrieve the planted signal after one single step. We provide experimental results to compare the proposed approach with the state-of-the-art method of Grave et al. (2019).
Authors: Kun Li, Xiuwen Gong, Shirui Pan, Jia Wu, Bo Du, Wenbin Hu
Abstract: Drug response prediction (DRP) is a crucial phase in drug discovery, and the most important metric for its evaluation is the IC50 score. DRP results are heavily dependent on the quality of the generated molecules. Existing molecule generation methods typically employ classifier-based guidance, enabling sampling within the IC50 classification range. However, these methods fail to ensure the sampling space range's effectiveness, generating numerous ineffective molecules. Through experimental and theoretical study, we hypothesize that conditional generation based on the target IC50 score can obtain a more effective sampling space. As a result, we introduce regressor-free guidance molecule generation to ensure sampling within a more effective space and support DRP. Regressor-free guidance combines a diffusion model's score estimation with a regression controller model's gradient based on number labels. To effectively map regression labels between drugs and cell lines, we design a common-sense numerical knowledge graph that constrains the order of text representations. Experimental results on the real-world dataset for the DRP task demonstrate our method's effectiveness in drug discovery. The code is available at:https://anonymous.4open.science/r/RMCD-DBD1.
Authors: Anthony Bardou, Patrick Thiran, Giovanni Ranieri
Abstract: Bayesian Optimization (BO) has proven to be very successful at optimizing a static, noisy, costly-to-evaluate black-box function $f : \mathcal{S} \to \mathbb{R}$. However, optimizing a black-box which is also a function of time (i.e., a dynamic function) $f : \mathcal{S} \times \mathcal{T} \to \mathbb{R}$ remains a challenge, since a dynamic Bayesian Optimization (DBO) algorithm has to keep track of the optimum over time. This changes the nature of the optimization problem in at least three aspects: (i) querying an arbitrary point in $\mathcal{S} \times \mathcal{T}$ is impossible, (ii) past observations become less and less relevant for keeping track of the optimum as time goes by and (iii) the DBO algorithm must have a high sampling frequency so it can collect enough relevant observations to keep track of the optimum through time. In this paper, we design a Wasserstein distance-based criterion able to quantify the relevancy of an observation with respect to future predictions. Then, we leverage this criterion to build W-DBO, a DBO algorithm able to remove irrelevant observations from its dataset on the fly, thus maintaining simultaneously a good predictive performance and a high sampling frequency, even in continuous-time optimization tasks with unknown horizon. Numerical experiments establish the superiority of W-DBO, which outperforms state-of-the-art methods by a comfortable margin.
Authors: Hongzhi Zhang, Xiuwen Gong, Shirui Pan, Jia Wu, Bo Du, Wenbin Hu
Abstract: Drug-target interaction (DTI) prediction is a critical component of the drug discovery process. In the drug development engineering field, predicting novel drug-target interactions is extremely crucial.However, although existing methods have achieved high accuracy levels in predicting known drugs and drug targets, they fail to utilize global protein information during DTI prediction. This leads to an inability to effectively predict interaction the interactions between novel drugs and their targets. As a result, the cross-field information fusion strategy is employed to acquire local and global protein information. Thus, we propose the siamese drug-target interaction SiamDTI prediction method, which utilizes a double channel network structure for cross-field supervised learning.Experimental results on three benchmark datasets demonstrate that SiamDTI achieves higher accuracy levels than other state-of-the-art (SOTA) methods on novel drugs and targets.Additionally, SiamDTI's performance with known drugs and targets is comparable to that of SOTA approachs. The code is available at https://anonymous.4open.science/r/DDDTI-434D.
Authors: Abhishek Kumar, Sarfaroz Yunusov, Ali Emami
Abstract: Research on Large Language Models (LLMs) has often neglected subtle biases that, although less apparent, can significantly influence the models' outputs toward particular social narratives. This study addresses two such biases within LLMs: \textit{representative bias}, which denotes a tendency of LLMs to generate outputs that mirror the experiences of certain identity groups, and \textit{affinity bias}, reflecting the models' evaluative preferences for specific narratives or viewpoints. We introduce two novel metrics to measure these biases: the Representative Bias Score (RBS) and the Affinity Bias Score (ABS), and present the Creativity-Oriented Generation Suite (CoGS), a collection of open-ended tasks such as short story writing and poetry composition, designed with customized rubrics to detect these subtle biases. Our analysis uncovers marked representative biases in prominent LLMs, with a preference for identities associated with being white, straight, and men. Furthermore, our investigation of affinity bias reveals distinctive evaluative patterns within each model, akin to `bias fingerprints'. This trend is also seen in human evaluators, highlighting a complex interplay between human and machine bias perceptions.
Authors: Christopher Rawles, Sarah Clinckemaillie, Yifan Chang, Jonathan Waltz, Gabrielle Lau, Marybeth Fair, Alice Li, William Bishop, Wei Li, Folawiyo Campbell-Ajala, Daniel Toyama, Robert Berry, Divya Tyamagundlu, Timothy Lillicrap, Oriana Riva
Abstract: Autonomous agents that execute human tasks by controlling computers can enhance human productivity and application accessibility. Yet, progress in this field will be driven by realistic and reproducible benchmarks. We present AndroidWorld, a fully functioning Android environment that provides reward signals for 116 programmatic task workflows across 20 real world Android applications. Unlike existing interactive environments, which provide a static test set, AndroidWorld dynamically constructs tasks that are parameterized and expressed in natural language in unlimited ways, thus enabling testing on a much larger and realistic suite of tasks. Reward signals are derived from the computer's system state, making them durable across task variations and extensible across different apps. To demonstrate AndroidWorld's benefits and mode of operation, we introduce a new computer control agent, M3A. M3A can complete 30.6% of the AndroidWorld's tasks, leaving ample room for future work. Furthermore, we adapt a popular desktop web agent to work on Android, which we find to be less effective on mobile, suggesting future research is needed to achieve universal, cross-domain agents. Finally, we conduct a robustness analysis by testing M3A against a range of task variations on a representative subset of tasks, demonstrating that variations in task parameters can significantly alter the complexity of a task and therefore an agent's performance, highlighting the importance of testing agents under diverse conditions. AndroidWorld and the experiments in this paper are available at https://github.com/google-research/android_world.
Authors: Seta Rakotomandimby, Jean-Philippe Chancelier, Michel de Lara, Mathieu Blondel
Abstract: Fenchel-Young losses are a family of convex loss functions, encompassing the squared, logistic and sparsemax losses, among others. Each Fenchel-Young loss is implicitly associated with a link function, for mapping model outputs to predictions. For instance, the logistic loss is associated with the soft argmax link function. Can we build new loss functions associated with the same link function as Fenchel-Young losses? In this paper, we introduce Fitzpatrick losses, a new family of convex loss functions based on the Fitzpatrick function. A well-known theoretical tool in maximal monotone operator theory, the Fitzpatrick function naturally leads to a refined Fenchel-Young inequality, making Fitzpatrick losses tighter than Fenchel-Young losses, while maintaining the same link function for prediction. As an example, we introduce the Fitzpatrick logistic loss and the Fitzpatrick sparsemax loss, counterparts of the logistic and the sparsemax losses. This yields two new tighter losses associated with the soft argmax and the sparse argmax, two of the most ubiquitous output layers used in machine learning. We study in details the properties of Fitzpatrick losses and in particular, we show that they can be seen as Fenchel-Young losses using a modified, target-dependent generating function. We demonstrate the effectiveness of Fitzpatrick losses for label proportion estimation.
Authors: Domenic Rosati, Jan Wehner, Kai Williams, {\L}ukasz Bartoszcze, David Atanasov, Robie Gonzales, Subhabrata Majumdar, Carsten Maple, Hassan Sajjad, Frank Rudzicz
Abstract: Releasing open-source large language models (LLMs) presents a dual-use risk since bad actors can easily fine-tune these models for harmful purposes. Even without the open release of weights, weight stealing and fine-tuning APIs make closed models vulnerable to harmful fine-tuning attacks (HFAs). While safety measures like preventing jailbreaks and improving safety guardrails are important, such measures can easily be reversed through fine-tuning. In this work, we propose Representation Noising (RepNoise), a defence mechanism that is effective even when attackers have access to the weights and the defender no longer has any control. RepNoise works by removing information about harmful representations such that it is difficult to recover them during fine-tuning. Importantly, our defence is also able to generalize across different subsets of harm that have not been seen during the defence process. Our method does not degrade the general capability of LLMs and retains the ability to train the model on harmless tasks. We provide empirical evidence that the effectiveness of our defence lies in its "depth": the degree to which information about harmful representations is removed across all layers of the LLM.
Authors: Shiqi Yang, Zhi Zhong, Mengjie Zhao, Shusuke Takahashi, Masato Ishii, Takashi Shibuya, Yuki Mitsufuji
Abstract: In recent years, with the realistic generation results and a wide range of personalized applications, diffusion-based generative models gain huge attention in both visual and audio generation areas. Compared to the considerable advancements of text2image or text2audio generation, research in audio2visual or visual2audio generation has been relatively slow. The recent audio-visual generation methods usually resort to huge large language model or composable diffusion models. Instead of designing another giant model for audio-visual generation, in this paper we take a step back showing a simple and lightweight generative transformer, which is not fully investigated in multi-modal generation, can achieve excellent results on image2audio generation. The transformer operates in the discrete audio and visual Vector-Quantized GAN space, and is trained in the mask denoising manner. After training, the classifier-free guidance could be deployed off-the-shelf achieving better performance, without any extra training or modification. Since the transformer model is modality symmetrical, it could also be directly deployed for audio2image generation and co-generation. In the experiments, we show that our simple method surpasses recent image2audio generation methods. Generated audio samples can be found at https://docs.google.com/presentation/d/1ZtC0SeblKkut4XJcRaDsSTuCRIXB3ypxmSi7HTY3IyQ
URLs: https://docs.google.com/presentation/d/1ZtC0SeblKkut4XJcRaDsSTuCRIXB3ypxmSi7HTY3IyQ
Authors: Tom Fischer, Pascal Peter, Joachim Weickert, Eddy Ilg
Abstract: Deep learning has revolutionized the field of computer vision by introducing large scale neural networks with millions of parameters. Training these networks requires massive datasets and leads to intransparent models that can fail to generalize. At the other extreme, models designed from partial differential equations (PDEs) embed specialized domain knowledge into mathematical equations and usually rely on few manually chosen hyperparameters. This makes them transparent by construction and if designed and calibrated carefully, they can generalize well to unseen scenarios. In this paper, we show how to bring model- and data-driven approaches together by combining the explicit PDE-based approaches with convolutional neural networks to obtain the best of both worlds. We illustrate a joint architecture for the task of inpainting optical flow fields and show that the combination of model- and data-driven modeling leads to an effective architecture. Our model outperforms both fully explicit and fully data-driven baselines in terms of reconstruction quality, robustness and amount of required training data. Averaging the endpoint error across different mask densities, our method outperforms the explicit baselines by 11-27%, the GAN baseline by 47% and the Probabilisitic Diffusion baseline by 42%. With that, our method sets a new state of the art for inpainting of optical flow fields from random masks.
Authors: Adrian F. Amil, Ismael T. Freire, Paul F. M. J. Verschure
Abstract: The hippocampus has been associated with both spatial cognition and episodic memory formation, but integrating these functions into a unified framework remains challenging. Here, we demonstrate that forming discrete memories of visual events in sparse autoencoder neurons can produce spatial tuning similar to hippocampal place cells. We then show that the resulting very high-dimensional code enables neurons to discretize and tile the underlying image space with minimal overlap. Additionally, we extend our results to the auditory domain, showing that neurons similarly tile the frequency space in an experience-dependent manner. Lastly, we show that reinforcement learning agents can effectively perform various visuo-spatial cognitive tasks using these sparse, very high-dimensional representations.
Authors: Kedar Karhadkar, Michael Murray, Guido Mont\'ufar
Abstract: Bounds on the smallest eigenvalue of the neural tangent kernel (NTK) are a key ingredient in the analysis of neural network optimization and memorization. However, existing results require distributional assumptions on the data and are limited to a high-dimensional setting, where the input dimension $d_0$ scales at least logarithmically in the number of samples $n$. In this work we remove both of these requirements and instead provide bounds in terms of a measure of the collinearity of the data: notably these bounds hold with high probability even when $d_0$ is held constant versus $n$. We prove our results through a novel application of the hemisphere transform.
Authors: Zhicheng Sun, Zhenhao Yang, Yang Jin, Haozhe Chi, Kun Xu, Kun Xu, Liwei Chen, Hao Jiang, Di Zhang, Yang Song, Kun Gai, Yadong Mu
Abstract: Customizing diffusion models to generate identity-preserving images from user-provided reference images is an intriguing new problem. The prevalent approaches typically require training on extensive domain-specific images to achieve identity preservation, which lacks flexibility across different use cases. To address this issue, we exploit classifier guidance, a training-free technique that steers diffusion models using an existing classifier, for personalized image generation. Our study shows that based on a recent rectified flow framework, the major limitation of vanilla classifier guidance in requiring a special classifier can be resolved with a simple fixed-point solution, allowing flexible personalization with off-the-shelf image discriminators. Moreover, its solving procedure proves to be stable when anchored to a reference flow trajectory, with a convergence guarantee. The derived method is implemented on rectified flow with different off-the-shelf image discriminators, delivering advantageous personalization results for human faces, live subjects, and certain objects. Code is available at https://github.com/feifeiobama/RectifID.
Authors: Egon Per\v{s}ak, Miguel F. Anjos
Abstract: Decision-focused learning has emerged as a promising approach for decision making under uncertainty by training the upstream predictive aspect of the pipeline with respect to the quality of the downstream decisions. Most existing work has focused on single stage problems. Many real-world decision problems are more appropriately modelled using multistage optimisation as contextual information such as prices or demand is revealed over time and decisions now have a bearing on future decisions. We propose decision-focused forecasting, a multiple-implicitlayer model which in its training accounts for the intertemporal decision effects of forecasts using differentiable optimisation. The recursive model reflects a fully differentiable multistage optimisation approach. We present an analysis of the gradients produced by this model showing the adjustments made to account for the state-path caused by forecasting. We demonstrate an application of the model to an energy storage arbitrage task and report that our model outperforms existing approaches.
Authors: Sainyam Galhotra, Joseph Y. Halpern
Abstract: Causal models are crucial for understanding complex systems and identifying causal relationships among variables. Even though causal models are extremely popular, conditional probability calculation of formulas involving interventions pose significant challenges. In case of Causal Bayesian Networks (CBNs), Pearl assumes autonomy of mechanisms that determine interventions to calculate a range of probabilities. We show that by making simple yet often realistic independence assumptions, it is possible to uniquely estimate the probability of an interventional formula (including the well-studied notions of probability of sufficiency and necessity). We discuss when these assumptions are appropriate. Importantly, in many cases of interest, when the assumptions are appropriate, these probability estimates can be evaluated using observational data, which carries immense significance in scenarios where conducting experiments is impractical or unfeasible.
Authors: Luke McDermott
Abstract: Real world re-identfication (ReID) algorithms aim to map new observations of an object to previously recorded instances. These systems are often constrained by quantity and size of the stored embeddings. To combat this scaling problem, we attempt to shrink the size of these vectors by using a variety of compression techniques. In this paper, we benchmark quantization-aware-training along with three different dimension reduction methods: iterative structured pruning, slicing the embeddings at initialize, and using low rank embeddings. We find that ReID embeddings can be compressed by up to 96x with minimal drop in performance. This implies that modern re-identification paradigms do not fully leverage the high dimensional latent space, opening up further research to increase the capabilities of these systems.
Authors: Yu Meng, Mengzhou Xia, Danqi Chen
Abstract: Direct Preference Optimization (DPO) is a widely used offline preference optimization algorithm that reparameterizes reward functions in reinforcement learning from human feedback (RLHF) to enhance simplicity and training stability. In this work, we propose SimPO, a simpler yet more effective approach. The effectiveness of SimPO is attributed to a key design: using the average log probability of a sequence as the implicit reward. This reward formulation better aligns with model generation and eliminates the need for a reference model, making it more compute and memory efficient. Additionally, we introduce a target reward margin to the Bradley-Terry objective to encourage a larger margin between the winning and losing responses, further enhancing the algorithm's performance. We compare SimPO to DPO and its latest variants across various state-of-the-art training setups, including both base and instruction-tuned models like Mistral and Llama3. We evaluated on extensive instruction-following benchmarks, including AlpacaEval 2, MT-Bench, and the recent challenging Arena-Hard benchmark. Our results demonstrate that SimPO consistently and significantly outperforms existing approaches without substantially increasing response length. Specifically, SimPO outperforms DPO by up to 6.4 points on AlpacaEval 2 and by up to 7.5 points on Arena-Hard. Our top-performing model, built on Llama3-8B-Instruct, achieves a remarkable 44.7 length-controlled win rate on AlpacaEval 2 -- surpassing Claude 3 Opus on the leaderboard, and a 33.8 win rate on Arena-Hard -- making it the strongest 8B open-source model.
Authors: Xinyi Shang, Peng Sun, Tao Lin
Abstract: Recent advancements in dataset distillation have demonstrated the significant benefits of employing soft labels generated by pre-trained teacher models. In this paper, we introduce a novel perspective by emphasizing the full utilization of labels. We first conduct a comprehensive comparison of various loss functions for soft label utilization in dataset distillation, revealing that the model trained on the synthetic dataset exhibits high sensitivity to the choice of loss function for soft label utilization. This finding highlights the necessity of a universal loss function for training models on synthetic datasets. Building on these insights, we introduce an extremely simple yet surprisingly effective plug-and-play approach, GIFT, which encompasses soft label refinement and a cosine similarity-based loss function to efficiently leverage full label information. Extensive experiments demonstrate that GIFT consistently enhances the state-of-the-art dataset distillation methods across various scales datasets without incurring additional computational costs. For instance, on ImageNet-1K with IPC = 10, GIFT improves the SOTA method RDED by 3.9% and 1.8% on ConvNet and ResNet-18, respectively. Code: https://github.com/LINs-lab/GIFT.
Authors: Huaqian Jie, Donghao Ying, Henry Lam, Wotao Yin
Abstract: Bagging is a popular ensemble technique to improve the accuracy of machine learning models. It hinges on the well-established rationale that, by repeatedly retraining on resampled data, the aggregated model exhibits lower variance and hence higher stability, especially for discontinuous base learners. In this paper, we provide a new perspective on bagging: By suitably aggregating the base learners at the parametrization instead of the output level, bagging improves generalization performances exponentially, a strength that is significantly more powerful than variance reduction. More precisely, we show that for general stochastic optimization problems that suffer from slowly (i.e., polynomially) decaying generalization errors, bagging can effectively reduce these errors to an exponential decay. Moreover, this power of bagging is agnostic to the solution schemes, including common empirical risk minimization, distributionally robust optimization, and various regularizations. We demonstrate how bagging can substantially improve generalization performances in a range of examples involving heavy-tailed data that suffer from intrinsically slow rates.
Authors: Juyoung Yun, Jungmin Shin
Abstract: Solar flares, especially C, M, and X class, pose significant risks to satellite operations, communication systems, and power grids. We present a novel approach for predicting extreme solar flares using HMI intensitygrams and magnetograms. By detecting sunspots from intensitygrams and extracting magnetic field patches from magnetograms, we train a Residual Network (ResNet) to classify extreme class flares. Our model demonstrates high accuracy, offering a robust tool for predicting extreme solar flares and improving space weather forecasting. Additionally, we show that HMI magnetograms provide more useful data for deep learning compared to other SDO AIA images by better capturing features critical for predicting flare magnitudes. This study underscores the importance of identifying magnetic fields in solar flare prediction, marking a significant advancement in solar activity prediction with practical implications for mitigating space weather impacts.
Authors: Aral de Moor, Arie van Deursen, Maliheh Izadi
Abstract: Transformer-based language models are highly effective for code completion, with much research dedicated to enhancing the content of these completions. Despite their effectiveness, these models come with high operational costs and can be intrusive, especially when they suggest too often and interrupt developers who are concentrating on their work. Current research largely overlooks how these models interact with developers in practice and neglects to address when a developer should receive completion suggestions. To tackle this issue, we developed a machine learning model that can accurately predict when to invoke a code completion tool given the code context and available telemetry data. To do so, we collect a dataset of 200k developer interactions with our cross-IDE code completion plugin and train several invocation filtering models. Our results indicate that our small-scale transformer model significantly outperforms the baseline while maintaining low enough latency. We further explore the search space for integrating additional telemetry data into a pre-trained transformer directly and obtain promising results. To further demonstrate our approach's practical potential, we deployed the model in an online environment with 34 developers and provided real-world insights based on 74k actual invocations.
Authors: A. Herreros-Mart\'inez, R. Magdalena-Benedicto, J. Vila-Franc\'es, A. J. Serrano-L\'opez, S. P\'erez-D\'iaz
Abstract: In a context of a continuous digitalisation of processes, organisations must deal with the challenge of detecting anomalies that can reveal suspicious activities upon an increasing volume of data. To pursue this goal, audit engagements are carried out regularly, and internal auditors and purchase specialists are constantly looking for new methods to automate these processes. This work proposes a methodology to prioritise the investigation of the cases detected in two large purchase datasets from real data. The goal is to contribute to the effectiveness of the companies' control efforts and to increase the performance of carrying out such tasks. A comprehensive Exploratory Data Analysis is carried out before using unsupervised Machine Learning techniques addressed to detect anomalies. A univariate approach has been applied through the z-Score index and the DBSCAN algorithm, while a multivariate analysis is implemented with the k-Means and Isolation Forest algorithms, and the Silhouette index, resulting in each method having a transaction candidates' proposal to be reviewed. An ensemble prioritisation of the candidates is provided jointly with a proposal of explicability methods (LIME, Shapley, SHAP) to help the company specialists in their understanding.
Authors: Luise Ge, Daniel Halpern, Evi Micha, Ariel D. Procaccia, Itai Shapira, Yevgeniy Vorobeychik, Junlin Wu
Abstract: In the context of reinforcement learning from human feedback (RLHF), the reward function is generally derived from maximum likelihood estimation of a random utility model based on pairwise comparisons made by humans. The problem of learning a reward function is one of preference aggregation that, we argue, largely falls within the scope of social choice theory. From this perspective, we can evaluate different aggregation methods via established axioms, examining whether these methods meet or fail well-known standards. We demonstrate that both the Bradley-Terry-Luce Model and its broad generalizations fail to meet basic axioms. In response, we develop novel rules for learning reward functions with strong axiomatic guarantees. A key innovation from the standpoint of social choice is that our problem has a linear structure, which greatly restricts the space of feasible rules and leads to a new paradigm that we call linear social choice.
Authors: Joshua Harris, Timothy Laurence, Leo Loman, Fan Grayson, Toby Nonnenmacher, Harry Long, Loes WalsGriffith, Amy Douglas, Holly Fountain, Stelios Georgiou, Jo Hardstaff, Kathryn Hopkins, Y-Ling Chi, Galena Kuyumdzhieva, Lesley Larkin, Samuel Collins, Hamish Mohammed, Thomas Finnie, Luke Hounsome, Steven Riley
Abstract: Advances in Large Language Models (LLMs) have led to significant interest in their potential to support human experts across a range of domains, including public health. In this work we present automated evaluations of LLMs for public health tasks involving the classification and extraction of free text. We combine six externally annotated datasets with seven new internally annotated datasets to evaluate LLMs for processing text related to: health burden, epidemiological risk factors, and public health interventions. We initially evaluate five open-weight LLMs (7-70 billion parameters) across all tasks using zero-shot in-context learning. We find that Llama-3-70B-Instruct is the highest performing model, achieving the best results on 15/17 tasks (using micro-F1 scores). We see significant variation across tasks with all open-weight LLMs scoring below 60% micro-F1 on some challenging tasks, such as Contact Classification, while all LLMs achieve greater than 80% micro-F1 on others, such as GI Illness Classification. For a subset of 12 tasks, we also evaluate GPT-4 and find comparable results to Llama-3-70B-Instruct, which scores equally or outperforms GPT-4 on 6 of the 12 tasks. Overall, based on these initial results we find promising signs that LLMs may be useful tools for public health experts to extract information from a wide variety of free text sources, and support public health surveillance, research, and interventions.
Authors: Hongyang Yang, Boyu Zhang, Neng Wang, Cheng Guo, Xiaoli Zhang, Likun Lin, Junlin Wang, Tianyu Zhou, Mao Guan, Runjia Zhang, Christina Dan Wang
Abstract: As financial institutions and professionals increasingly incorporate Large Language Models (LLMs) into their workflows, substantial barriers, including proprietary data and specialized knowledge, persist between the finance sector and the AI community. These challenges impede the AI community's ability to enhance financial tasks effectively. Acknowledging financial analysis's critical role, we aim to devise financial-specialized LLM-based toolchains and democratize access to them through open-source initiatives, promoting wider AI adoption in financial decision-making. In this paper, we introduce FinRobot, a novel open-source AI agent platform supporting multiple financially specialized AI agents, each powered by LLM. Specifically, the platform consists of four major layers: 1) the Financial AI Agents layer that formulates Financial Chain-of-Thought (CoT) by breaking sophisticated financial problems down into logical sequences; 2) the Financial LLM Algorithms layer dynamically configures appropriate model application strategies for specific tasks; 3) the LLMOps and DataOps layer produces accurate models by applying training/fine-tuning techniques and using task-relevant data; 4) the Multi-source LLM Foundation Models layer that integrates various LLMs and enables the above layers to access them directly. Finally, FinRobot provides hands-on for both professional-grade analysts and laypersons to utilize powerful AI techniques for advanced financial analysis. We open-source FinRobot at \url{https://github.com/AI4Finance-Foundation/FinRobot}.
Authors: Peng Wang, Zexi Li, Ningyu Zhang, Ziwen Xu, Yunzhi Yao, Yong Jiang, Pengjun Xie, Fei Huang, Huajun Chen
Abstract: Large language models (LLMs) need knowledge updates to meet the ever-growing world facts and correct the hallucinated responses, facilitating the methods of lifelong model editing. Where the updated knowledge resides in memories is a fundamental question for model editing. In this paper, we find that editing either long-term memory (direct model parameters) or working memory (non-parametric knowledge of neural network activations/representations by retrieval) will result in an impossible triangle -- reliability, generalization, and locality can not be realized together in the lifelong editing settings. For long-term memory, directly editing the parameters will cause conflicts with irrelevant pretrained knowledge or previous edits (poor reliability and locality). For working memory, retrieval-based activations can hardly make the model understand the edits and generalize (poor generalization). Therefore, we propose WISE to bridge the gap between memories. In WISE, we design a dual parametric memory scheme, which consists of the main memory for the pretrained knowledge and a side memory for the edited knowledge. We only edit the knowledge in the side memory and train a router to decide which memory to go through when given a query. For continual editing, we devise a knowledge-sharding mechanism where different sets of edits reside in distinct subspaces of parameters, and are subsequently merged into a shared memory without conflicts. Extensive experiments show that WISE can outperform previous model editing methods and overcome the impossible triangle under lifelong model editing of question answering, hallucination, and out-of-distribution settings across trending LLM architectures, e.g., GPT, LLaMA, and Mistral. Code will be released at https://github.com/zjunlp/EasyEdit.
Authors: Supriyo Ghosh, Sheng Zhang, Chen Cheng, Gia-Wei Chern
Abstract: We present a scalable machine learning (ML) force-field model for the adiabatic dynamics of cooperative Jahn-Teller (JT) systems. Large scale dynamical simulations of the JT model also shed light on the orbital ordering dynamics in colossal magnetoresistance manganites. The JT effect in these materials describes the distortion of local oxygen octahedra driven by a coupling to the orbital degrees of freedom of $e_g$ electrons. An effective electron-mediated interaction between the local JT modes leads to a structural transition and the emergence of long-range orbital order at low temperatures. Assuming the principle of locality, a deep-learning neural-network model is developed to accurately and efficiently predict the electron-induced forces that drive the dynamical evolution of JT phonons. A group-theoretical method is utilized to develop a descriptor that incorporates the combined orbital and lattice symmetry into the ML model. Large-scale Langevin dynamics simulations, enabled by the ML force-field models, are performed to investigate the coarsening dynamics of the composite JT distortion and orbital order after a thermal quench. The late-stage coarsening of orbital domains exhibits pronounced freezing behaviors which are likely related to the unusual morphology of the domain structures. Our work highlights a promising avenue for multi-scale dynamical modeling of correlated electron systems.
Authors: Dimitri Meunier, Zikai Shen, Mattes Mollenhauer, Arthur Gretton, Zhu Li
Abstract: We study theoretical properties of a broad class of regularized algorithms with vector-valued output. These spectral algorithms include kernel ridge regression, kernel principal component regression, various implementations of gradient descent and many more. Our contributions are twofold. First, we rigorously confirm the so-called saturation effect for ridge regression with vector-valued output by deriving a novel lower bound on learning rates; this bound is shown to be suboptimal when the smoothness of the regression function exceeds a certain level. Second, we present the upper bound for the finite sample risk general vector-valued spectral algorithms, applicable to both well-specified and misspecified scenarios (where the true regression function lies outside of the hypothesis space) which is minimax optimal in various regimes. All of our results explicitly allow the case of infinite-dimensional output variables, proving consistency of recent practical applications.
Authors: Cristian Garc\'ia-Romero, Miquel Espl\`a-Gomis, Felipe S\'anchez-Mart\'inez
Abstract: Crawling parallel texts $\unicode{x2014}$texts that are mutual translations$\unicode{x2014}$ from the Internet is usually done following a brute-force approach: documents are massively downloaded in an unguided process, and only a fraction of them end up leading to actual parallel content. In this work we propose a smart crawling method that guides the crawl towards finding parallel content more rapidly. Our approach builds on two different models: one that infers the language of a document from its URL, and another that infers whether a pair of URLs link to parallel documents. We evaluate both models in isolation and their integration into a crawling tool. The results demonstrate the individual effectiveness of both models and highlight that their combination enables the early discovery of parallel content during crawling, leading to a reduction in the amount of downloaded documents deemed useless, and yielding a greater quantity of parallel documents compared to conventional crawling approaches.
Authors: Jonas Spinner, Victor Bres\'o, Pim de Haan, Tilman Plehn, Jesse Thaler, Johann Brehmer
Abstract: Extracting scientific understanding from particle-physics experiments requires solving diverse learning problems with high precision and good data efficiency. We propose the Lorentz Geometric Algebra Transformer (L-GATr), a new multi-purpose architecture for high-energy physics. L-GATr represents high-energy data in a geometric algebra over four-dimensional space-time and is equivariant under Lorentz transformations, the symmetry group of relativistic kinematics. At the same time, the architecture is a Transformer, which makes it versatile and scalable to large systems. L-GATr is first demonstrated on regression and classification tasks from particle physics. We then construct the first Lorentz-equivariant generative model: a continuous normalizing flow based on an L-GATr network, trained with Riemannian flow matching. Across our experiments, L-GATr is on par with or outperforms strong domain-specific baselines.
Authors: Zhijing Jin, Nils Heil, Jiarui Liu, Shehzaad Dhuliawala, Yahang Qi, Bernhard Sch\"olkopf, Rada Mihalcea, Mrinmaya Sachan
Abstract: Implicit Personalization (IP) is a phenomenon of language models inferring a user's background from the implicit cues in the input prompts and tailoring the response based on this inference. While previous work has touched upon various instances of this problem, there lacks a unified framework to study this behavior. This work systematically studies IP through a rigorous mathematical formulation, a multi-perspective moral reasoning framework, and a set of case studies. Our theoretical foundation for IP relies on a structural causal model and introduces a novel method, indirect intervention, to estimate the causal effect of a mediator variable that cannot be directly intervened upon. Beyond the technical approach, we also introduce a set of moral reasoning principles based on three schools of moral philosophy to study when IP may or may not be ethically appropriate. Equipped with both mathematical and ethical insights, we present three diverse case studies illustrating the varied nature of the IP problem and offer recommendations for future research. Our code and data are at https://github.com/jiarui-liu/IP.
Authors: Dongjun Kim, Chieh-Hsin Lai, Wei-Hsiang Liao, Yuhta Takida, Naoki Murata, Toshimitsu Uesaka, Yuki Mitsufuji, Stefano Ermon
Abstract: To accelerate sampling, diffusion models (DMs) are often distilled into generators that directly map noise to data in a single step. In this approach, the resolution of the generator is fundamentally limited by that of the teacher DM. To overcome this limitation, we propose Progressive Growing of Diffusion Autoencoder (PaGoDA), a technique to progressively grow the resolution of the generator beyond that of the original teacher DM. Our key insight is that a pre-trained, low-resolution DM can be used to deterministically encode high-resolution data to a structured latent space by solving the PF-ODE forward in time (data-to-noise), starting from an appropriately down-sampled image. Using this frozen encoder in an auto-encoder framework, we train a decoder by progressively growing its resolution. From the nature of progressively growing decoder, PaGoDA avoids re-training teacher/student models when we upsample the student model, making the whole training pipeline much cheaper. In experiments, we used our progressively growing decoder to upsample from the pre-trained model's 64x64 resolution to generate 512x512 samples, achieving 2x faster inference compared to single-step distilled Stable Diffusion like LCM. PaGoDA also achieved state-of-the-art FIDs on ImageNet across all resolutions from 64x64 to 512x512. Additionally, we demonstrated PaGoDA's effectiveness in solving inverse problems and enabling controllable generation.
Authors: Anuj Apte, Anthony Ashmore, Clay Cordova, Tzu-Chen Huang
Abstract: Monte Carlo methods have led to profound insights into the strong-coupling behaviour of lattice gauge theories and produced remarkable results such as first-principles computations of hadron masses. Despite tremendous progress over the last four decades, fundamental challenges such as the sign problem and the inability to simulate real-time dynamics remain. Neural network quantum states have emerged as an alternative method that seeks to overcome these challenges. In this work, we use gauge-invariant neural network quantum states to accurately compute the ground state of $\mathbb{Z}_N$ lattice gauge theories in $2+1$ dimensions. Using transfer learning, we study the distinct topological phases and the confinement phase transition of these theories. For $\mathbb{Z}_2$, we identify a continuous transition and compute critical exponents, finding excellent agreement with existing numerics for the expected Ising universality class. In the $\mathbb{Z}_3$ case, we observe a weakly first-order transition and identify the critical coupling. Our findings suggest that neural network quantum states are a promising method for precise studies of lattice gauge theory.
Authors: Yuntian Deng, Yejin Choi, Stuart Shieber
Abstract: When leveraging language models for reasoning tasks, generating explicit chain-of-thought (CoT) steps often proves essential for achieving high accuracy in final outputs. In this paper, we investigate if models can be taught to internalize these CoT steps. To this end, we propose a simple yet effective method for internalizing CoT steps: starting with a model trained for explicit CoT reasoning, we gradually remove the intermediate steps and finetune the model. This process allows the model to internalize the intermediate reasoning steps, thus simplifying the reasoning process while maintaining high performance. Our approach enables a GPT-2 Small model to solve 9-by-9 multiplication with up to 99% accuracy, whereas standard training cannot solve beyond 4-by-4 multiplication. Furthermore, our method proves effective on larger language models, such as Mistral 7B, achieving over 50% accuracy on GSM8K without producing any intermediate steps.
Authors: Johannes Zenn, Robert Bamler
Abstract: Differentiable annealed importance sampling (DAIS), proposed by Geffner & Domke (2021) and Zhang et al. (2021), allows optimizing, among others, over the initial distribution of AIS. In this paper, we show that, in the limit of many transitions, DAIS minimizes the symmetrized KL divergence (Jensen-Shannon divergence) between the initial and target distribution. Thus, DAIS can be seen as a form of variational inference (VI) in that its initial distribution is a parametric fit to an intractable target distribution. We empirically evaluate the usefulness of the initial distribution as a variational distribution on synthetic and real-world data, observing that it often provides more accurate uncertainty estimates than standard VI (optimizing the reverse KL divergence), importance weighted VI, and Markovian score climbing (optimizing the forward KL divergence).
Authors: Jacqueline Maasch, Kyra Gan, Violet Chen, Agni Orfanoudaki, Nil-Jana Akpinar, Fei Wang
Abstract: Fairness is a critical objective in policy design and algorithmic decision-making. Identifying the causal pathways of unfairness requires knowledge of the underlying structural causal model, which may be incomplete or unavailable. This limits the practicality of causal fairness analysis in complex or low-knowledge domains. To mitigate this practicality gap, we advocate for developing efficient causal discovery methods for fairness applications. To this end, we introduce local discovery for direct discrimination (LD3): a polynomial-time algorithm that recovers structural evidence of direct discrimination. LD3 performs a linear number of conditional independence tests with respect to variable set size. Moreover, we propose a graphical criterion for identifying the weighted controlled direct effect (CDE), a qualitative measure of direct discrimination. We prove that this criterion is satisfied by the knowledge returned by LD3, increasing the accessibility of the weighted CDE as a causal fairness measure. Taking liver transplant allocation as a case study, we highlight the potential impact of LD3 for modeling fairness in complex decision systems. Results on real-world data demonstrate more plausible causal relations than baselines, which took 197x to 5870x longer to execute.
Authors: Xudong Lu, Aojun Zhou, Ziyi Lin, Qi Liu, Yuhui Xu, Renrui Zhang, Yafei Wen, Shuai Ren, Peng Gao, Junchi Yan, Hongsheng Li
Abstract: Recent developments in large-scale pre-trained text-to-image diffusion models have significantly improved the generation of high-fidelity images, particularly with the emergence of diffusion models based on transformer architecture (DiTs). Among these diffusion models, diffusion transformers have demonstrated superior image generation capabilities, boosting lower FID scores and higher scalability. However, deploying large-scale DiT models can be expensive due to their extensive parameter numbers. Although existing research has explored efficient deployment techniques for diffusion models such as model quantization, there is still little work concerning DiT-based models. To tackle this research gap, in this paper, we propose TerDiT, a quantization-aware training (QAT) and efficient deployment scheme for ternary diffusion models with transformers. We focus on the ternarization of DiT networks and scale model sizes from 600M to 4.2B. Our work contributes to the exploration of efficient deployment strategies for large-scale DiT models, demonstrating the feasibility of training extremely low-bit diffusion transformer models from scratch while maintaining competitive image generation capacities compared to full-precision models. Code will be available at https://github.com/Lucky-Lance/TerDiT.
Authors: Manoj Kumar, Neil Houlsby, Emiel Hoogeboom
Abstract: We investigate the task of adapting image generative models to different datasets without finetuneing. To this end, we introduce Semantica, an image-conditioned diffusion model capable of generating images based on the semantics of a conditioning image. Semantica is trained exclusively on web-scale image pairs, that is it receives a random image from a webpage as conditional input and models another random image from the same webpage. Our experiments highlight the expressivity of pretrained image encoders and necessity of semantic-based data filtering in achieving high-quality image generation. Once trained, it can adaptively generate new images from a dataset by simply using images from that dataset as input. We study the transfer properties of Semantica on ImageNet, LSUN Churches, LSUN Bedroom and SUN397.
Authors: Asaf Yehudai, Taelin Karidi, Gabriel Stanovsky, Ariel Goldstein, Omri Abend
Abstract: Cross-domain alignment refers to the task of mapping a concept from one domain to another. For example, ``If a \textit{doctor} were a \textit{color}, what color would it be?''. This seemingly peculiar task is designed to investigate how people represent concrete and abstract concepts through their mappings between categories and their reasoning processes over those mappings. In this paper, we adapt this task from cognitive science to evaluate the conceptualization and reasoning abilities of large language models (LLMs) through a behavioral study. We examine several LLMs by prompting them with a cross-domain mapping task and analyzing their responses at both the population and individual levels. Additionally, we assess the models' ability to reason about their predictions by analyzing and categorizing their explanations for these mappings. The results reveal several similarities between humans' and models' mappings and explanations, suggesting that models represent concepts similarly to humans. This similarity is evident not only in the model representation but also in their behavior. Furthermore, the models mostly provide valid explanations and deploy reasoning paths that are similar to those of humans.
Authors: Basile Van Hoorick, Rundi Wu, Ege Ozguroglu, Kyle Sargent, Ruoshi Liu, Pavel Tokmakov, Achal Dave, Changxi Zheng, Carl Vondrick
Abstract: Accurate reconstruction of complex dynamic scenes from just a single viewpoint continues to be a challenging task in computer vision. Current dynamic novel view synthesis methods typically require videos from many different camera viewpoints, necessitating careful recording setups, and significantly restricting their utility in the wild as well as in terms of embodied AI applications. In this paper, we propose $\textbf{GCD}$, a controllable monocular dynamic view synthesis pipeline that leverages large-scale diffusion priors to, given a video of any scene, generate a synchronous video from any other chosen perspective, conditioned on a set of relative camera pose parameters. Our model does not require depth as input, and does not explicitly model 3D scene geometry, instead performing end-to-end video-to-video translation in order to achieve its goal efficiently. Despite being trained on synthetic multi-view video data only, zero-shot real-world generalization experiments show promising results in multiple domains, including robotics, object permanence, and driving environments. We believe our framework can potentially unlock powerful applications in rich dynamic scene understanding, perception for robotics, and interactive 3D video viewing experiences for virtual reality.
Authors: Yuta Shikuri
Abstract: Gaussian process regression can flexibly represent the posterior distribution of an interest parameter given sufficient information on the likelihood. However, in some cases, we have little knowledge regarding the probability model. For example, when investing in a financial instrument, the probability model of cash flow is generally unknown. In this paper, we propose a novel framework called the likelihood-free Gaussian process (LFGP), which allows representation of the posterior distributions of interest parameters for scalable problems without directly setting their likelihood functions. The LFGP establishes clusters in which the value of the interest parameter can be considered approximately identical, and it approximates the likelihood of the interest parameter in each cluster to a Gaussian using the asymptotic normality of the maximum likelihood estimator. We expect that the proposed framework will contribute significantly to likelihood-free modeling, particularly by reducing the assumptions for the probability model and the computational costs for scalable problems.
Authors: Francisco Vargas, Ryan Cotterell
Abstract: Bolukbasi et al. (2016) presents one of the first gender bias mitigation techniques for word representations. Their method takes pre-trained word representations as input and attempts to isolate a linear subspace that captures most of the gender bias in the representations. As judged by an analogical evaluation task, their method virtually eliminates gender bias in the representations. However, an implicit and untested assumption of their method is that the bias subspace is actually linear. In this work, we generalize their method to a kernelized, nonlinear version. We take inspiration from kernel principal component analysis and derive a nonlinear bias isolation technique. We discuss and overcome some of the practical drawbacks of our method for non-linear gender bias mitigation in word representations and analyze empirically whether the bias subspace is actually linear. Our analysis shows that gender bias is in fact well captured by a linear subspace, justifying the assumption of Bolukbasi et al. (2016).
Authors: Federica Comuni, Christopher M\'esz\'aros, Niklas {\AA}kerblom, Morteza Haghir Chehreghani
Abstract: Modeling driver behavior provides several advantages in the automotive industry, including prediction of electric vehicle energy consumption. Studies have shown that aggressive driving can consume up to 30% more energy than moderate driving, in certain driving scenarios. Machine learning methods are widely used for driver behavior classification, which, however, may yield some challenges such as sequence modeling on long time windows and lack of labeled data due to expensive annotation. To address the first challenge, passive learning of driver behavior, we investigate non-recurrent architectures such as self-attention models and convolutional neural networks with joint recurrence plots (JRP), and compare them with recurrent models. We find that self-attention models yield good performance, while JRP does not exhibit any significant improvement. However, with the window lengths of 5 and 10 seconds used in our study, none of the non-recurrent models outperform the recurrent models. To address the second challenge, we investigate several active learning methods with different informativeness measures. We evaluate uncertainty sampling, as well as more advanced methods, such as query by committee and active deep dropout. Our experiments demonstrate that some active sampling techniques can outperform random sampling, and therefore decrease the effort needed for annotation.
Authors: Dongkwan Kim, Alice Oh
Abstract: Subgraph representation learning has emerged as an important problem, but it is by default approached with specialized graph neural networks on a large global graph. These models demand extensive memory and computational resources but challenge modeling hierarchical structures of subgraphs. In this paper, we propose Subgraph-To-Node (S2N) translation, a novel formulation for learning representations of subgraphs. Specifically, given a set of subgraphs in the global graph, we construct a new graph by coarsely transforming subgraphs into nodes. Demonstrating both theoretical and empirical evidence, S2N not only significantly reduces memory and computational costs compared to state-of-the-art models but also outperforms them by capturing both local and global structures of the subgraph. By leveraging graph coarsening methods, our method outperforms baselines even in a data-scarce setting with insufficient subgraphs. Our experiments on eight benchmarks demonstrate that fined-tuned models with S2N translation can process 183 -- 711 times more subgraph samples than state-of-the-art models at a better or similar performance level.
Authors: Yves Rychener, Bahar Taskesen, Daniel Kuhn
Abstract: We study supervised learning problems for predicting properties of individuals who belong to one of two demographic groups, and we seek predictors that are fair according to statistical parity. This means that the distributions of the predictions within the two groups should be close with respect to the Kolmogorov distance, and fairness is achieved by penalizing the dissimilarity of these two distributions in the objective function of the learning problem. In this paper, we showcase conceptual and computational benefits of measuring unfairness with integral probability metrics (IPMs) other than the Kolmogorov distance. Conceptually, we show that the generator of any IPM can be interpreted as a family of utility functions and that unfairness with respect to this IPM arises if individuals in the two demographic groups have diverging expected utilities. We also prove that the unfairness-regularized prediction loss admits unbiased gradient estimators if unfairness is measured by the squared $\mathcal L^2$-distance or by a squared maximum mean discrepancy. In this case, the fair learning problem is susceptible to efficient stochastic gradient descent (SGD) algorithms. Numerical experiments on real data show that these SGD algorithms outperform state-of-the-art methods for fair learning in that they achieve superior accuracy-unfairness trade-offs -- sometimes orders of magnitude faster. Finally, we identify conditions under which statistical parity can improve prediction accuracy.
Authors: Kenza Amara, Rex Ying, Zitao Zhang, Zhihao Han, Yinan Shan, Ulrik Brandes, Sebastian Schemm, Ce Zhang
Abstract: As one of the most popular machine learning models today, graph neural networks (GNNs) have attracted intense interest recently, and so does their explainability. Users are increasingly interested in a better understanding of GNN models and their outcomes. Unfortunately, today's evaluation frameworks for GNN explainability often rely on few inadequate synthetic datasets, leading to conclusions of limited scope due to a lack of complexity in the problem instances. As GNN models are deployed to more mission-critical applications, we are in dire need for a common evaluation protocol of explainability methods of GNNs. In this paper, we propose, to our best knowledge, the first systematic evaluation framework for GNN explainability, considering explainability on three different "user needs". We propose a unique metric that combines the fidelity measures and classifies explanations based on their quality of being sufficient or necessary. We scope ourselves to node classification tasks and compare the most representative techniques in the field of input-level explainability for GNNs. For the inadequate but widely used synthetic benchmarks, surprisingly shallow techniques such as personalized PageRank have the best performance for a minimum computation time. But when the graph structure is more complex and nodes have meaningful features, gradient-based methods are the best according to our evaluation criteria. However, none dominates the others on all evaluation dimensions and there is always a trade-off. We further apply our evaluation protocol in a case study for frauds explanation on eBay transaction graphs to reflect the production environment.
Authors: Shunyu Liu, Jie Song, Yihe Zhou, Na Yu, Kaixuan Chen, Zunlei Feng, Mingli Song
Abstract: Deep cooperative multi-agent reinforcement learning has demonstrated its remarkable success over a wide spectrum of complex control tasks. However, recent advances in multi-agent learning mainly focus on value decomposition while leaving entity interactions still intertwined, which easily leads to over-fitting on noisy interactions between entities. In this work, we introduce a novel interactiOn Pattern disenTangling (OPT) method, to disentangle the entity interactions into interaction prototypes, each of which represents an underlying interaction pattern within a subgroup of the entities. OPT facilitates filtering the noisy interactions between irrelevant entities and thus significantly improves generalizability as well as interpretability. Specifically, OPT introduces a sparse disagreement mechanism to encourage sparsity and diversity among discovered interaction prototypes. Then the model selectively restructures these prototypes into a compact interaction pattern by an aggregator with learnable weights. To alleviate the training instability issue caused by partial observability, we propose to maximize the mutual information between the aggregation weights and the history behaviors of each agent. Experiments on single-task, multi-task and zero-shot benchmarks demonstrate that the proposed method yields results superior to the state-of-the-art counterparts. Our code is available at https://github.com/liushunyu/OPT.
Authors: Yanhua Xu, Dominik Wojtczak
Abstract: Influenza viruses mutate rapidly and can pose a threat to public health, especially to those in vulnerable groups. Throughout history, influenza A viruses have caused pandemics between different species. It is important to identify the origin of a virus in order to prevent the spread of an outbreak. Recently, there has been increasing interest in using machine learning algorithms to provide fast and accurate predictions for viral sequences. In this study, real testing data sets and a variety of evaluation metrics were used to evaluate machine learning algorithms at different taxonomic levels. As hemagglutinin is the major protein in the immune response, only hemagglutinin sequences were used and represented by position-specific scoring matrix and word embedding. The results suggest that the 5-grams-transformer neural network is the most effective algorithm for predicting viral sequence origins, with approximately 99.54% AUCPR, 98.01% F1 score and 96.60% MCC at a higher classification level, and approximately 94.74% AUCPR, 87.41% F1 score and 80.79% MCC at a lower classification level.
Authors: Andrew Gracyk, Xiaohui Chen
Abstract: Optimal transport (OT) offers a versatile framework to compare complex data distributions in a geometrically meaningful way. Traditional methods for computing the Wasserstein distance and geodesic between probability measures require mesh-specific domain discretization and suffer from the curse-of-dimensionality. We present GeONet, a mesh-invariant deep neural operator network that learns the non-linear mapping from the input pair of initial and terminal distributions to the Wasserstein geodesic connecting the two endpoint distributions. In the offline training stage, GeONet learns the saddle point optimality conditions for the dynamic formulation of the OT problem in the primal and dual spaces that are characterized by a coupled PDE system. The subsequent inference stage is instantaneous and can be deployed for real-time predictions in the online learning setting. We demonstrate that GeONet achieves comparable testing accuracy to the standard OT solvers on simulation examples and the MNIST dataset with considerably reduced inference-stage computational cost by orders of magnitude.
Authors: Zeming Dong, Qiang Hu, Zhenya Zhang, Yuejun Guo, Maxime Cordy, Mike Papadakis, Yves Le Traon, Jianjun Zhao
Abstract: Graph neural network (GNN)-based graph learning has been popular in natural language and programming language processing, particularly in text and source code classification. Typically, GNNs are constructed by incorporating alternating layers which learn transformations of graph node features, along with graph pooling layers that use graph pooling operators (e.g., Max-pooling) to effectively reduce the number of nodes while preserving the semantic information of the graph. Recently, to enhance GNNs in graph learning tasks, Manifold-Mixup, a data augmentation technique that produces synthetic graph data by linearly mixing a pair of graph data and their labels, has been widely adopted. However, the performance of Manifold-Mixup can be highly affected by graph pooling operators, and there have not been many studies that are dedicated to uncovering such affection. To bridge this gap, we take an early step to explore how graph pooling operators affect the performance of Mixup-based graph learning. To that end, we conduct a comprehensive empirical study by applying Manifold-Mixup to a formal characterization of graph pooling based on 11 graph pooling operations (9 hybrid pooling operators, 2 non-hybrid pooling operators). The experimental results on both natural language datasets (Gossipcop, Politifact) and programming language datasets (JAVA250, Python800) demonstrate that hybrid pooling operators are more effective for Manifold-Mixup than the standard Max-pooling and the state-of-the-art graph multiset transformer (GMT) pooling, in terms of producing more accurate and robust GNN models.
Authors: Zimu Li, Zihan Pengmei, Han Zheng, Erik Thiede, Junyu Liu, Risi Kondor
Abstract: Many learning tasks, including learning potential energy surfaces from ab initio calculations, involve global spatial symmetries and permutational symmetry between atoms or general particles. Equivariant graph neural networks are a standard approach to such problems, with one of the most successful methods employing tensor products between various tensors that transform under the spatial group. However, as the number of different tensors and the complexity of relationships between them increase, maintaining parsimony and equivariance becomes increasingly challenging. In this paper, we propose using fusion diagrams, a technique widely employed in simulating SU($2$)-symmetric quantum many-body problems, to design new equivariant components for equivariant neural networks. This results in a diagrammatic approach to constructing novel neural network architectures. When applied to particles within a given local neighborhood, the resulting components, which we term "fusion blocks," serve as universal approximators of any continuous equivariant function defined in the neighborhood. We incorporate a fusion block into pre-existing equivariant architectures (Cormorant and MACE), leading to improved performance with fewer parameters on a range of challenging chemical problems. Furthermore, we apply group-equivariant neural networks to study non-adiabatic molecular dynamics of stilbene cis-trans isomerization. Our approach, which combines tensor networks with equivariant neural networks, suggests a potentially fruitful direction for designing more expressive equivariant neural networks.
Authors: Yufan Liao, Qi Wu, Zhaodi Wu, Xing Yan
Abstract: Invariant learning methods, aimed at identifying a consistent predictor across multiple environments, are gaining prominence in out-of-distribution (OOD) generalization. Yet, when environments aren't inherent in the data, practitioners must define them manually. This environment partitioning--algorithmically segmenting the training dataset into environments--crucially affects invariant learning's efficacy but remains underdiscussed. Proper environment partitioning could broaden the applicability of invariant learning and enhance its performance. In this paper, we suggest partitioning the dataset into several environments by isolating low-correlation data subsets. Through experiments with synthetic and real data, our Decorr method demonstrates superior performance in combination with invariant learning. Decorr mitigates the issue of spurious correlations, aids in identifying stable predictors, and broadens the applicability of invariant learning methods.
Authors: Alireza Hashemi, Hernan Makse
Abstract: We extend the graph convolutional network method for deep learning on graph data to higher order in terms of neighboring nodes. In order to construct representations for a node in a graph, in addition to the features of the node and its immediate neighboring nodes, we also include more distant nodes in the calculations. In experimenting with a number of publicly available citation graph datasets, we show that this higher order neighbor visiting pays off by outperforming the original model especially when we have a limited number of available labeled data points for the training of the model.
Authors: Natasa Krco, Thibault Laugel, Vincent Grari, Jean-Michel Loubes, Marcin Detyniecki
Abstract: Most research on fair machine learning has prioritized optimizing criteria such as Demographic Parity and Equalized Odds. Despite these efforts, there remains a limited understanding of how different bias mitigation strategies affect individual predictions and whether they introduce arbitrariness into the debiasing process. This paper addresses these gaps by exploring whether models that achieve comparable fairness and accuracy metrics impact the same individuals and mitigate bias in a consistent manner. We introduce the FRAME (FaiRness Arbitrariness and Multiplicity Evaluation) framework, which evaluates bias mitigation through five dimensions: Impact Size (how many people were affected), Change Direction (positive versus negative changes), Decision Rates (impact on models' acceptance rates), Affected Subpopulations (who was affected), and Neglected Subpopulations (where unfairness persists). This framework is intended to help practitioners understand the impacts of debiasing processes and make better-informed decisions regarding model selection. Applying FRAME to various bias mitigation approaches across key datasets allows us to exhibit significant differences in the behaviors of debiasing methods. These findings highlight the limitations of current fairness criteria and the inherent arbitrariness in the debiasing process.
Authors: Motasem Alfarra, Hani Itani, Alejandro Pardo, Shyma Alhuwaider, Merey Ramazanova, Juan C. P\'erez, Zhipeng Cai, Matthias M\"uller, Bernard Ghanem
Abstract: This paper proposes a novel online evaluation protocol for Test Time Adaptation (TTA) methods, which penalizes slower methods by providing them with fewer samples for adaptation. TTA methods leverage unlabeled data at test time to adapt to distribution shifts. Although many effective methods have been proposed, their impressive performance usually comes at the cost of significantly increased computation budgets. Current evaluation protocols overlook the effect of this extra computation cost, affecting their real-world applicability. To address this issue, we propose a more realistic evaluation protocol for TTA methods, where data is received in an online fashion from a constant-speed data stream, thereby accounting for the method's adaptation speed. We apply our proposed protocol to benchmark several TTA methods on multiple datasets and scenarios. Extensive experiments show that, when accounting for inference speed, simple and fast approaches can outperform more sophisticated but slower methods. For example, SHOT from 2020, outperforms the state-of-the-art method SAR from 2023 in this setting. Our results reveal the importance of developing practical TTA methods that are both accurate and efficient.
Authors: Gen Li, Yuling Yan, Yuxin Chen, Jianqing Fan
Abstract: This paper studies reward-agnostic exploration in reinforcement learning (RL) -- a scenario where the learner is unware of the reward functions during the exploration stage -- and designs an algorithm that improves over the state of the art. More precisely, consider a finite-horizon inhomogeneous Markov decision process with $S$ states, $A$ actions, and horizon length $H$, and suppose that there are no more than a polynomial number of given reward functions of interest. By collecting an order of \begin{align*} \frac{SAH^3}{\varepsilon^2} \text{ sample episodes (up to log factor)} \end{align*} without guidance of the reward information, our algorithm is able to find $\varepsilon$-optimal policies for all these reward functions, provided that $\varepsilon$ is sufficiently small. This forms the first reward-agnostic exploration scheme in this context that achieves provable minimax optimality. Furthermore, once the sample size exceeds $\frac{S^2AH^3}{\varepsilon^2}$ episodes (up to log factor), our algorithm is able to yield $\varepsilon$ accuracy for arbitrarily many reward functions (even when they are adversarially designed), a task commonly dubbed as ``reward-free exploration.'' The novelty of our algorithm design draws on insights from offline RL: the exploration scheme attempts to maximize a critical reward-agnostic quantity that dictates the performance of offline RL, while the policy learning paradigm leverages ideas from sample-optimal offline RL paradigms.
Authors: Kentaro Kanamori, Takuya Takagi, Ken Kobayashi, Yuichi Ike
Abstract: This paper proposes a new framework of algorithmic recourse (AR) that works even in the presence of missing values. AR aims to provide a recourse action for altering the undesired prediction result given by a classifier. Existing AR methods assume that we can access complete information on the features of an input instance. However, we often encounter missing values in a given instance (e.g., due to privacy concerns), and previous studies have not discussed such a practical situation. In this paper, we first empirically and theoretically show the risk that a naive approach with a single imputation technique fails to obtain good actions regarding their validity, cost, and features to be changed. To alleviate this risk, we formulate the task of obtaining a valid and low-cost action for a given incomplete instance by incorporating the idea of multiple imputation. Then, we provide some theoretical analyses of our task and propose a practical solution based on mixed-integer linear optimization. Experimental results demonstrated the efficacy of our method in the presence of missing values compared to the baselines.
Authors: Yongqiang Cai
Abstract: In recent years, deep learning-based sequence modelings, such as language models, have received much attention and success, which pushes researchers to explore the possibility of transforming non-sequential problems into a sequential form. Following this thought, deep neural networks can be represented as composite functions of a sequence of mappings, linear or nonlinear, where each composition can be viewed as a \emph{word}. However, the weights of linear mappings are undetermined and hence require an infinite number of words. In this article, we investigate the finite case and constructively prove the existence of a finite \emph{vocabulary} $V=\{\phi_i: \mathbb{R}^d \to \mathbb{R}^d | i=1,...,n\}$ with $n=O(d^2)$ for the universal approximation. That is, for any continuous mapping $f: \mathbb{R}^d \to \mathbb{R}^d$, compact domain $\Omega$ and $\varepsilon>0$, there is a sequence of mappings $\phi_{i_1}, ..., \phi_{i_m} \in V, m \in \mathbb{Z}_+$, such that the composition $\phi_{i_m} \circ ... \circ \phi_{i_1} $ approximates $f$ on $\Omega$ with an error less than $\varepsilon$. Our results demonstrate an unusual approximation power of mapping compositions and motivate a novel compositional model for regular languages.
Authors: Yifan Hong, Chen Wang
Abstract: Humans can categorize with only a few samples despite the numerous features. To mimic this ability, we propose a novel dimension-reduced category representation using a mixture of probabilistic principal component analyzers (mPPCA). Tests on the ${\tt CIFAR-10H}$ dataset demonstrate that mPPCA with only a single principal component for each category effectively predicts human categorization of natural images. We further impose a hierarchical prior on mPPCA to account for new category generalization. mPPCA captures human behavior in our experiments on images with simple size-color combinations. We also provide sufficient and necessary conditions when reducing dimensions in categorization is rational.
Authors: Wenlin Chen, Hong Ge
Abstract: We introduce a novel approach for analyzing the training dynamics of ReLU networks by examining the characteristic activation boundaries of individual ReLU neurons. Our proposed analysis reveals a critical instability in common neural network parameterizations and normalizations during stochastic optimization, which impedes fast convergence and hurts generalization performance. Addressing this, we propose Geometric Parameterization (GmP), a novel neural network parameterization technique that effectively separates the radial and angular components of weights in the hyperspherical coordinate system. We show theoretically that GmP resolves the aforementioned instability issue. We report empirical results on various models and benchmarks to verify GmP's theoretical advantages of optimization stability, convergence speed and generalization performance.
Authors: Christian H. X. Ali Mehmeti-G\"opel, Michael Wand
Abstract: Recent studies have shown that high disparities in effective learning rates (ELRs) across layers in deep neural networks can negatively affect trainability. We formalize how these disparities evolve over time by modeling weight dynamics (evolution of expected gradient and weight norms) of networks with normalization layers, predicting the evolution of layer-wise ELR ratios. We prove that when training with any constant learning rate, ELR ratios converge to 1, despite initial gradient explosion. We identify a ``critical learning rate" beyond which ELR disparities widen, which only depends on current ELRs. To validate our findings, we devise a hyper-parameter-free warm-up method that successfully minimizes ELR spread quickly in theory and practice. Our experiments link ELR spread with trainability, a relationship that is most evident in very deep networks with significant gradient magnitude excursions.
Authors: Renato De Leone, Francesca Maggioni, Andrea Spinelli
Abstract: In this paper, we present novel Twin Parametric Margin Support Vector Machine (TPMSVM) models to tackle the problem of multiclass classification. We explore the cases of linear and nonlinear classifiers and propose two possible alternatives for the final decision function. Since real-world observations are plagued by measurement errors and noise, data uncertainties need to be considered in the optimization models. For this reason, we construct bounded-by-norm uncertainty sets around each sample and derive the robust counterpart of deterministic models by means of robust optimization techniques. Finally, we test the proposed TPMSVM methodology on real-world datasets, showing the good performance of the approach.
Authors: Lorenz Richter, Julius Berner
Abstract: Recently, a series of papers proposed deep learning-based approaches to sample from target distributions using controlled diffusion processes, being trained only on the unnormalized target densities without access to samples. Building on previous work, we identify these approaches as special cases of a generalized Schr\"odinger bridge problem, seeking a stochastic evolution between a given prior distribution and the specified target. We further generalize this framework by introducing a variational formulation based on divergences between path space measures of time-reversed diffusion processes. This abstract perspective leads to practical losses that can be optimized by gradient-based algorithms and includes previous objectives as special cases. At the same time, it allows us to consider divergences other than the reverse Kullback-Leibler divergence that is known to suffer from mode collapse. In particular, we propose the so-called log-variance loss, which exhibits favorable numerical properties and leads to significantly improved performance across all considered approaches.
Authors: Jayanta Mandi, James Kotary, Senne Berden, Maxime Mulamba, Victor Bucarey, Tias Guns, Ferdinando Fioretto
Abstract: Decision-focused learning (DFL) is an emerging paradigm that integrates machine learning (ML) and constrained optimization to enhance decision quality by training ML models in an end-to-end system. This approach shows significant potential to revolutionize combinatorial decision-making in real-world applications that operate under uncertainty, where estimating unknown parameters within decision models is a major challenge. This paper presents a comprehensive review of DFL, providing an in-depth analysis of both gradient-based and gradient-free techniques used to combine ML and constrained optimization. It evaluates the strengths and limitations of these techniques and includes an extensive empirical evaluation of eleven methods across seven problems. The survey also offers insights into recent advancements and future research directions in DFL. Code and benchmark: https://github.com/PredOpt/predopt-benchmarks
Authors: Zihan Zhang, Yuxin Chen, Jason D. Lee, Simon S. Du
Abstract: A central issue lying at the heart of online reinforcement learning (RL) is data efficiency. While a number of recent works achieved asymptotically minimal regret in online RL, the optimality of these results is only guaranteed in a ``large-sample'' regime, imposing enormous burn-in cost in order for their algorithms to operate optimally. How to achieve minimax-optimal regret without incurring any burn-in cost has been an open problem in RL theory. We settle this problem for the context of finite-horizon inhomogeneous Markov decision processes. Specifically, we prove that a modified version of Monotonic Value Propagation (MVP), a model-based algorithm proposed by \cite{zhang2020reinforcement}, achieves a regret on the order of (modulo log factors) \begin{equation*} \min\big\{ \sqrt{SAH^3K}, \,HK \big\}, \end{equation*} where $S$ is the number of states, $A$ is the number of actions, $H$ is the planning horizon, and $K$ is the total number of episodes. This regret matches the minimax lower bound for the entire range of sample size $K\geq 1$, essentially eliminating any burn-in requirement. It also translates to a PAC sample complexity (i.e., the number of episodes needed to yield $\varepsilon$-accuracy) of $\frac{SAH^3}{\varepsilon^2}$ up to log factor, which is minimax-optimal for the full $\varepsilon$-range. Further, we extend our theory to unveil the influences of problem-dependent quantities like the optimal value/cost and certain variances. The key technical innovation lies in the development of a new regret decomposition strategy and a novel analysis paradigm to decouple complicated statistical dependency -- a long-standing challenge facing the analysis of online RL in the sample-hungry regime.
Authors: Hamidreza Behjoo, Michael Chertkov
Abstract: We explore diffusion models of AI, which consist of a forward noise-injecting process and a reverse de-noising process, to understand how they encode information about the Ground Truth (GT) samples in the score-function. Our observations indicate that the most essential information is stored primarily during the early stages of the forward process. Consequently, we propose the U-turn diffusion model, which modifies the traditional approach by shortening the duration of both the forward process and the subsequent reverse dynamics, starting from the final configuration of the forward process. To determine the optimal moment for the U-turn, ensuring that synthetic samples generated at the end of the reverse process are independently and identically distributed (i.i.d.) according to the probability distribution implicitly represented by the GT samples, we utilize various analytical tools, including auto-correlation analysis and the Kolmogorov-Smirnov Gaussianity test. Our experiments with the ImageNet demonstrate that the U-turn diffusion model achieves state-of-the-art Fr\'echet Inception Distance scores with fewer Neural Function Evaluations. Notably, we achieve a 1.35-fold speed-up in inference without the need for retraining.
Authors: Clara Macabiau, Thanh-Dung Le, Kevin Albert, Mana Shahriari, Philippe Jouvet, Rita Noumeir
Abstract: This study aimed to investigate the application of label propagation techniques to propagate labels among photoplethysmogram (PPG) signals, particularly in imbalanced class scenarios and limited data availability scenarios, where clean PPG samples are significantly outnumbered by artifact-contaminated samples. We investigated a dataset comprising PPG recordings from 1571 patients, wherein approximately 82% of the samples were identified as clean, while the remaining 18% were contaminated by artifacts. Our research compares the performance of supervised classifiers, such as conventional classifiers and neural networks (Multi-Layer Perceptron (MLP), Transformers, Fully Convolutional Network (FCN)), with the semi-supervised Label Propagation (LP) algorithm for artifact classification in PPG signals. The results indicate that the LP algorithm achieves a precision of 91%, a recall of 90%, and an F1 score of 90% for the "artifacts" class, showcasing its effectiveness in annotating a medical dataset, even in cases where clean samples are rare. Although the K-Nearest Neighbors (KNN) supervised model demonstrated good results with a precision of 89%, a recall of 95%, and an F1 score of 92%, the semi-supervised algorithm excels in artifact detection. In the case of imbalanced and limited pediatric intensive care environment data, the semi-supervised LP algorithm is promising for artifact detection in PPG signals. The results of this study are important for improving the accuracy of PPG-based health monitoring, particularly in situations in which motion artifacts pose challenges to data interpretation
Authors: Wei Huang, Haotong Qin, Yangdong Liu, Jingzhuo Liang, Yulun Zhang, Ying Li, Xianglong Liu
Abstract: Low-bit quantization emerges as one of the most promising compression approaches for deploying deep neural networks on edge devices. Mixed-precision quantization leverages a mixture of bit-widths to unleash the accuracy and efficiency potential of quantized models. However, existing mixed-precision quantization methods rely on simulations in high-performance devices to achieve accuracy and efficiency trade-offs in immense search spaces. This leads to a non-negligible gap between the estimated efficiency metrics and the actual hardware that makes quantized models far away from the optimal accuracy and efficiency, and also causes the quantization process to rely on additional high-performance devices. In this paper, we propose an On-Chip Hardware-Aware Quantization (OHQ) framework, performing hardware-aware mixed-precision quantization on deployed edge devices to achieve accurate and efficient computing. Specifically, for efficiency metrics, we built an On-Chip Quantization Aware pipeline, which allows the quantization process to perceive the actual hardware efficiency of the quantization operator and avoid optimization errors caused by inaccurate simulation. For accuracy metrics, we propose Mask-Guided Quantization Estimation technology to effectively estimate the accuracy impact of operators in the on-chip scenario, getting rid of the dependence of the quantization process on high computing power. By synthesizing insights from quantized models and hardware through linear optimization, we can obtain optimized bit-width configurations to achieve outstanding performance on accuracy and efficiency. We evaluate inference accuracy and acceleration with quantization for various architectures and compression ratios on hardware. OHQ achieves 70% and 73% accuracy for ResNet-18 and MobileNetV3, respectively, and can reduce latency by 15~30% compared to INT8 on real deployment.
Authors: Flavio Figueiredo, Jos\'e Geraldo Fernandes, Jackson Silva, Renato M. Assun\c{c}\~ao
Abstract: Copulas are powerful statistical tools for capturing dependencies across data dimensions. Applying Copulas involves estimating independent marginals, a straightforward task, followed by the much more challenging task of determining a single copulating function, $C$, that links these marginals. For bivariate data, a copula takes the form of a two-increasing function $C: (u,v)\in \mathbb{I}^2 \rightarrow \mathbb{I}$, where $\mathbb{I} = [0, 1]$. This paper proposes 2-Cats, a Neural Network (NN) model that learns two-dimensional Copulas without relying on specific Copula families (e.g., Archimedean). Furthermore, via both theoretical properties of the model and a Lagrangian training approach, we show that 2-Cats meets the desiderata of Copula properties. Moreover, inspired by the literature on Physics-Informed Neural Networks and Sobolev Training, we further extend our training strategy to learn not only the output of a Copula but also its derivatives. Our proposed method exhibits superior performance compared to the state-of-the-art across various datasets while respecting (provably for most and approximately for a single other) properties of C.
Authors: Christopher P. Ley, Felipe Tobar
Abstract: We introduce the asynchronous graph generator (AGG), a novel graph attention network for imputation and prediction of multi-channel time series. Free from recurrent components or assumptions about temporal/spatial regularity, AGG encodes measurements, timestamps and channel-specific features directly in the nodes via learnable embeddings. Through an attention mechanism, these embeddings allow for discovering expressive relationships among the variables of interest in the form of a homogeneous graph. Once trained, AGG performs imputation by \emph{conditional attention generation}, i.e., by creating a new node conditioned on given timestamps and channel specification. The proposed AGG is compared to related methods in the literature and its performance is analysed from a data augmentation perspective. Our experiments reveal that AGG achieved state-of-the-art results in time series imputation, classification and prediction for the benchmark datasets \emph{Beijing Air Quality}, \emph{PhysioNet ICU 2012} and \emph{UCI localisation}, outperforming other recent attention-based networks.
Authors: Jiashu He, Charilaos I. Kanatsoulis, Alejandro Ribeiro
Abstract: Network alignment is the task of establishing one-to-one correspondences between the nodes of different graphs and finds a plethora of applications in high-impact domains. However, this task is known to be NP-hard in its general form, and existing algorithms do not scale up as the size of the graphs increases. To tackle both challenges we propose a novel generalized graph autoencoder architecture, designed to extract powerful and robust node embeddings, that are tailored to the alignment task. We prove that the generated embeddings are associated with the eigenvalues and eigenvectors of the graphs and can achieve more accurate alignment compared to classical spectral methods. Our proposed framework also leverages transfer learning and data augmentation to achieve efficient network alignment at a very large scale without retraining. Extensive experiments on both network and sub-network alignment with real-world graphs provide corroborating evidence supporting the effectiveness and scalability of the proposed approach.
Authors: Minxing Zhang, Michael Backes, Xiao Zhang
Abstract: This paper revisits the robust overfitting phenomenon of adversarial training. Observing that models with better robust generalization performance are less certain in predicting adversarially generated training inputs, we argue that overconfidence in predicting adversarial examples is a potential cause. Therefore, we hypothesize that generating less certain adversarial examples improves robust generalization, and propose a formal definition of adversarial certainty that captures the variance of the model's predicted logits on adversarial examples. Our theoretical analysis of synthetic distributions characterizes the connection between adversarial certainty and robust generalization. Accordingly, built upon the notion of adversarial certainty, we develop a general method to search for models that can generate training-time adversarial inputs with reduced certainty, while maintaining the model's capability in distinguishing adversarial examples. Extensive experiments on image benchmarks demonstrate that our method effectively learns models with consistently improved robustness and mitigates robust overfitting, confirming the importance of generating less certain adversarial examples for robust generalization.
Authors: Amr Abourayya, Jens Kleesiek, Kanishka Rao, Erman Ayday, Bharat Rao, Geoff Webb, Michael Kamp
Abstract: In many critical applications, sensitive data is inherently distributed and cannot be centralized due to privacy concerns. A wide range of federated learning approaches have been proposed in the literature to train models locally at each client without sharing their sensitive local data. Most of these approaches either share local model parameters, soft predictions on a public dataset, or a combination of both. This, however, still discloses private information and restricts local models to those that lend themselves to training via gradient-based methods. To reduce the amount of shared information, we propose to share only hard labels on a public unlabeled dataset, and use a consensus over the shared labels as a pseudo-labeling to be used by clients. The resulting federated co-training approach empirically improves privacy substantially, without compromising on model quality. At the same time, it allows us to use local models that do not lend themselves to the parameter aggregation used in federated learning, such as (gradient boosted) decision trees, rule ensembles, and random forests.
Authors: Junjie Xu, Enyan Dai, Dongsheng Luo, Xiang Zhang, Suhang Wang
Abstract: Spectral Graph Neural Networks (GNNs) are gaining attention for their ability to surpass the limitations of message-passing GNNs. They rely on supervision from downstream tasks to learn spectral filters that capture the graph signal's useful frequency information. However, some works empirically show that the preferred graph frequency is related to the graph homophily level. This relationship between graph frequency and graphs with homophily/heterophily has not been systematically analyzed and considered in existing spectral GNNs. To mitigate this gap, we conduct theoretical and empirical analyses revealing a positive correlation between low-frequency importance and the homophily ratio, and a negative correlation between high-frequency importance and the homophily ratio. Motivated by this, we propose shape-aware regularization on a Newton Interpolation-based spectral filter that can (i) learn an arbitrary polynomial spectral filter and (ii) incorporate prior knowledge about the desired shape of the corresponding homophily level. Comprehensive experiments demonstrate that NewtonNet can achieve graph spectral filters with desired shapes and superior performance on both homophilous and heterophilous datasets.
Authors: Aneesh Komanduri, Xintao Wu, Yongkai Wu, Feng Chen
Abstract: Deep generative models have shown tremendous capability in data density estimation and data generation from finite samples. While these models have shown impressive performance by learning correlations among features in the data, some fundamental shortcomings are their lack of explainability, tendency to induce spurious correlations, and poor out-of-distribution extrapolation. To remedy such challenges, recent work has proposed a shift toward causal generative models. Causal models offer several beneficial properties to deep generative models, such as distribution shift robustness, fairness, and interpretability. Structural causal models (SCMs) describe data-generating processes and model complex causal relationships and mechanisms among variables in a system. Thus, SCMs can naturally be combined with deep generative models. We provide a technical survey on causal generative modeling categorized into causal representation learning and controllable counterfactual generation methods. We focus on fundamental theory, methodology, drawbacks, datasets, and metrics. Then, we cover applications of causal generative models in fairness, privacy, out-of-distribution generalization, precision medicine, and biological sciences. Lastly, we discuss open problems and fruitful research directions for future work in the field.
Authors: Jordi Cerd\`a-Bautista, Jos\'e Mar\'ia T\'arraga, Vasileios Sitokonstantinou, Gustau Camps-Valls
Abstract: In the face of climate change-induced droughts, vulnerable regions encounter severe threats to food security, demanding urgent humanitarian assistance. This paper introduces a causal inference framework for the Horn of Africa, aiming to assess the impact of cash-based interventions on food crises. Our contributions include identifying causal relationships within the food security system, harmonizing a comprehensive database including socio-economic, weather and remote sensing data, and estimating the causal effect of humanitarian interventions on malnutrition. On a country level, our results revealed no significant effects, likely due to limited sample size, suboptimal data quality, and an imperfect causal graph resulting from our limited understanding of multidisciplinary systems like food security. Instead, on a district level, results revealed significant effects, further implying the context-specific nature of the system. This underscores the need to enhance data collection and refine causal models with domain experts for more effective future interventions and policies, improving transparency and accountability in humanitarian aid.
Authors: Lihang Liu, Shanzhuo Zhang, Donglong He, Xianbin Ye, Jingbo Zhou, Xiaonan Zhang, Yaoyao Jiang, Weiming Diao, Hang Yin, Hua Chai, Fan Wang, Jingzhou He, Liang Zheng, Yonghui Li, Xiaomin Fang
Abstract: Protein-ligand structure prediction is an essential task in drug discovery, predicting the binding interactions between small molecules (ligands) and target proteins (receptors). Recent advances have incorporated deep learning techniques to improve the accuracy of protein-ligand structure prediction. Nevertheless, the experimental validation of docking conformations remains costly, it raises concerns regarding the generalizability of these deep learning-based methods due to the limited training data. In this work, we show that by pre-training on a large-scale docking conformation generated by traditional physics-based docking tools and then fine-tuning with a limited set of experimentally validated receptor-ligand complexes, we can obtain a protein-ligand structure prediction model with outstanding performance. Specifically, this process involved the generation of 100 million docking conformations for protein-ligand pairings, an endeavor consuming roughly 1 million CPU core days. The proposed model, HelixDock, aims to acquire the physical knowledge encapsulated by the physics-based docking tools during the pre-training phase. HelixDock has been rigorously benchmarked against both physics-based and deep learning-based baselines, demonstrating its exceptional precision and robust transferability in predicting binding confirmation. In addition, our investigation reveals the scaling laws governing pre-trained protein-ligand structure prediction models, indicating a consistent enhancement in performance with increases in model parameters and the volume of pre-training data. Moreover, we applied HelixDock to several drug discovery-related tasks to validate its practical utility. HelixDock demonstrates outstanding capabilities on both cross-docking and structure-based virtual screening benchmarks.
Authors: Eric Price, Yihan Zhou
Abstract: For some hypothesis classes and input distributions, active agnostic learning needs exponentially fewer samples than passive learning; for other classes and distributions, it offers little to no improvement. The most popular algorithms for agnostic active learning express their performance in terms of a parameter called the disagreement coefficient, but it is known that these algorithms are inefficient on some inputs. We take a different approach to agnostic active learning, getting an algorithm that is competitive with the optimal algorithm for any binary hypothesis class $H$ and distribution $D_X$ over $X$. In particular, if any algorithm can use $m^*$ queries to get $O(\eta)$ error, then our algorithm uses $O(m^* \log |H|)$ queries to get $O(\eta)$ error. Our algorithm lies in the vein of the splitting-based approach of Dasgupta [2004], which gets a similar result for the realizable ($\eta = 0$) setting. We also show that it is NP-hard to do better than our algorithm's $O(\log |H|)$ overhead in general.
Authors: Simon Lermen, Charlie Rogers-Smith, Jeffrey Ladish
Abstract: AI developers often apply safety alignment procedures to prevent the misuse of their AI systems. For example, before Meta released Llama 2-Chat - a collection of instruction fine-tuned large language models - they invested heavily in safety training, incorporating extensive red-teaming and reinforcement learning from human feedback. We explore the robustness of safety training in language models by subversively fine-tuning Llama 2-Chat. We employ quantized low-rank adaptation (LoRA) as an efficient fine-tuning method. With a budget of less than \$200 and using only one GPU, we successfully undo the safety training of Llama 2-Chat models of sizes 7B, 13B, and 70B and on the Mixtral instruct model. Specifically, our fine-tuning technique significantly reduces the rate at which the model refuses to follow harmful instructions. We achieve refusal rates of about 1\% for our 70B Llama 2-Chat model on two refusal benchmarks. Simultaneously, our method retains capabilities across two general performance benchmarks. We show that subversive fine-tuning is practical and effective, and hence argue that evaluating risks from fine-tuning should be a core part of risk assessments for releasing model weights. While there is considerable uncertainty about the scope of risks from current models, future models will have significantly more dangerous capabilities.
Authors: Borui Zhang, Baotong Tian, Wenzhao Zheng, Jie Zhou, Jiwen Lu
Abstract: Shapley values have emerged as a widely accepted and trustworthy tool, grounded in theoretical axioms, for addressing challenges posed by black-box models like deep neural networks. However, computing Shapley values encounters exponential complexity as the number of features increases. Various approaches, including ApproSemivalue, KernelSHAP, and FastSHAP, have been explored to expedite the computation. In our analysis of existing approaches, we observe that stochastic estimators can be unified as a linear transformation of randomly summed values from feature subsets. Based on this, we investigate the possibility of designing simple amortized estimators and propose a straightforward and efficient one, SimSHAP, by eliminating redundant techniques. Extensive experiments conducted on tabular and image datasets validate the effectiveness of our SimSHAP, which significantly accelerates the computation of accurate Shapley values.
Authors: Litian Liu, Yao Qin
Abstract: Efficient and versatile Out-of-Distribution (OOD) detection is essential for the safe deployment of AI yet remains challenging for existing algorithms. Inspired by Neural Collapse, we discover that features of in-distribution (ID) samples cluster closer to the weight vectors compared to features of OOD samples. In addition, we reveal that ID features tend to expand in space to structure a simplex Equiangular Tight Framework, which nicely explains the prevalent observation that ID features reside further from the origin than OOD features. Taking both insights from Neural Collapse into consideration, we propose to leverage feature proximity to weight vectors for OOD detection and further complement this perspective by using feature norms to filter OOD samples. Extensive experiments on off-the-shelf models demonstrate the efficiency and effectiveness of our method across diverse classification tasks and model architectures, enhancing the generalization capability of OOD detection.
Authors: Yiming Qin, Clement Vignac, Pascal Frossard
Abstract: Generative graph models struggle to scale due to the need to predict the existence or type of edges between all node pairs. To address the resulting quadratic complexity, existing scalable models often impose restrictive assumptions such as a cluster structure within graphs, thus limiting their applicability. To address this, we introduce SparseDiff, a novel diffusion model based on the observation that almost all large graphs are sparse. By selecting a subset of edges, SparseDiff effectively leverages sparse graph representations both during the noising process and within the denoising network, which ensures that space complexity scales linearly with the number of chosen edges. During inference, SparseDiff progressively fills the adjacency matrix with the selected subsets of edges, mirroring the training process. Our model demonstrates state-of-the-art performance across multiple metrics on both small and large datasets, confirming its effectiveness and robustness across varying graph sizes. It also ensures faster convergence, particularly on larger graphs, achieving a fourfold speedup on the large Ego dataset compared to dense models, thereby paving the way for broader applications.
Authors: Zhipeng Yao, Guiyuan Fu, Ying Li, Yu Zhang, Dazhou Li, Rui Yu
Abstract: In deep learning, stochastic gradient descent (SGD) and its momentum-based variants are widely used for optimization, but they typically suffer from slow convergence. Conversely, existing adaptive learning rate optimizers speed up convergence but often compromise generalization. To resolve this issue, we propose a novel optimization method designed to accelerate SGD's convergence without sacrificing generalization. Our approach reduces the variance of the historical gradient, improves first-order moment estimation of SGD by applying Wiener filter theory, and introduces a time-varying adaptive gain. Empirical results demonstrate that SGDF (SGD with Filter) effectively balances convergence and generalization compared to state-of-the-art optimizers.
Authors: Xuan Li, Zhanke Zhou, Jianing Zhu, Jiangchao Yao, Tongliang Liu, Bo Han
Abstract: Despite remarkable success in various applications, large language models (LLMs) are vulnerable to adversarial jailbreaks that make the safety guardrails void. However, previous studies for jailbreaks usually resort to brute-force optimization or extrapolations of a high computation cost, which might not be practical or effective. In this paper, inspired by the Milgram experiment w.r.t. the authority power for inciting harmfulness, we disclose a lightweight method, termed as DeepInception, which can hypnotize an LLM to be a jailbreaker. Specifically, DeepInception leverages the personification ability of LLM to construct a virtual, nested scene to jailbreak, which realizes an adaptive way to escape the usage control in a normal scenario. Empirically, DeepInception can achieve competitive jailbreak success rates with previous counterparts and realize a continuous jailbreak in subsequent interactions, which reveals the critical weakness of self-losing on both open-source and closed-source LLMs like Falcon, Vicuna-v1.5, Llama-2, GPT-3.5, and GPT-4. The code is publicly available at: https://github.com/tmlr-group/DeepInception.
Authors: Sotiris Anagnostidis, Gregor Bachmann, Imanol Schlag, Thomas Hofmann
Abstract: In recent years, the state-of-the-art in deep learning has been dominated by very large models that have been pre-trained on vast amounts of data. The paradigm is very simple: investing more computational resources (optimally) leads to better performance, and even predictably so; neural scaling laws have been derived that accurately forecast the performance of a network for a desired level of compute. This leads to the notion of a `compute-optimal' model, i.e. a model that allocates a given level of compute during training optimally to maximize performance. In this work, we extend the concept of optimality by allowing for an `adaptive' model, i.e. a model that can change its shape during training. By doing so, we can design adaptive models that optimally traverse between the underlying scaling laws and outpace their `static' counterparts, leading to a significant reduction in the required compute to reach a given target performance. We show that our approach generalizes across modalities and different shape parameters.
Authors: Stella Ho, Ming Liu, Shang Gao, Longxiang Gao
Abstract: Continual learning strives to ensure stability in solving previously seen tasks while demonstrating plasticity in a novel domain. Recent advances in CL are mostly confined to a supervised learning setting, especially in NLP domain. In this work, we consider a few-shot continual active learning (CAL) setting where labeled data are inadequate, and unlabeled data are abundant but with a limited annotation budget. We propose a simple but efficient method, Meta-Continual Active Learning. This method sequentially selects the most informative examples from a pool of unlabeled data and requests labels to enhance performance. Specifically, we employ meta-learning and experience replay to address inter-task confusion and catastrophic forgetting. We further incorporate textual augmentations to ensure generalization. We conduct extensive experiments on benchmark text classification datasets to validate the effectiveness of the proposed method and analyze the effect of different active learning strategies in few-shot CAL setting. Our experimental results demonstrate that random sampling is the best default strategy for active learning and memory sample selection to solve few-shot CAL problems.
Authors: Bijan Mazaheri, Siddharth Jain, Matthew Cook, Jehoshua Bruck
Abstract: We explore what we call ``omitted label contexts,'' in which training data is limited to a subset of the possible labels. This setting is common among specialized human experts or specific focused studies. We lean on well-studied paradoxes (Simpson's and Condorcet) to illustrate the more general difficulties of causal inference in omitted label contexts. Contrary to the fundamental principles on which much of causal inference is built, we show that ``correct'' adjustments sometimes require non-exchangeable treatment and control groups. These pitfalls lead us to the study networks of conclusions drawn from different contexts and the structures the form, proving an interesting connection between these networks and social choice theory.
Authors: Bijan Mazaheri, Spencer Gordon, Yuval Rabani, Leonard Schulman
Abstract: An acyclic causal structure can be described using a directed acyclic graph (DAG) with arrows indicating causation. The task of learning this structure from data is known as "causal discovery." Diverse populations or changing environments can sometimes give rise to heterogeneous data. This heterogeneity can be thought of as a mixture model with multiple "sources," each exerting their own distinct signature on the observed variables. From this perspective, the source is a latent common cause for every observed variable. While some methods for causal discovery are able to work around unobserved confounding in special cases, the only known ways to deal with a global confounder (such as a latent class) involve parametric assumptions. Focusing on discrete observables, we demonstrate that globally confounded causal structures can still be identifiable without parametric assumptions, so long as the number of latent classes remains small relative to the size and sparsity of the underlying DAG.
Authors: Victor Croisfelt, Shashi Raj Pandey, Osvaldo Simeone, Petar Popovski
Abstract: Conventional retransmission (ARQ) protocols are designed with the goal of ensuring the correct reception of all the individual transmitter's packets at the receiver. When the transmitter is a learner communicating with a teacher, this goal is at odds with the actual aim of the learner, which is that of eliciting the most relevant label information from the teacher. Taking an active learning perspective, this paper addresses the following key protocol design questions: (i) Active batch selection: Which batch of inputs should be sent to the teacher to acquire the most useful information and thus reduce the number of required communication rounds? (ii) Batch encoding: Can batches of data points be combined to reduce the communication resources required at each communication round? Specifically, this work introduces Communication-Constrained Bayesian Active Knowledge Distillation (CC-BAKD), a novel protocol that integrates Bayesian active learning with compression via a linear mix-up mechanism. Comparisons with existing active learning protocols demonstrate the advantages of the proposed approach.
Authors: Aishwarya Mandyam, Matthew J\"orke, William Denton, Barbara E. Engelhardt, Emma Brunskill
Abstract: Promoting healthy lifestyle behaviors remains a major public health concern, particularly due to their crucial role in preventing chronic conditions such as cancer, heart disease, and type 2 diabetes. Mobile health applications present a promising avenue for low-cost, scalable health behavior change promotion. Researchers are increasingly exploring adaptive algorithms that personalize interventions to each person's unique context. However, in empirical studies, mobile health applications often suffer from small effect sizes and low adherence rates, particularly in comparison to human coaching. Tailoring advice to a person's unique goals, preferences, and life circumstances is a critical component of health coaching that has been underutilized in adaptive algorithms for mobile health interventions. To address this, we introduce a new Thompson sampling algorithm that can accommodate personalized reward functions (i.e., goals, preferences, and constraints), while also leveraging data sharing across individuals to more quickly be able to provide effective recommendations. We prove that our modification incurs only a constant penalty on cumulative regret while preserving the sample complexity benefits of data sharing. We present empirical results on synthetic and semi-synthetic physical activity simulators, where in the latter we conducted an online survey to solicit preference data relating to physical activity, which we use to construct realistic reward models that leverages historical data from another study. Our algorithm achieves substantial performance improvements compared to baselines that do not share data or do not optimize for individualized rewards.
Authors: Vima Gupta, Sashank Varma
Abstract: As children enter elementary school, their understanding of the ordinal structure of numbers transitions from a memorized count list of the first 50-100 numbers to knowing the successor function and understanding the countably infinite. We investigate this developmental change in two neural network models that learn the successor function on the pairs (N, N+1) for N in (0, 98). The first uses a one-hot encoding of the input and output values and corresponds to children memorizing a count list, while the second model uses a place-value encoding and corresponds to children learning the language rules for naming numbers. The place-value model showed a predicted drop in representational similarity across tens boundaries. Counting across a tens boundary can be understood as a vector operation in 2D space, where the numbers with the same tens place are organized in a linearly separable manner, whereas those with the same ones place are grouped together. A curriculum learning simulation shows that, in the expanding numerical environment of the developing child, representations of smaller numbers continue to be sharpened even as larger numbers begin to be learned. These models set the stage for future work using recurrent architectures to move beyond learning the successor function to simulating the counting process more generally, and point towards a deeper understanding of what it means to understand the countably infinite.
Authors: Tingting Ni, Maryam Kamgarpour
Abstract: We consider discounted infinite horizon constrained Markov decision processes (CMDPs) where the goal is to find an optimal policy that maximizes the expected cumulative reward subject to expected cumulative constraints. Motivated by the application of CMDPs in online learning of safety-critical systems, we focus on developing a model-free and simulator-free algorithm that ensures constraint satisfaction during learning. To this end, we develop an interior point approach based on the log barrier function of the CMDP. Under the commonly assumed conditions of Fisher non-degeneracy and bounded transfer error of the policy parameterization, we establish the theoretical properties of the algorithm. In particular, in contrast to existing CMDP approaches that ensure policy feasibility only upon convergence, our algorithm guarantees the feasibility of the policies during the learning process and converges to the $\varepsilon$-optimal policy with a sample complexity of $\tilde{\mathcal{O}}(\varepsilon^{-6})$. In comparison to the state-of-the-art policy gradient-based algorithm, C-NPG-PDA, our algorithm requires an additional $\mathcal{O}(\varepsilon^{-2})$ samples to ensure policy feasibility during learning with the same Fisher non-degenerate parameterization.
Authors: Zihan Zhang, Wenhao Zhan, Yuxin Chen, Simon S. Du, Jason D. Lee
Abstract: Multi-distribution learning (MDL), which seeks to learn a shared model that minimizes the worst-case risk across $k$ distinct data distributions, has emerged as a unified framework in response to the evolving demand for robustness, fairness, multi-group collaboration, etc. Achieving data-efficient MDL necessitates adaptive sampling, also called on-demand sampling, throughout the learning process. However, there exist substantial gaps between the state-of-the-art upper and lower bounds on the optimal sample complexity. Focusing on a hypothesis class of Vapnik-Chervonenkis (VC) dimension d, we propose a novel algorithm that yields an varepsilon-optimal randomized hypothesis with a sample complexity on the order of (d+k)/varepsilon^2 (modulo some logarithmic factor), matching the best-known lower bound. Our algorithmic ideas and theory are further extended to accommodate Rademacher classes. The proposed algorithms are oracle-efficient, which access the hypothesis class solely through an empirical risk minimization oracle. Additionally, we establish the necessity of randomization, revealing a large sample size barrier when only deterministic hypotheses are permitted. These findings resolve three open problems presented in COLT 2023 (i.e., citet[Problems 1, 3 and 4]{awasthi2023sample}).
Authors: Jingwei Guo, Kaizhu Huang, Xinping Yi, Rui Zhang
Abstract: Spectral Graph Neural Networks (GNNs) have achieved tremendous success in graph machine learning, with polynomial filters applied for graph convolutions, where all nodes share the identical filter weights to mine their local contexts. Despite the success, existing spectral GNNs usually fail to deal with complex networks (e.g., WWW) due to such homogeneous spectral filtering setting that ignores the regional heterogeneity as typically seen in real-world networks. To tackle this issue, we propose a novel diverse spectral filtering (DSF) framework, which automatically learns node-specific filter weights to exploit the varying local structure properly. Particularly, the diverse filter weights consist of two components -- A global one shared among all nodes, and a local one that varies along network edges to reflect node difference arising from distinct graph parts -- to balance between local and global information. As such, not only can the global graph characteristics be captured, but also the diverse local patterns can be mined with awareness of different node positions. Interestingly, we formulate a novel optimization problem to assist in learning diverse filters, which also enables us to enhance any spectral GNNs with our DSF framework. We showcase the proposed framework on three state-of-the-arts including GPR-GNN, BernNet, and JacobiConv. Extensive experiments over 10 benchmark datasets demonstrate that our framework can consistently boost model performance by up to 4.92% in node classification tasks, producing diverse filters with enhanced interpretability. Code is available at \url{https://github.com/jingweio/DSF}.
Authors: Anirudh Rajiv Menon, Unnikrishnan Menon, Kailash Ahirwar
Abstract: Modern deep learning models, growing larger and more complex, have demonstrated exceptional generalization and accuracy due to training on huge datasets. This trend is expected to continue. However, the increasing size of these models poses challenges in training, as traditional centralized methods are limited by memory constraints at such scales. This paper proposes an asynchronous decentralized training paradigm for large modern deep learning models that harnesses the compute power of regular heterogeneous PCs with limited resources connected across the internet to achieve favourable performance metrics. Ravnest facilitates decentralized training by efficiently organizing compute nodes into clusters with similar data transfer rates and compute capabilities, without necessitating that each node hosts the entire model. These clusters engage in $\textit{Zero-Bubble Asynchronous Model Parallel}$ training, and a $\textit{Parallel Multi-Ring All-Reduce}$ method is employed to effectively execute global parameter averaging across all clusters. We have framed our asynchronous SGD loss function as a block structured optimization problem with delayed updates and derived an optimal convergence rate of $O\left(\frac{1}{\sqrt{K}}\right)$. We further discuss linear speedup with respect to the number of participating clusters and the bound on the staleness parameter.
Authors: Xusheng Zhang, Cho-Chun Chiu, Ting He
Abstract: This work aims at improving the energy efficiency of decentralized learning by optimizing the mixing matrix, which controls the communication demands during the learning process. Through rigorous analysis based on a state-of-the-art decentralized learning algorithm, the problem is formulated as a bi-level optimization, with the lower level solved by graph sparsification. A solution with guaranteed performance is proposed for the special case of fully-connected base topology and a greedy heuristic is proposed for the general case. Simulations based on real topology and dataset show that the proposed solution can lower the energy consumption at the busiest node by 54%-76% while maintaining the quality of the trained model.
Authors: Jingwei Guo, Kaizhu Huang, Xinping Yi, Zixian Su, Rui Zhang
Abstract: Whilst spectral Graph Neural Networks (GNNs) are theoretically well-founded in the spectral domain, their practical reliance on polynomial approximation implies a profound linkage to the spatial domain. As previous studies rarely examine spectral GNNs from the spatial perspective, their spatial-domain interpretability remains elusive, e.g., what information is essentially encoded by spectral GNNs in the spatial domain? In this paper, to answer this question, we investigate the theoretical connection between spectral filtering and spatial aggregation, unveiling an intrinsic interaction that spectral filtering implicitly leads the original graph to an adapted new graph, explicitly computed for spatial aggregation. Both theoretical and empirical investigations reveal that the adapted new graph not only exhibits non-locality but also accommodates signed edge weights to reflect label consistency among nodes. These findings thus highlight the interpretable role of spectral GNNs in the spatial domain and inspire us to rethink graph spectral filters beyond the fixed-order polynomials, which neglect global information. Built upon the theoretical findings, we revisit the state-of-the-art spectral GNNs and propose a novel Spatially Adaptive Filtering (SAF) framework, which leverages the adapted new graph by spectral filtering for an auxiliary non-local aggregation. Notably, our SAF comprehensively models both node similarity and dissimilarity from a global perspective, therefore alleviating persistent deficiencies of GNNs related to long-range dependencies and graph heterophily. Extensive experiments over 13 node classification benchmarks demonstrate the superiority of our proposed framework to the state-of-the-art methods.
Authors: Wenpin Tang, Hanyang Zhao
Abstract: Diffusion probabilistic models (DPMs) have emerged as a promising technique in generative modeling. The success of DPMs relies on two ingredients: time reversal of diffusion processes and score matching. Most existing works implicitly assume that score matching is close to perfect, while this assumption is questionable. In view of possibly unguaranteed score matching, we propose a new criterion -- the contraction of backward sampling in the design of DPMs, leading to a novel class of contractive DPMs (CDPMs). The key insight is that the contraction in the backward process can narrow score matching errors and discretization errors. Thus, our proposed CDPMs are robust to both sources of error. For practical use, we show that CDPM can leverage pretrained DPMs by a simple transformation, and does not need retraining. We corroborated our approach by experiments on synthetic 1-dim examples, Swiss Roll, MNIST, CIFAR-10 32$\times$32 and AFHQ 64$\times$64 dataset. Notably, CDPM shows the best performance among all known SDE-based DPMs.
Authors: Sofie Goethals, Toon Calders
Abstract: Artificial Intelligence (AI) finds widespread application across various domains, but it sparks concerns about fairness in its deployment. The prevailing discourse in classification often emphasizes outcome-based metrics comparing sensitive subgroups without a nuanced consideration of the differential impacts within subgroups. Bias mitigation techniques not only affect the ranking of pairs of instances across sensitive groups, but often also significantly affect the ranking of instances within these groups. Such changes are hard to explain and raise concerns regarding the validity of the intervention. Unfortunately, these effects remain under the radar in the accuracy-fairness evaluation framework that is usually applied. Additionally, we illustrate the effect of several popular bias mitigation methods, and how their output often does not reflect real-world scenarios.
Authors: Jing Li, Zhijie Sun, Xuan He, Li Zeng, Yi Lin, Entong Li, Binfan Zheng, Rongqian Zhao, Xin Chen
Abstract: The Mixtures-of-Experts (MoE) model is a widespread distributed and integrated learning method for large language models (LLM), which is favored due to its ability to sparsify and expand models efficiently. However, the performance of MoE is limited by load imbalance and high latency of All-to-All communication, along with relatively redundant computation owing to large expert capacity. Load imbalance may result from existing routing policies that consistently tend to select certain experts. The frequent inter-node communication in the All-to-All procedure also significantly prolongs the training time. To alleviate the above performance problems, we propose a novel routing strategy that combines load balance and locality by converting partial inter-node communication to that of intra-node. Notably, we elucidate that there is a minimum threshold for expert capacity, calculated through the maximal angular deviation between the gating weights of the experts and the assigned tokens. We port these modifications on the PanGu-Sigma model based on the MindSpore framework with multi-level routing and conduct experiments on Ascend clusters. The experiment results demonstrate that the proposed LocMoE reduces training time per epoch by 12.68% to 22.24% compared to classical routers, such as hash router and switch router, without impacting the model accuracy.
Authors: Yuan-Heng Wang, Hoshin V. Gupta
Abstract: We investigate the applicability of machine learning technologies to the development of parsimonious, interpretable, catchment-scale hydrologic models using directed-graph architectures based on the mass-conserving perceptron (MCP) as the fundamental computational unit. Here, we focus on architectural complexity (depth) at a single location, rather than universal applicability (breadth) across large samples of catchments. The goal is to discover a minimal representation (numbers of cell-states and flow paths) that represents the dominant processes that can explain the input-state-output behaviors of a given catchment, with particular emphasis given to simulating the full range (high, medium, and low) of flow dynamics. We find that a HyMod-like architecture with three cell-states and two major flow pathways achieves such a representation at our study location, but that the additional incorporation of an input-bypass mechanism significantly improves the timing and shape of the hydrograph, while the inclusion of bi-directional groundwater mass exchanges significantly enhances the simulation of baseflow. Overall, our results demonstrate the importance of using multiple diagnostic metrics for model evaluation, while highlighting the need for designing training metrics that are better suited to extracting information across the full range of flow dynamics. Further, they set the stage for interpretable regional-scale MCP-based hydrological modeling (using large sample data) by using neural architecture search to determine appropriate minimal representations for catchments in different hydroclimatic regimes.
Authors: Rui Zhang, Rui Xin, Margo Seltzer, Cynthia Rudin
Abstract: Interpretability is crucial for doctors, hospitals, pharmaceutical companies and biotechnology corporations to analyze and make decisions for high stakes problems that involve human health. Tree-based methods have been widely adopted for survival analysis due to their appealing interpretablility and their ability to capture complex relationships. However, most existing methods to produce survival trees rely on heuristic (or greedy) algorithms, which risk producing sub-optimal models. We present a dynamic-programming-with-bounds approach that finds provably-optimal sparse survival tree models, frequently in only a few seconds.
Authors: Shun Zhang, Zhenfang Chen, Sunli Chen, Yikang Shen, Zhiqing Sun, Chuang Gan
Abstract: Reinforcement Learning from Human Feedback (RLHF) is a widely adopted approach for aligning large language models with human values. However, RLHF relies on a reward model that is trained with a limited amount of human preference data, which could lead to inaccurate predictions. As a result, RLHF may produce outputs that are misaligned with human values. To mitigate this issue, we contribute a reward ensemble method that allows the reward model to make more accurate predictions. As using an ensemble of large language model-based reward models can be computationally and resource-expensive, we explore efficient ensemble methods including linear-layer ensemble and LoRA-based ensemble. Empirically, we run Best-of-$n$ and Proximal Policy Optimization with our ensembled reward models, and verify that our ensemble methods help improve the alignment performance of RLHF outputs.
Authors: Aniq Ur Rahman, Justin P. Coon
Abstract: In this paper, we propose an online algorithm mspace for forecasting node features in temporal graphs, which captures spatial cross-correlation among different nodes as well as the temporal auto-correlation within a node. The algorithm can be used for both probabilistic and deterministic multi-step forecasting, making it applicable for estimation and generation tasks. Comparative evaluations against various baselines, including temporal graph neural network (TGNN) models and classical Kalman filters, demonstrate that mspace performs at par with the state-of-the-art and even surpasses them on some datasets. Importantly, mspace demonstrates consistent performance across datasets with varying training sizes, a notable advantage over TGNN models that require abundant training samples to effectively learn the spatiotemporal trends in the data. Therefore, employing mspace is advantageous in scenarios where the training sample availability is limited. Additionally, we establish theoretical bounds on multi-step forecasting error of mspace and show that it scales linearly with the number of forecast steps $q$ as $\mathcal{O}(q)$. For an asymptotically large number of nodes $n$, and timesteps $T$, the computational complexity of mspace grows linearly with both $n$, and $T$, i.e., $\mathcal{O}(nT)$, while its space complexity remains constant $\mathcal{O}(1)$. We compare the performance of various mspace variants against ten recent TGNN baselines and two classical baselines, ARIMA and the Kalman filter across ten real-world datasets. Additionally, we propose a technique to generate synthetic datasets to aid in evaluating node feature forecasting methods, with the potential to serve as a benchmark for future research. Lastly, we have investigate the interpretability of different mspace variants by analyzing model parameters alongside dataset characteristics to derive model and data-centric insights.
Authors: Sahil Sidheekh, Sriraam Natarajan
Abstract: We present a comprehensive survey of the advancements and techniques in the field of tractable probabilistic generative modeling, primarily focusing on Probabilistic Circuits (PCs). We provide a unified perspective on the inherent trade-offs between expressivity and tractability, highlighting the design principles and algorithmic extensions that have enabled building expressive and efficient PCs, and provide a taxonomy of the field. We also discuss recent efforts to build deep and hybrid PCs by fusing notions from deep neural models, and outline the challenges and open questions that can guide future research in this evolving field.
Authors: Rohan Alur, Manish Raghavan, Devavrat Shah
Abstract: We introduce a novel framework for incorporating human expertise into algorithmic predictions. Our approach focuses on the use of human judgment to distinguish inputs which `look the same' to any feasible predictive algorithm. We argue that this framing clarifies the problem of human/AI collaboration in prediction tasks, as experts often have access to information -- particularly subjective information -- which is not encoded in the algorithm's training data. We use this insight to develop a set of principled algorithms for selectively incorporating human feedback only when it improves the performance of any feasible predictor. We find empirically that although algorithms often outperform their human counterparts on average, human judgment can significantly improve algorithmic predictions on specific instances (which can be identified ex-ante). In an X-ray classification task, we find that this subset constitutes nearly 30% of the patient population. Our approach provides a natural way of uncovering this heterogeneity and thus enabling effective human-AI collaboration.
Authors: Joshua A. Vita, Amit Samanta, Fei Zhou, Vincenzo Lordi
Abstract: Model ensembles are effective tools for estimating prediction uncertainty in deep learning atomistic force fields. However, their widespread adoption is hindered by high computational costs and overconfident error estimates. In this work, we address these challenges by leveraging distributions of per-sample errors obtained during training and employing a distance-based similarity search in the model latent space. Our method, which we call LTAU, efficiently estimates the full probability distribution function (PDF) of errors for any test point using the logged training errors, achieving speeds that are 2--3 orders of magnitudes faster than typical ensemble methods and allowing it to be used for tasks where training or evaluating multiple models would be infeasible. We apply LTAU towards estimating parametric uncertainty in atomistic force fields (LTAU-FF), demonstrating that its improved ensemble diversity produces well-calibrated confidence intervals and predicts errors that correlate strongly with the true errors for data near the training domain. Furthermore, we show that the errors predicted by LTAU-FF can be used in practical applications for detecting out-of-domain data, tuning model performance, and predicting failure during simulations. We believe that LTAU will be a valuable tool for uncertainty quantification (UQ) in atomistic force fields and is a promising method that should be further explored in other domains of machine learning.
Authors: Jan-Philipp von Bassewitz, Sebastian Kaltenbach, Petros Koumoutsakos
Abstract: Reliable predictions of critical phenomena, such as weather, wildfires and epidemics often rely on models described by Partial Differential Equations (PDEs). However, simulations that capture the full range of spatio-temporal scales described by such PDEs are often prohibitively expensive. Consequently, coarse-grained simulations are usually deployed that adopt various heuristics and empirical closure terms to account for the missing information. We propose a novel and systematic approach for identifying closures in under-resolved PDEs using grid-based Reinforcement Learning. This formulation incorporates inductive bias and exploits locality by deploying a central policy represented efficiently by a Fully Convolutional Network (FCN). We demonstrate the capabilities and limitations of our framework through numerical solutions of the advection equation and the Burgers' equation. Our results show accurate predictions for in- and out-of-distribution test cases as well as a significant speedup compared to resolving all scales.
Authors: Jary Pomponi, Alessio Devoto, Simone Scardapane
Abstract: Humans are capable of acquiring new knowledge and transferring learned knowledge into different domains, incurring a small forgetting. The same ability, called Continual Learning, is challenging to achieve when operating with neural networks due to the forgetting affecting past learned tasks when learning new ones. This forgetting can be mitigated by replaying stored samples from past tasks, but a large memory size may be needed for long sequences of tasks; moreover, this could lead to overfitting on saved samples. In this paper, we propose a novel regularisation approach and a novel incremental classifier called, respectively, Margin Dampening and Cascaded Scaling Classifier. The first combines a soft constraint and a knowledge distillation approach to preserve past learned knowledge while allowing the model to learn new patterns effectively. The latter is a gated incremental classifier, helping the model modify past predictions without directly interfering with them. This is achieved by modifying the output of the model with auxiliary scaling functions. We empirically show that our approach performs well on multiple benchmarks against well-established baselines, and we also study each component of our proposal and how the combinations of such components affect the final results.
Authors: Masayuki Takayama, Tadahisa Okuda, Thong Pham, Tatsuyoshi Ikenoue, Shingo Fukuma, Shohei Shimizu, Akiyoshi Sannai
Abstract: In practical statistical causal discovery (SCD), embedding domain expert knowledge as constraints into the algorithm is significant for creating consistent meaningful causal models, despite the challenges in systematic acquisition of the background knowledge. To overcome these challenges, this paper proposes a novel methodology for causal inference, in which SCD methods and knowledge based causal inference (KBCI) with a large language model (LLM) are synthesized through ``statistical causal prompting (SCP)'' for LLMs and prior knowledge augmentation for SCD. Experiments have revealed that GPT-4 can cause the output of the LLM-KBCI and the SCD result with prior knowledge from LLM-KBCI to approach the ground truth, and that the SCD result can be further improved, if GPT-4 undergoes SCP. Furthermore, by using an unpublished real-world dataset, we have demonstrated that the background knowledge provided by the LLM can improve SCD on this dataset, even if this dataset has never been included in the training data of the LLM. The proposed approach can thus address challenges such as dataset biases and limitations, illustrating the potential of LLMs to improve data-driven causal inference across diverse scientific domains.
Authors: Yijiang Pang, Jiayu Zhou
Abstract: Large foundation models, such as large language models, have performed exceptionally well in various application scenarios. Building or fully fine-tuning such large models is usually prohibitive due to either hardware budget or lack of access to backpropagation. The zeroth-order methods offer a promising direction for tackling this challenge, where only forward passes are needed to update the model. This paper introduces an efficient Stochastic Two-Point (S2P) approach within the gradient-free regime. We present the theoretical convergence properties of S2P under the general and relaxed smoothness assumptions, and the derived results help understand and inherently connect the two popular types of zeroth-order methods, basic random search and stochastic three-point method. The theoretical properties also shed light on a Variant of S2P (VS2P), through exploiting our new convergence properties that better represent the dynamics of deep models in training. Our comprehensive empirical results show that VS2P is highly effective in optimizing objectives for deep models. It outperforms or achieves competitive performance compared to standard methods across various model types and scales.
Authors: Menghua Wu, Yujia Bao, Regina Barzilay, Tommi Jaakkola
Abstract: Causal discovery, the task of inferring causal structure from data, promises to accelerate scientific research, inform policy making, and more. However, causal discovery algorithms over larger sets of variables tend to be brittle against misspecification or when data are limited. To mitigate these challenges, we train a supervised model that learns to predict a larger causal graph from the outputs of classical causal discovery algorithms run over subsets of variables, along with other statistical hints like inverse covariance. Our approach is enabled by the observation that typical errors in the outputs of classical methods remain comparable across datasets. Theoretically, we show that this model is well-specified, in the sense that it can recover a causal graph consistent with graphs over subsets. Empirically, we train the model to be robust to erroneous estimates using diverse synthetic data. Experiments on real and synthetic data demonstrate that this model maintains high accuracy in the face of misspecification or distribution shift, and can be adapted at low cost to different discovery algorithms or choice of statistics.
Authors: Fangzhao Zhang, Mert Pilanci
Abstract: Diffusion models are gaining widespread use in cutting-edge image, video, and audio generation. Score-based diffusion models stand out among these methods, necessitating the estimation of score function of the input data distribution. In this study, we present a theoretical framework to analyze two-layer neural network-based diffusion models by reframing score matching and denoising score matching as convex optimization. We prove that training shallow neural networks for score prediction can be done by solving a single convex program. Although most analyses of diffusion models operate in the asymptotic setting or rely on approximations, we characterize the exact predicted score function and establish convergence results for neural network-based diffusion models with finite data. Our results provide a precise characterization of what neural network-based diffusion models learn in non-asymptotic settings.
Authors: Xueqing Liu, Kyra Gan, Esmaeil Keyvanshokooh, Susan Murphy
Abstract: Motivated by applications in digital health, this work studies the novel problem of online uniform allocation (OUA), where the goal is to distribute a budget uniformly across unknown decision times. In the OUA problem, the algorithm is given a budget $b$ and a time horizon $T$, and an adversary then chooses a value $\tau^* \in [b,T]$, which is revealed to the algorithm online. At each decision time $i \in [\tau^*]$, the algorithm must determine a probability that maximizes the budget spent throughout the horizon, respecting budget constraint $b$, while achieving as uniform a distribution as possible over $\tau^*$. We present the first randomized algorithm designed for this problem and subsequently extend it to incorporate learning augmentation. We provide worst-case approximation guarantees for both algorithms, and illustrate the utility of the algorithms through both synthetic experiments and a real-world case study involving the HeartSteps mobile application. Our numerical results show strong empirical average performance of our proposed randomized algorithms against previously proposed heuristic solutions.
Authors: Lu Chen, Shaofeng Li, Benhao Huang, Fan Yang, Zheng Li, Jie Li, Yuan Luo
Abstract: Existing works have extensively studied adversarial examples, which are minimal perturbations that can mislead the output of deep neural networks (DNNs) while remaining imperceptible to humans. However, in this work, we reveal the existence of a harmless perturbation space, in which perturbations drawn from this space, regardless of their magnitudes, leave the network output unchanged when applied to inputs. Essentially, the harmless perturbation space emerges from the usage of non-injective functions (linear or non-linear layers) within DNNs, enabling multiple distinct inputs to be mapped to the same output. For linear layers with input dimensions exceeding output dimensions, any linear combination of the orthogonal bases of the nullspace of the parameter consistently yields no change in their output. For non-linear layers, the harmless perturbation space may expand, depending on the properties of the layers and input samples. Inspired by this property of DNNs, we solve for a family of general perturbation spaces that are redundant for the DNN's decision, and can be used to hide sensitive data and serve as a means of model identification. Our work highlights the distinctive robustness of DNNs (i.e., consistency under large magnitude perturbations) in contrast to adversarial examples (vulnerability for small imperceptible noises).
Authors: Hugues Van Assel, C\'edric Vincent-Cuaz, Nicolas Courty, R\'emi Flamary, Pascal Frossard, Titouan Vayer
Abstract: Unsupervised learning aims to capture the underlying structure of potentially large and high-dimensional datasets. Traditionally, this involves using dimensionality reduction (DR) methods to project data onto lower-dimensional spaces or organizing points into meaningful clusters (clustering). In this work, we revisit these approaches under the lens of optimal transport and exhibit relationships with the Gromov-Wasserstein problem. This unveils a new general framework, called distributional reduction, that recovers DR and clustering as special cases and allows addressing them jointly within a single optimization problem. We empirically demonstrate its relevance to the identification of low-dimensional prototypes representing data at different scales, across multiple image and genomic datasets.
Authors: Shaogang Ren, Xiaoning Qian
Abstract: Maximizing a target variable as an operational objective in a structural causal model is an important problem. Existing Causal Bayesian Optimization~(CBO) methods either rely on hard interventions that alter the causal structure to maximize the reward; or introduce action nodes to endogenous variables so that the data generation mechanisms are adjusted to achieve the objective. In this paper, a novel method is introduced to learn the distribution of exogenous variables, which is typically ignored or marginalized through expectation by existing methods. Exogenous distribution learning improves the approximation accuracy of structural causal models in a surrogate model that is usually trained with limited observational data. Moreover, the learned exogenous distribution extends existing CBO to general causal schemes beyond Additive Noise Models~(ANM). The recovery of exogenous variables allows us to use a more flexible prior for noise or unobserved hidden variables. We develop a new CBO method by leveraging the learned exogenous distribution. Experiments on different datasets and applications show the benefits of our proposed method.
Authors: Hongyu Cheng, Sammy Khalife, Barbara Fiedorowicz, Amitabh Basu
Abstract: Data-driven algorithm design is a paradigm that uses statistical and machine learning techniques to select from a class of algorithms for a computational problem an algorithm that has the best expected performance with respect to some (unknown) distribution on the instances of the problem. We build upon recent work in this line of research by considering the setup where, instead of selecting a single algorithm that has the best performance, we allow the possibility of selecting an algorithm based on the instance to be solved, using neural networks. In particular, given a representative sample of instances, we learn a neural network that maps an instance of the problem to the most appropriate algorithm for that instance. We formalize this idea and derive rigorous sample complexity bounds for this learning problem, in the spirit of recent work in data-driven algorithm design. We then apply this approach to the problem of making good decisions in the branch-and-cut framework for mixed-integer optimization (e.g., which cut to add?). In other words, the neural network will take as input a mixed-integer optimization instance and output a decision that will result in a small branch-and-cut tree for that instance. Our computational results provide evidence that our particular way of using neural networks for cut selection can make a significant impact in reducing branch-and-cut tree sizes, compared to previous data-driven approaches.
Authors: Yong Liu, Guo Qin, Xiangdong Huang, Jianmin Wang, Mingsheng Long
Abstract: Foundation models of time series have not been fully developed due to the limited availability of time series corpora and the underexploration of scalable pre-training. Based on the similar sequential formulation of time series and natural language, increasing research demonstrates the feasibility of leveraging large language models (LLM) for time series. Nevertheless, the inherent autoregressive property and decoder-only architecture of LLMs have not been fully considered, resulting in insufficient utilization of LLM abilities. To further exploit the general-purpose token transition and multi-step generation ability of large language models, we propose AutoTimes to repurpose LLMs as autoregressive time series forecasters, which independently projects time series segments into the embedding space and autoregressively generates future predictions with arbitrary lengths. Compatible with any decoder-only LLMs, the consequent forecaster exhibits the flexibility of the lookback length and scalability of the LLM size. Further, we formulate time series as prompts, extending the context for prediction beyond the lookback window, termed in-context forecasting. By adopting textual timestamps as position embeddings, AutoTimes integrates multimodality for multivariate scenarios. Empirically, AutoTimes achieves state-of-the-art with 0.1% trainable parameters and over 5 times training/inference speedup compared to advanced LLM-based forecasters.
Authors: Gerald Woo, Chenghao Liu, Akshat Kumar, Caiming Xiong, Silvio Savarese, Doyen Sahoo
Abstract: Deep learning for time series forecasting has traditionally operated within a one-model-per-dataset framework, limiting its potential to leverage the game-changing impact of large pre-trained models. The concept of universal forecasting, emerging from pre-training on a vast collection of time series datasets, envisions a single Large Time Series Model capable of addressing diverse downstream forecasting tasks. However, constructing such a model poses unique challenges specific to time series data: i) cross-frequency learning, ii) accommodating an arbitrary number of variates for multivariate time series, and iii) addressing the varying distributional properties inherent in large-scale data. To address these challenges, we present novel enhancements to the conventional time series Transformer architecture, resulting in our proposed Masked Encoder-based Universal Time Series Forecasting Transformer (Moirai). Trained on our newly introduced Large-scale Open Time Series Archive (LOTSA) featuring over 27B observations across nine domains, Moirai achieves competitive or superior performance as a zero-shot forecaster when compared to full-shot models. Code, data, and model weights can be found at https://github.com/SalesforceAIResearch/uni2ts.
Authors: William Chen, Oier Mees, Aviral Kumar, Sergey Levine
Abstract: Humans can quickly learn new behaviors by leveraging background world knowledge. In contrast, agents trained with reinforcement learning (RL) typically learn behaviors from scratch. We thus propose a novel approach that uses the vast amounts of general and indexable world knowledge encoded in vision-language models (VLMs) pre-trained on Internet-scale data for embodied RL. We initialize policies with VLMs by using them as promptable representations: embeddings that encode semantic features of visual observations based on the VLM's internal knowledge and reasoning capabilities, as elicited through prompts that provide task context and auxiliary information. We evaluate our approach on visually-complex, long horizon RL tasks in Minecraft and robot navigation in Habitat. We find that our policies trained on embeddings from off-the-shelf, general-purpose VLMs outperform equivalent policies trained on generic, non-promptable image embeddings. We also find our approach outperforms instruction-following methods and performs comparably to domain-specific embeddings. Finally, we show that our approach can use chain-of-thought prompting to produce representations of common-sense semantic reasoning, improving policy performance in novel scenes by 1.5 times.
Authors: Tobin South, Alexander Camuto, Shrey Jain, Shayla Nguyen, Robert Mahari, Christian Paquin, Jason Morton, Alex 'Sandy' Pentland
Abstract: In a world of increasing closed-source commercial machine learning models, model evaluations from developers must be taken at face value. These benchmark results-whether over task accuracy, bias evaluations, or safety checks-are traditionally impossible to verify by a model end-user without the costly or impossible process of re-performing the benchmark on black-box model outputs. This work presents a method of verifiable model evaluation using model inference through zkSNARKs. The resulting zero-knowledge computational proofs of model outputs over datasets can be packaged into verifiable evaluation attestations showing that models with fixed private weights achieve stated performance or fairness metrics over public inputs. We present a flexible proving system that enables verifiable attestations to be performed on any standard neural network model with varying compute requirements. For the first time, we demonstrate this across a sample of real-world models and highlight key challenges and design solutions. This presents a new transparency paradigm in the verifiable evaluation of private models.
Authors: Xing Han, Huy Nguyen, Carl Harris, Nhat Ho, Suchi Saria
Abstract: As machine learning models in critical fields increasingly grapple with multimodal data, they face the dual challenges of handling a wide array of modalities, often incomplete due to missing elements, and the temporal irregularity and sparsity of collected samples. Successfully leveraging this complex data, while overcoming the scarcity of high-quality training samples, is key to improving these models' predictive performance. We introduce ``FuseMoE'', a mixture-of-experts framework incorporated with an innovative gating function. Designed to integrate a diverse number of modalities, FuseMoE is effective in managing scenarios with missing modalities and irregularly sampled data trajectories. Theoretically, our unique gating function contributes to enhanced convergence rates, leading to better performance in multiple downstream tasks. The practical utility of FuseMoE in the real world is validated by a diverse set of challenging prediction tasks.
Authors: Ammar Haydari, Dongjie Chen, Zhengfeng Lai, Michael Zhang, Chen-Nee Chuah
Abstract: Generative models have shown promising results in capturing human mobility characteristics and generating synthetic trajectories. However, it remains challenging to ensure that the generated geospatial mobility data is semantically realistic, including consistent location sequences, and reflects real-world characteristics, such as constraining on geospatial limits. We reformat human mobility modeling as an autoregressive generation task to address these issues, leveraging the Generative Pre-trained Transformer (GPT) architecture. To ensure its controllable generation to alleviate the above challenges, we propose a geospatially-aware generative model, MobilityGPT. We propose a gravity-based sampling method to train a transformer for semantic sequence similarity. Then, we constrained the training process via a road connectivity matrix that provides the connectivity of sequences in trajectory generation, thereby keeping generated trajectories in geospatial limits. Lastly, we proposed to construct a preference dataset for fine-tuning MobilityGPT via Reinforcement Learning from Trajectory Feedback (RLTF) mechanism, which minimizes the travel distance between training and the synthetically generated trajectories. Experiments on real-world datasets demonstrate MobilityGPT's superior performance over state-of-the-art methods in generating high-quality mobility trajectories that are closest to real data in terms of origin-destination similarity, trip length, travel radius, link, and gravity distributions.
Authors: Jacob K Christopher, Stephen Baek, Ferdinando Fioretto
Abstract: This paper introduces an approach to endow generative diffusion processes the ability to satisfy and certify compliance with constraints and physical principles. The proposed method recast the traditional sampling process of generative diffusion models as a constrained optimization problem, steering the generated data distribution to remain within a specified region to ensure adherence to the given constraints. These capabilities are validated on applications featuring both convex and challenging, non-convex, constraints as well as ordinary differential equations, in domains spanning from synthesizing new materials with precise morphometric properties, generating physics-informed motion, optimizing paths in planning scenarios, and human motion synthesis.
Authors: Linus Aronsson, Morteza Haghir Chehreghani
Abstract: We study correlation clustering where the pairwise similarities are not known in advance. For this purpose, we employ active learning to query pairwise similarities in a cost-efficient way. We propose a number of effective information-theoretic acquisition functions based on entropy and information gain. We extensively investigate the performance of our methods in different settings and demonstrate their superior performance compared to the alternatives.
Authors: Lingxiao Zhao, Xueying Ding, Leman Akoglu
Abstract: Graph generation has been dominated by autoregressive models due to their simplicity and effectiveness, despite their sensitivity to ordering. Yet diffusion models have garnered increasing attention, as they offer comparable performance while being permutation-invariant. Current graph diffusion models generate graphs in a one-shot fashion, but they require extra features and thousands of denoising steps to achieve optimal performance. We introduce PARD, a Permutation-invariant Auto Regressive Diffusion model that integrates diffusion models with autoregressive methods. PARD harnesses the effectiveness and efficiency of the autoregressive model while maintaining permutation invariance without ordering sensitivity. Specifically, we show that contrary to sets, elements in a graph are not entirely unordered and there is a unique partial order for nodes and edges. With this partial order, PARD generates a graph in a block-by-block, autoregressive fashion, where each block's probability is conditionally modeled by a shared diffusion model with an equivariant network. To ensure efficiency while being expressive, we further propose a higher-order graph transformer, which integrates transformer with PPGN. Like GPT, we extend the higher-order graph transformer to support parallel training of all blocks. Without any extra features, PARD achieves state-of-the-art performance on molecular and non-molecular datasets, and scales to large datasets like MOSES containing 1.9M molecules. Pard is open-sourced at https://github.com/LingxiaoShawn/Pard.
Authors: Ossi R\"ais\"a, Antti Honkela
Abstract: Recent studies have highlighted the benefits of generating multiple synthetic datasets for supervised learning, from increased accuracy to more effective model selection and uncertainty estimation. These benefits have clear empirical support, but the theoretical understanding of them is currently very light. We seek to increase the theoretical understanding by deriving bias-variance decompositions for several settings of using multiple synthetic datasets, including differentially private synthetic data. Our theory predicts multiple synthetic datasets to be especially beneficial for high-variance downstream predictors, and yields a simple rule of thumb to select the appropriate number of synthetic datasets in the case of mean-squared error and Brier score. We investigate how our theory works in practice by evaluating the performance of an ensemble over many synthetic datasets for several real datasets and downstream predictors. The results follow our theory, showing that our insights are practically relevant.
Authors: Ruofan Wu, Guanhua Fang, Qiying Pan, Mingyang Zhang, Tengfei Liu, Weiqiang Wang
Abstract: Graph representation learning (GRL) is critical for extracting insights from complex network structures, but it also raises security concerns due to potential privacy vulnerabilities in these representations. This paper investigates the structural vulnerabilities in graph neural models where sensitive topological information can be inferred through edge reconstruction attacks. Our research primarily addresses the theoretical underpinnings of similarity-based edge reconstruction attacks (SERA), furnishing a non-asymptotic analysis of their reconstruction capacities. Moreover, we present empirical corroboration indicating that such attacks can perfectly reconstruct sparse graphs as graph size increases. Conversely, we establish that sparsity is a critical factor for SERA's effectiveness, as demonstrated through analysis and experiments on (dense) stochastic block models. Finally, we explore the resilience of private graph representations produced via noisy aggregation (NAG) mechanism against SERA. Through theoretical analysis and empirical assessments, we affirm the mitigation of SERA using NAG . In parallel, we also empirically delineate instances wherein SERA demonstrates both efficacy and deficiency in its capacity to function as an instrument for elucidating the trade-off between privacy and utility.
Authors: Xingyue Huang, Miguel Romero Orth, Pablo Barcel\'o, Michael M. Bronstein, \.Ismail \.Ilkan Ceylan
Abstract: Link prediction with knowledge graphs has been thoroughly studied in graph machine learning, leading to a rich landscape of graph neural network architectures with successful applications. Nonetheless, it remains challenging to transfer the success of these architectures to relational hypergraphs, where the task of link prediction is over $k$-ary relations, which is substantially harder than link prediction with knowledge graphs. In this paper, we propose a framework for link prediction with relational hypergraphs, unlocking applications of graph neural networks to fully relational structures. Theoretically, we conduct a thorough analysis of the expressive power of the resulting model architectures via corresponding relational Weisfeiler-Leman algorithms and also via logical expressiveness. Empirically, we validate the power of the proposed model architectures on various relational hypergraph benchmarks. The resulting model architectures substantially outperform every baseline for inductive link prediction, and lead to state-of-the-art results for transductive link prediction.
Authors: Hyesung Jeon, Yulhwa Kim, Jae-joon Kim
Abstract: Due to the high memory and computational costs associated with Large Language Models, model compression via quantization and parameter-efficient fine-tuning (PEFT) methods, such as low-rank adaptation (LoRA), are gaining popularity. This has led to active research on quantization-aware PEFT techniques, which aim to create models with high accuracy and low memory overhead. Among quantization methods, post-training quantization (PTQ) is more commonly used in previous works than quantization-aware training (QAT), despite QAT's potential for higher accuracy. This preference is due to PTQ's low training overhead. However, PTQ-based PEFT methods often utilize high-precision parameters, making it difficult to fully exploit the efficiency of quantization. Additionally, they have limited adaptation ability due to a reduced and constrained LoRA parameter structure. To overcome these challenges, we propose L4Q, which leverages joint quantization and fine-tuning to reduce QAT's memory overhead and produce models that consist entirely of quantized weights while achieving effective adaptation to downstream tasks. By design, L4Q allows quantization parameters to reflect weight updates, while weight updates reduce quantization errors. Our experiments demonstrate that this coupled quantization and fine-tuning approach yields superior accuracy compared to decoupled fine-tuning schemes in sub-4-bit quantization. Using the LLaMA model families and instructional datasets, we showcase L4Q's capabilities in language tasks and few-shot in-context learning.
Authors: Jef Jonkers, Jarne Verhaeghe, Glenn Van Wallendael, Luc Duchateau, Sofie Van Hoecke
Abstract: Knowledge of the effect of interventions, known as the treatment effect, is paramount for decision-making. Approaches to estimating this treatment effect using conditional average treatment effect (CATE) meta-learners often provide only a point estimate of this treatment effect, while additional uncertainty quantification is frequently desired to enhance decision-making confidence. To address this, we introduce two novel approaches: the conformal convolution T-learner (CCT-learner) and conformal Monte Carlo (CMC) meta-learners. The approaches leverage weighted conformal predictive systems (WCPS), Monte Carlo sampling, and CATE meta-learners to generate predictive distributions of individual treatment effect (ITE) that could enhance individualized decision-making. Although we show how assumptions about the noise distribution of the outcome influence the uncertainty predictions, our experiments demonstrate that the CCT- and CMC meta-learners achieve strong coverage while maintaining narrow interval widths. They also generate probabilistically calibrated predictive distributions, providing reliable ranges of ITEs across various synthetic and semi-synthetic datasets. Code: https://github.com/predict-idlab/cct-cmc
Authors: Pierre Marion, Anna Korba, Peter Bartlett, Mathieu Blondel, Valentin De Bortoli, Arnaud Doucet, Felipe Llinares-L\'opez, Courtney Paquette, Quentin Berthet
Abstract: We present a new algorithm to optimize distributions defined implicitly by parameterized stochastic diffusions. Doing so allows us to modify the outcome distribution of sampling processes by optimizing over their parameters. We introduce a general framework for first-order optimization of these processes, that performs jointly, in a single loop, optimization and sampling steps. This approach is inspired by recent advances in bilevel optimization and automatic implicit differentiation, leveraging the point of view of sampling as optimization over the space of probability distributions. We provide theoretical guarantees on the performance of our method, as well as experimental results demonstrating its effectiveness. We apply it to training energy-based models and finetuning denoising diffusions.
Authors: Bohan Tang, Zexi Liu, Keyue Jiang, Siheng Chen, Xiaowen Dong
Abstract: Hypergraphs are crucial for modeling higher-order interactions in real-world data. Hypergraph neural networks (HNNs) effectively utilise these structures by message passing to generate informative node features for various downstream tasks like node classification. However, the message passing block in existing HNNs typically requires a computationally intensive training process, which limits their practical use. To tackle this challenge, we propose an alternative approach by decoupling the usage of the hypergraph structural information from the model training stage. The proposed model, simplified hypergraph neural network (SHNN), contains a training-free message-passing block that can be precomputed before the training of SHNN, thereby reducing the computational burden. We theoretically support the efficiency and effectiveness of SHNN by showing that: 1) It is more training-efficient compared to existing HNNs; 2) It utilises as much information as existing HNNs for node feature generation; and 3) It is robust against the oversmoothing issue while using long-range interactions. Experiments based on six real-world hypergraph benchmarks in node classification and hyperlink prediction present that, compared to state-of-the-art HNNs, SHNN shows both competitive performance and superior training efficiency. Specifically, on Cora-CA, SHNN achieves the highest node classification accuracy with just 2% training time of the best baseline.
Authors: Dixian Zhu, Tianbao Yang, Livnat Jerby
Abstract: Regression is a fundamental task in machine learning that has garnered extensive attention over the past decades. The conventional approach for regression involves employing loss functions that primarily concentrate on aligning model prediction with the ground truth for each individual data sample. Recent research endeavors have introduced novel perspectives by incorporating label similarity to regression via imposing extra pairwise regularization on the latent feature space and demonstrated the effectiveness. However, there are two drawbacks for those approaches: i) their pairwise operation in latent feature space is computationally more expensive than conventional regression losses; ii) it lacks of theoretical justifications behind such regularization. In this work, we propose GAR (Gradient Aligned Regression) as a competitive alternative method in label space, which is constituted by a conventional regression loss and two pairwise label difference losses for gradient alignment including magnitude and direction. GAR enjoys: i) the same level efficiency as conventional regression loss because the quadratic complexity for the proposed pairwise losses can be reduced to linear complexity; ii) theoretical insights from learning the pairwise label difference to learning the gradient of the ground truth function. We limit our current scope as regression on the clean data setting without noises, outliers or distributional shifts, etc. We demonstrate the effectiveness of the proposed method practically on two synthetic datasets and on eight extensive real-world tasks from six benchmark datasets with other eight competitive baselines. Running time experiments demonstrate the superior efficiency of the proposed GAR over existing methods with pairwise regularization in latent feature space and ablation studies demonstrate the effectiveness of each component for GAR.
Authors: Chengxi Zeng, Tilo Burghardt, Alberto M Gambaruto
Abstract: In this paper, the training dynamics of PINNs with a feature mapping layer via the limiting Conjugate Kernel and Neural Tangent Kernel is investigated, shedding light on the convergence of PINNs; Although the commonly used Fourier-based feature mapping has achieved great success, we show its inadequacy in some physics scenarios. Via these two scopes, we propose conditionally positive definite Radial Basis Function as a better alternative. Lastly, we explore the feature mapping numerically in a wide neural networks. Our empirical results reveal the efficacy of our method in diverse forward and inverse problem sets. Composing feature functions is found to be a practical way to address the expressivity and generalisability trade-off, viz., tuning the bandwidth of the kernels and the surjectivity of the feature mapping function. This simple technique can be implemented for coordinate inputs and benefits the broader PINNs research.
Authors: Marek Polewczyk, Marco Spinaci
Abstract: We present a novel deep-learning-based method to cluster words in documents which we apply to detect and recognize tables given the OCR output. We interpret table structure bottom-up as a graph of relations between pairs of words (belonging to the same row, column, header, as well as to the same table) and use a transformer encoder model to predict its adjacency matrix. We demonstrate the performance of our method on the PubTables-1M dataset as well as PubTabNet and FinTabNet datasets. Compared to the current state-of-the-art detection methods such as DETR and Faster R-CNN, our method achieves similar or better accuracy, while requiring a significantly smaller model.
Authors: Dan MacKinlay, Russell Tsuchida, Dan Pagendam, Petra Kuhnert
Abstract: Efficient inference in high-dimensional models remains a central challenge in machine learning. This paper introduces the Gaussian Ensemble Belief Propagation (GEnBP) algorithm, a fusion of the Ensemble Kalman filter and Gaussian Belief Propagation (GaBP) methods. GEnBP updates ensembles by passing low-rank local messages over a graphical model. This combination inherits favourable qualities from each method. Ensemble techniques allow GEnBP to handle high-dimensional states, parameters and intricate, noisy, black-box generation processes. The use of local messages in a graphical model structure ensures that the approach can efficiently handle complex dependence structures. GEnBP is advantageous when the ensemble size may be considerably smaller than the inference dimension. This scenario often arises in fields such as spatiotemporal modelling, image processing and physical model inversion. GEnBP can be applied to general problem structures, including data assimilation, system identification and hierarchical models. Supporting code is available at https://github.com/danmackinlay/GEnBP
Authors: Yuchun Miao, Sen Zhang, Liang Ding, Rong Bao, Lefei Zhang, Dacheng Tao
Abstract: Despite the success of reinforcement learning from human feedback (RLHF) in aligning language models with human values, reward hacking, also termed reward overoptimization, remains a critical challenge. This issue primarily arises from reward misgeneralization, where reward models (RMs) compute reward using spurious features that are irrelevant to human preferences. In this work, we tackle this problem from an information-theoretic perspective and propose a framework for reward modeling, namely InfoRM, by introducing a variational information bottleneck objective to filter out irrelevant information. Notably, we further identify a correlation between overoptimization and outliers in the IB latent space of InfoRM, establishing it as a promising tool for detecting reward overoptimization. Inspired by this finding, we propose the Cluster Separation Index (CSI), which quantifies deviations in the IB latent space, as an indicator of reward overoptimization to facilitate the development of online mitigation strategies. Extensive experiments on a wide range of settings and RM scales (70M, 440M, 1.4B, and 7B) demonstrate the effectiveness of InfoRM. Further analyses reveal that InfoRM's overoptimization detection mechanism is not only effective but also robust across a broad range of datasets, signifying a notable advancement in the field of RLHF. The code will be released upon acceptance.
Authors: Yuyang Deng, Mingda Qiao
Abstract: We study a variant of Collaborative PAC Learning, in which we aim to learn an accurate classifier for each of the $n$ data distributions, while minimizing the number of samples drawn from them in total. Unlike in the usual collaborative learning setup, it is not assumed that there exists a single classifier that is simultaneously accurate for all distributions. We show that, when the data distributions satisfy a weaker realizability assumption, which appeared in [Crammer and Mansour, 2012] in the context of multi-task learning, sample-efficient learning is still feasible. We give a learning algorithm based on Empirical Risk Minimization (ERM) on a natural augmentation of the hypothesis class, and the analysis relies on an upper bound on the VC dimension of this augmented class. In terms of the computational efficiency, we show that ERM on the augmented hypothesis class is NP-hard, which gives evidence against the existence of computationally efficient learners in general. On the positive side, for two special cases, we give learners that are both sample- and computationally-efficient.
Authors: Yuan Yuan, Jingtao Ding, Jie Feng, Depeng Jin, Yong Li
Abstract: Urban spatio-temporal prediction is crucial for informed decision-making, such as transportation management, resource optimization, and urban planning. Although pretrained foundation models for natural languages have experienced remarkable breakthroughs, wherein one general-purpose model can tackle multiple tasks across various domains, urban spatio-temporal modeling lags behind. Existing approaches for urban prediction are usually tailored for specific spatio-temporal scenarios, requiring task-specific model designs and extensive in-domain training data. In this work, we propose a universal model, UniST, for urban spatio-temporal prediction. Drawing inspiration from large language models, UniST achieves success through: (i) flexibility towards diverse spatio-temporal data characteristics, (ii) effective generative pre-training with elaborated masking strategies to capture complex spatio-temporal relationships, (iii) spatio-temporal knowledge-guided prompts that align and leverage intrinsic and shared knowledge across scenarios. These designs together unlock the potential of a one-for-all model for spatio-temporal prediction with powerful generalization capability. Extensive experiments on 15 cities and 6 domains demonstrate the universality of UniST in advancing state-of-the-art prediction performance, especially in few-shot and zero-shot scenarios. The implementation is available at this repository: https://github.com/tsinghua-fib-lab/UniST.
Authors: Zhiyuan Li, Hong Liu, Denny Zhou, Tengyu Ma
Abstract: Instructing the model to generate a sequence of intermediate steps, a.k.a., a chain of thought (CoT), is a highly effective method to improve the accuracy of large language models (LLMs) on arithmetics and symbolic reasoning tasks. However, the mechanism behind CoT remains unclear. This work provides a theoretical understanding of the power of CoT for decoder-only transformers through the lens of expressiveness. Conceptually, CoT empowers the model with the ability to perform inherently serial computation, which is otherwise lacking in transformers, especially when depth is low. Given input length $n$, previous works have shown that constant-depth transformers with finite precision $\mathsf{poly}(n)$ embedding size can only solve problems in $\mathsf{TC}^0$ without CoT. We first show an even tighter expressiveness upper bound for constant-depth transformers with constant-bit precision, which can only solve problems in $\mathsf{AC}^0$, a proper subset of $ \mathsf{TC}^0$. However, with $T$ steps of CoT, constant-depth transformers using constant-bit precision and $O(\log n)$ embedding size can solve any problem solvable by boolean circuits of size $T$. Empirically, enabling CoT dramatically improves the accuracy for tasks that are hard for parallel computation, including the composition of permutation groups, iterated squaring, and circuit value problems, especially for low-depth transformers.
Authors: Huy Hoang, Tien Mai, Pradeep Varakantham
Abstract: We focus on offline imitation learning (IL), which aims to mimic an expert's behavior using demonstrations without any interaction with the environment. One of the main challenges in offline IL is the limited support of expert demonstrations, which typically cover only a small fraction of the state-action space. While it may not be feasible to obtain numerous expert demonstrations, it is often possible to gather a larger set of sub-optimal demonstrations. For example, in treatment optimization problems, there are varying levels of doctor treatments available for different chronic conditions. These range from treatment specialists and experienced general practitioners to less experienced general practitioners. Similarly, when robots are trained to imitate humans in routine tasks, they might learn from individuals with different levels of expertise and efficiency. In this paper, we propose an offline IL approach that leverages the larger set of sub-optimal demonstrations while effectively mimicking expert trajectories. Existing offline IL methods based on behavior cloning or distribution matching often face issues such as overfitting to the limited set of expert demonstrations or inadvertently imitating sub-optimal trajectories from the larger dataset. Our approach, which is based on inverse soft-Q learning, learns from both expert and sub-optimal demonstrations. It assigns higher importance (through learned weights) to aligning with expert demonstrations and lower importance to aligning with sub-optimal ones. A key contribution of our approach, called SPRINQL, is transforming the offline IL problem into a convex optimization over the space of Q functions. Through comprehensive experimental evaluations, we demonstrate that the SPRINQL algorithm achieves state-of-the-art (SOTA) performance on offline IL benchmarks. Code is available at https://github.com/hmhuy2000/SPRINQL.
Authors: Tianying Ji, Yongyuan Liang, Yan Zeng, Yu Luo, Guowei Xu, Jiawei Guo, Ruijie Zheng, Furong Huang, Fuchun Sun, Huazhe Xu
Abstract: The varying significance of distinct primitive behaviors during the policy learning process has been overlooked by prior model-free RL algorithms. Leveraging this insight, we explore the causal relationship between different action dimensions and rewards to evaluate the significance of various primitive behaviors during training. We introduce a causality-aware entropy term that effectively identifies and prioritizes actions with high potential impacts for efficient exploration. Furthermore, to prevent excessive focus on specific primitive behaviors, we analyze the gradient dormancy phenomenon and introduce a dormancy-guided reset mechanism to further enhance the efficacy of our method. Our proposed algorithm, ACE: Off-policy Actor-critic with Causality-aware Entropy regularization, demonstrates a substantial performance advantage across 29 diverse continuous control tasks spanning 7 domains compared to model-free RL baselines, which underscores the effectiveness, versatility, and efficient sample efficiency of our approach. Benchmark results and videos are available at https://ace-rl.github.io/.
Authors: Zihao Chen, Johannes Leugering, Gert Cauwenberghs, Shantanu Chakrabartty
Abstract: Learning-in-memory (LIM) is a recently proposed paradigm to overcome fundamental memory bottlenecks in training machine learning systems. While compute-in-memory (CIM) approaches can address the so-called memory-wall (i.e. energy dissipated due to repeated memory read access) they are agnostic to the energy dissipated due to repeated memory writes at the precision required for training (the update-wall), and they don't account for the energy dissipated when transferring information between short-term and long-term memories (the consolidation-wall). The LIM paradigm proposes that these bottlenecks, too, can be overcome if the energy barrier of physical memories is adaptively modulated such that the dynamics of memory updates and consolidation match the Lyapunov dynamics of gradient-descent training of an AI model. In this paper, we derive new theoretical lower bounds on energy dissipation when training AI systems using different LIM approaches. The analysis presented here is model-agnostic and highlights the trade-off between energy efficiency and the speed of training. The resulting non-equilibrium energy-efficiency bounds have a similar flavor as that of Landauer's energy-dissipation bounds. We also extend these limits by taking into account the number of floating-point operations (FLOPs) used for training, the size of the AI model, and the precision of the training parameters. Our projections suggest that the energy-dissipation lower-bound to train a brain scale AI system (comprising of $10^{15}$ parameters) using LIM is $10^8 \sim 10^9$ Joules, which is on the same magnitude the Landauer's adiabatic lower-bound and $6$ to $7$ orders of magnitude lower than the projections obtained using state-of-the-art AI accelerator hardware lower-bounds.
Authors: Harshit Kumar, Beomseok Kang, Biswadeep Chakraborty, Saibal Mukhopadhyay
Abstract: This paper presents the first systematic study of evalution of Deep Neural Network (DNN) designed and trained to predict the evolution of a stochastic dynamical system, using wildfire prediction as a case study. We show that traditional evaluation methods based on threshold based classification metrics and error-based scoring rules assess a DNN's ability to replicate the observed ground truth (GT), but do not measure the fidelity of the DNN's learning of the underlying stochastic process. To address this gap, we propose a new system property: Statistic-GT, representing the GT of the stochastic process, and an evaluation metric that exclusively assesses fidelity to Statistic-GT. Utilizing a synthetic dataset, we introduce a stochastic framework to characterize this property and establish criteria for a metric to be a valid measure of the proposed property. We formally show that Expected Calibration Error (ECE) tests the necessary condition for fidelity to Statistic-GT. We perform empirical experiments, differentiating ECE's behavior from conventional metrics and demonstrate that ECE exclusively measures fidelity to the stochastic process. Extending our analysis to real-world wildfire data, we highlight the limitations of traditional evaluation methods and discuss the utility of evaluating fidelity to the stochastic process alongside existing metrics.
Authors: Jonas H\"ubotter, Bhavya Sukhija, Lenart Treven, Yarden As, Andreas Krause
Abstract: We generalize active learning to address real-world settings with concrete prediction targets where sampling is restricted to an accessible region of the domain, while prediction targets may lie outside this region. We analyze a family of decision rules that sample adaptively to minimize uncertainty about prediction targets. We are the first to show, under general regularity assumptions, that such decision rules converge uniformly to the smallest possible uncertainty obtainable from the accessible data. We demonstrate their strong sample efficiency in two key applications: Active few-shot fine-tuning of large neural networks and safe Bayesian optimization, where they improve significantly upon the state-of-the-art.
Authors: Kaiqi Chen, Eugene Lim, Kelvin Lin, Yiyang Chen, Harold Soh
Abstract: Imitation learning empowers artificial agents to mimic behavior by learning from demonstrations. Recently, diffusion models, which have the ability to model high-dimensional and multimodal distributions, have shown impressive performance on imitation learning tasks. These models learn to shape a policy by diffusing actions (or states) from standard Gaussian noise. However, the target policy to be learned is often significantly different from Gaussian and this mismatch can result in poor performance when using a small number of diffusion steps (to improve inference speed) and under limited data. The key idea in this work is that initiating from a more informative source than Gaussian enables diffusion methods to mitigate the above limitations. We contribute both theoretical results, a new method, and empirical findings that show the benefits of using an informative source policy. Our method, which we call BRIDGER, leverages the stochastic interpolants framework to bridge arbitrary policies, thus enabling a flexible approach towards imitation learning. It generalizes prior work in that standard Gaussians can still be applied, but other source policies can be used if available. In experiments on challenging simulation benchmarks and on real robots, BRIDGER outperforms state-of-the-art diffusion policies. We provide further analysis on design considerations when applying BRIDGER. https://clear-nus.github.io/blog/bridger
Authors: Jiahao Wang, Sikun Yang, Heinz Koeppl, Xiuzhen Cheng, Pengfei Hu, Guoming Zhang
Abstract: Probabilistic approaches for handling count-valued time sequences have attracted amounts of research attentions because their ability to infer explainable latent structures and to estimate uncertainties, and thus are especially suitable for dealing with \emph{noisy} and \emph{incomplete} count data. Among these models, Poisson-Gamma Dynamical Systems (PGDSs) are proven to be effective in capturing the evolving dynamics underlying observed count sequences. However, the state-of-the-art PGDS still fails to capture the \emph{time-varying} transition dynamics that are commonly observed in real-world count time sequences. To mitigate this gap, a non-stationary PGDS is proposed to allow the underlying transition matrices to evolve over time, and the evolving transition matrices are modeled by sophisticatedly-designed Dirichlet Markov chains. Leveraging Dirichlet-Multinomial-Beta data augmentation techniques, a fully-conjugate and efficient Gibbs sampler is developed to perform posterior simulation. Experiments show that, in comparison with related models, the proposed non-stationary PGDS achieves improved predictive performance due to its capacity to learn non-stationary dependency structure captured by the time-evolving transition matrices.
Authors: Dongsung Huh
Abstract: We investigate a principled approach for symbolic operation completion (SOC), a minimal task for studying symbolic reasoning. While conceptually similar to matrix completion, SOC poses a unique challenge in modeling abstract relationships between discrete symbols. We demonstrate that SOC can be efficiently solved by a minimal model - a bilinear map - with a novel factorized architecture. Inspired by group representation theory, this architecture leverages matrix embeddings of symbols, modeling each symbol as an operator that dynamically influences others. Our model achieves perfect test accuracy on SOC with comparable or superior sample efficiency to Transformer baselines across most datasets, while boasting significantly faster learning speeds (100-1000$\times$). Crucially, the model exhibits an implicit bias towards learning general group structures, precisely discovering the unitary representations of underlying groups. This remarkable property not only confers interpretability but also significant implications for automatic symmetry discovery in geometric deep learning. Overall, our work establishes group theory as a powerful guiding principle for discovering abstract algebraic structures in deep learning, and showcases matrix representations as a compelling alternative to traditional vector embeddings for modeling symbolic relationships.
Authors: Raul P. Pelaez, Guillem Simeon, Raimondas Galvelis, Antonio Mirarchi, Peter Eastman, Stefan Doerr, Philipp Th\"olke, Thomas E. Markland, Gianni De Fabritiis
Abstract: Achieving a balance between computational speed, prediction accuracy, and universal applicability in molecular simulations has been a persistent challenge. This paper presents substantial advancements in the TorchMD-Net software, a pivotal step forward in the shift from conventional force fields to neural network-based potentials. The evolution of TorchMD-Net into a more comprehensive and versatile framework is highlighted, incorporating cutting-edge architectures such as TensorNet. This transformation is achieved through a modular design approach, encouraging customized applications within the scientific community. The most notable enhancement is a significant improvement in computational efficiency, achieving a very remarkable acceleration in the computation of energy and forces for TensorNet models, with performance gains ranging from 2-fold to 10-fold over previous iterations. Other enhancements include highly optimized neighbor search algorithms that support periodic boundary conditions and the smooth integration with existing molecular dynamics frameworks. Additionally, the updated version introduces the capability to integrate physical priors, further enriching its application spectrum and utility in research. The software is available at https://github.com/torchmd/torchmd-net.
Authors: Ivi Chatzi, Eleni Straitouri, Suhas Thejaswi, Manuel Gomez Rodriguez
Abstract: Large language models are often ranked according to their level of alignment with human preferences -- a model is better than other models if its outputs are more frequently preferred by humans. One of the popular ways to elicit human preferences utilizes pairwise comparisons between the outputs provided by different models to the same inputs. However, since gathering pairwise comparisons by humans is costly and time-consuming, it has become a common practice to gather pairwise comparisons by a strong large language model -- a model strongly aligned with human preferences. Surprisingly, practitioners cannot currently measure the uncertainty that any mismatch between human and model preferences may introduce in the constructed rankings. In this work, we develop a statistical framework to bridge this gap. Given a (small) set of pairwise comparisons by humans and a large set of pairwise comparisons by a model, our framework provides a rank-set -- a set of possible ranking positions -- for each of the models under comparison. Moreover, it guarantees that, with a probability greater than or equal to a user-specified value, the rank-sets cover the true ranking consistent with the distribution of human pairwise preferences asymptotically. Using pairwise comparisons made by humans in the LMSYS Chatbot Arena platform and pairwise comparisons made by three strong large language models, we empirically demonstrate the effectivity of our framework and show that the rank-sets constructed using only pairwise comparisons by the strong large language models are often inconsistent with (the distribution of) human pairwise preferences.
Authors: Emile Anand, Guannan Qu
Abstract: We study reinforcement learning for global decision-making in the presence of many local agents, where the global decision-maker makes decisions affecting all local agents, and the objective is to learn a policy that maximizes the rewards of both the global and the local agents. Such problems find many applications, e.g. demand response, EV charging, queueing, etc. In this setting, scalability has been a long-standing challenge due to the size of the state/action space which can be exponential in the number of agents. This work proposes the $\texttt{SUB-SAMPLE-Q}$ algorithm where the global agent subsamples $k\leq n$ local agents to compute an optimal policy in time that is only exponential in $k$, providing an exponential speedup from standard methods that are exponential in $n$. We show that the learned policy converges to the optimal policy in the order of $\tilde{O}(1/\sqrt{k}+\epsilon_{k,m})$ as the number of sub-sampled agents $k$ increases, where $\epsilon_{k,m}$ is the Bellman noise, by proving a novel generalization of the Dvoretzky-Kiefer-Wolfowitz inequality to the regime of sampling without replacement. We also conduct numerical simulations in a demand-response setting and a queueing setting.
Authors: Jiangbo Pei, Ruizhe Li, Aidong Men, Yang Liu, Xiahai Zhuang, Qingchao Chen
Abstract: Conventional Multi-Source Free Domain Adaptation (MSFDA) assumes that each source domain provides a single source model, and all source models adopt a uniform architecture. This paper introduces Zoo-MSFDA, a more general setting that allows each source domain to offer a zoo of multiple source models with different architectures. While it enriches the source knowledge, Zoo-MSFDA risks being dominated by suboptimal/harmful models. To address this issue, we theoretically analyze the model selection problem in Zoo-MSFDA, and introduce two principles: transferability principle and diversity principle. Recognizing the challenge of measuring transferability, we subsequently propose a novel Source-Free Unsupervised Transferability Estimation (SUTE). It enables assessing and comparing transferability across multiple source models with different architectures under domain shift, without requiring target labels and source data. Based on above, we introduce a Selection, Ensemble, and Adaptation (SEA) framework to address Zoo-MSFDA, which consists of: 1) source models selection based on the proposed principles and SUTE; 2) ensemble construction based on SUTE-estimated transferability; 3) target-domain adaptation of the ensemble model. Evaluations demonstrate that our SEA framework, with the introduced Zoo-MSFDA setting, significantly improves adaptation performance (e.g., 13.5% on DomainNet). Additionally, our SUTE achieves state-of-the-art performance in transferability estimation.
Authors: Benedikt Fesl, Benedikt B\"ock, Florian Strasser, Michael Baur, Michael Joham, Wolfgang Utschick
Abstract: Diffusion models (DMs) as generative priors have recently shown great potential for denoising tasks but lack theoretical understanding with respect to their mean square error (MSE) optimality. This paper proposes a novel denoising strategy inspired by the structure of the MSE-optimal conditional mean estimator (CME). The resulting DM-based denoiser can be conveniently employed using a pre-trained DM, being particularly fast by truncating reverse diffusion steps and not requiring stochastic re-sampling. We present a comprehensive (non-)asymptotic optimality analysis of the proposed diffusion-based denoiser, demonstrating polynomial-time convergence to the CME under mild conditions. Our analysis also derives a novel Lipschitz constant that depends solely on the DM's hyperparameters. Further, we offer a new perspective on DMs, showing that they inherently combine an asymptotically optimal denoiser with a powerful generator, modifiable by switching re-sampling in the reverse process on or off. The theoretical findings are thoroughly validated with experiments based on various benchmark datasets.
Authors: Sam Adam-Day, Michael Benedikt, \.Ismail \.Ilkan Ceylan, Ben Finkelshtein
Abstract: We present a new angle on the expressive power of graph neural networks (GNNs) by studying how the predictions of a GNN probabilistic classifier evolve as we apply it on larger graphs drawn from some random graph model. We show that the output converges to a constant function, which upper-bounds what these classifiers can uniformly express. This strong convergence phenomenon applies to a very wide class of GNNs, including state of the art models, with aggregates including mean and the attention-based mechanism of graph transformers. Our results apply to a broad class of random graph models, including sparse and dense variants of the Erd\H{o}s-R\'enyi model, the stochastic block model, and the Barab\'asi-Albert model. We empirically validate these findings, observing that the convergence phenomenon appears not only on random graphs but also on some real-world graphs.
Authors: Minsu Kim, Sanghyeok Choi, Hyeonah Kim, Jiwoo Son, Jinkyoo Park, Yoshua Bengio
Abstract: This paper introduces the Generative Flow Ant Colony Sampler (GFACS), a neural-guided probabilistic search algorithm for solving combinatorial optimization (CO). GFACS integrates generative flow networks (GFlowNets), an emerging amortized inference method, with ant colony optimization (ACO), a promising probabilistic search algorithm. Specifically, we use GFlowNets to learn a constructive policy in combinatorial spaces for enhancing ACO by providing an informed prior distribution over decision variables conditioned on input graph instances. Furthermore, we introduce a novel off-policy training algorithm for scaling conditional GFlowNets into large-scale combinatorial spaces by leveraging local search and shared energy normalization. Our experimental results demonstrate that GFACS outperforms baseline ACO algorithms in seven CO tasks and is competitive with problem-specific heuristics for vehicle routing problems.
Authors: Peiyuan Liu, Hang Guo, Tao Dai, Naiqi Li, Jigang Bao, Xudong Ren, Yong Jiang, Shu-Tao Xia
Abstract: Deep learning (e.g., Transformer) has been widely and successfully used in multivariate time series forecasting (MTSF). Unlike existing methods that focus on training models from a single modal of time series input, large language models (LLMs) based MTSF methods with cross-modal text and time series input have recently shown great superiority, especially with limited temporal data. However, current LLM-based MTSF methods usually focus on adapting and fine-tuning LLMs, while neglecting the distribution discrepancy between textual and temporal input tokens, thus leading to sub-optimal performance. To address this issue, we propose a novel Cross-Modal LLM Fine-Tuning (CALF) framework for MTSF by reducing the distribution discrepancy between textual and temporal data, which mainly consists of the temporal target branch with temporal input and the textual source branch with aligned textual input. To reduce the distribution discrepancy, we develop the cross-modal match module to first align cross-modal input distributions. Additionally, to minimize the modality distribution gap in both feature and output spaces, feature regularization loss is developed to align the intermediate features between the two branches for better weight updates, while output consistency loss is introduced to allow the output representations of both branches to correspond effectively. Thanks to the modality alignment, CALF establishes state-of-the-art performance for both long-term and short-term forecasting tasks with low computational complexity, and exhibiting favorable few-shot and zero-shot abilities similar to that in LLMs. Code is available at \url{https://github.com/Hank0626/LLaTA}.
Authors: Hang Gao, Jiaguo Yuan, Jiangmeng Li, Peng Qiao, Fengge Wu, Changwen Zheng, Huaping Liu
Abstract: Graph Neural Networks (GNNs) have garnered widespread attention for their potential to address the challenges posed by graph representation learning, which face complex graph-structured data across various domains. However, due to the inherent complexity and interconnectedness of graphs, accurately annotating graph data for training GNNs is extremely challenging. To address this issue, we have introduced Partial Label Learning (PLL) into graph representation learning. PLL is a critical weakly supervised learning problem where each training instance is associated with a set of candidate labels, including the ground-truth label and the additional interfering labels. PLL allows annotators to make errors, which reduces the difficulty of data labeling. Subsequently, we propose a novel graph representation learning method that enables GNN models to effectively learn discriminative information within the context of PLL. Our approach utilizes potential cause extraction to obtain graph data that holds causal relationships with the labels. By conducting auxiliary training based on the extracted graph data, our model can effectively eliminate the interfering information in the PLL scenario. We support the rationale behind our method with a series of theoretical analyses. Moreover, we conduct extensive evaluations and ablation studies on multiple datasets, demonstrating the superiority of our proposed method.
Authors: Brian Godwin Lim, Galvin Brice Lim, Renzo Roel Tan, Kazushi Ikeda
Abstract: Graph neural networks (GNNs) have gained significant attention in recent years for their ability to process data that may be represented as graphs. This success has prompted several studies to explore the representational capability of GNNs based on the graph isomorphism task. These works inherently assume a countable node feature representation, potentially limiting their applicability. Interestingly, only a few theoretical works study GNNs with uncountable node feature representation. This paper presents a novel perspective on the representational capability of GNNs across all levels - node-level, neighborhood-level, and graph-level - when the space of node feature representation is uncountable. Specifically, it relaxes the injective requirement in previous works by employing an implicit pseudometric distance on the space of input to create a soft-injective function. This allows distinct inputs to produce similar outputs only if the pseudometric deems the inputs to be sufficiently similar on some representation, which is often useful in practice. As a consequence, a novel soft-isomorphic relational graph convolution network (SIR-GCN) that emphasizes non-linear and contextualized transformation of neighborhood feature representations is proposed. A mathematical discussion on the relationship between SIR-GCN and widely used GNNs is then laid out to put the contribution in context, establishing SIR-GCN as a generalization of classical GNN methodologies. Experiments on synthetic and benchmark datasets demonstrate the relative superiority of SIR-GCN, outperforming comparable models in node and graph property prediction tasks.
Authors: Zheng Lin, Guanqiao Qu, Wei Wei, Xianhao Chen, Kin K. Leung
Abstract: The increasing complexity of deep neural networks poses significant barriers to democratizing them to resource-limited edge devices. To address this challenge, split federated learning (SFL) has emerged as a promising solution by of floading the primary training workload to a server via model partitioning while enabling parallel training among edge devices. However, although system optimization substantially influences the performance of SFL under resource-constrained systems, the problem remains largely uncharted. In this paper, we provide a convergence analysis of SFL which quantifies the impact of model splitting (MS) and client-side model aggregation (MA) on the learning performance, serving as a theoretical foundation. Then, we propose AdaptSFL, a novel resource-adaptive SFL framework, to expedite SFL under resource-constrained edge computing systems. Specifically, AdaptSFL adaptively controls client-side MA and MS to balance communication-computing latency and training convergence. Extensive simulations across various datasets validate that our proposed AdaptSFL framework takes considerably less time to achieve a target accuracy than benchmarks, demonstrating the effectiveness of the proposed strategies.
Authors: Jan-Hendrik Bastek, WaiChing Sun, Dennis M. Kochmann
Abstract: Generative models such as denoising diffusion models are quickly advancing their ability to approximate highly complex data distributions. They are also increasingly leveraged in scientific machine learning, where samples from the implied data distribution are expected to adhere to specific governing equations. We present a framework to inform denoising diffusion models of underlying constraints on such generated samples during model training. Our approach improves the alignment of the generated samples with the imposed constraints and significantly outperforms existing methods without affecting inference speed. Additionally, our findings suggest that incorporating such constraints during training provides a natural regularization against overfitting. Our framework is easy to implement and versatile in its applicability for imposing equality and inequality constraints as well as auxiliary optimization objectives.
Authors: Arash Badie-Modiri, Chiara Boldrini, Lorenzo Valerio, J\'anos Kert\'esz, M\'arton Karsai
Abstract: Fully decentralised federated learning enables collaborative training of individual machine learning models on distributed devices on a communication network while keeping the training data localised. This approach enhances data privacy and eliminates both the single point of failure and the necessity for central coordination. Our research highlights that the effectiveness of decentralised federated learning is significantly influenced by the network topology of connected devices. We propose a strategy for uncoordinated initialisation of the artificial neural networks, which leverages the distribution of eigenvector centralities of the nodes of the underlying communication network, leading to a radically improved training efficiency. Additionally, our study explores the scaling behaviour and choice of environmental parameters under our proposed initialisation strategy. This work paves the way for more efficient and scalable artificial neural network training in a distributed and uncoordinated environment, offering a deeper understanding of the intertwining roles of network structure and learning dynamics.
Authors: Qian Shao, Pradeep Varakantham, Shih-Fen Cheng
Abstract: Complex planning and scheduling problems have long been solved using various optimization or heuristic approaches. In recent years, imitation learning that aims to learn from expert demonstrations has been proposed as a viable alternative to solving these problems. Generally speaking, imitation learning is designed to learn either the reward (or preference) model or directly the behavioral policy by observing the behavior of an expert. Existing work in imitation learning and inverse reinforcement learning has focused on imitation primarily in unconstrained settings (e.g., no limit on fuel consumed by the vehicle). However, in many real-world domains, the behavior of an expert is governed not only by reward (or preference) but also by constraints. For instance, decisions on self-driving delivery vehicles are dependent not only on the route preferences/rewards (depending on past demand data) but also on the fuel in the vehicle and the time available. In such problems, imitation learning is challenging as decisions are not only dictated by the reward model but are also dependent on a cost-constrained model. In this paper, we provide multiple methods that match expert distributions in the presence of trajectory cost constraints through (a) Lagrangian-based method; (b) Meta-gradients to find a good trade-off between expected return and minimizing constraint violation; and (c) Cost-violation-based alternating gradient. We empirically show that leading imitation learning approaches imitate cost-constrained behaviors poorly and our meta-gradient-based approach achieves the best performance.
Authors: Dimitris Bertsimas, Vassilis Digalakis Jr, Yu Ma, Phevos Paschalidis
Abstract: We consider the task of retraining machine learning (ML) models when new batches of data become available. Existing methods focus largely on greedy approaches to find the best-performing model for each batch, without considering the stability of the model's structure across retraining iterations. In this study, we propose a methodology for finding sequences of ML models that are stable across retraining iterations. We develop a mixed-integer optimization formulation that is guaranteed to recover Pareto optimal models (in terms of the predictive power-stability trade-off) and an efficient polynomial-time algorithm that performs well in practice. We focus on retaining consistent analytical insights - which is important to model interpretability, ease of implementation, and fostering trust with users - by using custom-defined distance metrics that can be directly incorporated into the optimization problem. Our method shows stronger stability than greedily trained models with a small, controllable sacrifice in predictive power, as evidenced through a real-world case study in a major hospital system in Connecticut.
Authors: Ali Behrouz, Michele Santacatterina, Ramin Zabih
Abstract: Recent advances in deep learning have mainly relied on Transformers due to their data dependency and ability to learn at scale. The attention module in these architectures, however, exhibits quadratic time and space in input size, limiting their scalability for long-sequence modeling. State Space Models (SSMs), and more specifically Selective SSMs (S6), with efficient hardware-aware implementation, have shown promising potential for long causal sequence modeling. They, however, use separate blocks for each channel and fail to filter irrelevant channels and capture inter-channel dependencies. Natural attempt to mix information across channels using MLP, attention, or SSMs results in further instability in the training of SSMs for large networks and/or nearly double the number of parameters. We present the MambaMixer block, a new SSM-based architecture with data-dependent weights that uses a dual selection mechanism across tokens and channels-called Selective Token and Channel Mixer. To mitigate doubling the number of parameters, we present a new non-causal heuristic of the S6 block using quasi-separable kernels with a hardware-friendly implementation. We further present an efficient variant of MambaMixer, called QSMixer, that mixes information along both sequence and embedding dimensions. As a proof of concept, we design Vision MambaMixer (ViM2) and Vision QSMixer (ViQS) architectures. To enhance their ability to capture spatial information in images, we present Switch of Scans (SoS) that dynamically uses a set of useful image scans to traverse image patches. We evaluate the performance of our methods in image classification, segmentation, and object detection. Our results underline the importance of selectively mixing across both tokens and channels and show the competitive (resp. superior) performance of our methods with well-established vision models (resp. SSM-based models).
Authors: Qijun Luo, Hengxu Yu, Xiao Li
Abstract: This work presents BAdam, an optimization method that leverages the block coordinate descent framework with Adam as the inner solver. BAdam offers a memory efficient approach to the full parameter finetuning of large language models. We conduct theoretical convergence analysis for BAdam in the deterministic case. Experimentally, we apply BAdam to instruction-tune the Llama 2-7B and Llama 3-8B models using a single RTX3090-24GB GPU. The results confirm BAdam's efficiency in terms of memory and running time. Additionally, the convergence verification indicates that BAdam exhibits superior convergence behavior compared to LoRA. Furthermore, the downstream performance evaluation using the MT-bench shows that BAdam modestly surpasses LoRA and more substantially outperforms LOMO. Finally, we compare BAdam with Adam on a medium-sized task, i.e., finetuning RoBERTa-large on the SuperGLUE benchmark. The results demonstrate that BAdam is capable of narrowing the performance gap with Adam more effectively than LoRA. Our code is available at https://github.com/Ledzy/BAdam.
Authors: Junfan Li, Zenglin Xu, Zheshun Wu, Irwin King
Abstract: We consider online model selection with decentralized data over $M$ clients, and study the necessity of collaboration among clients. Previous work proposed various federated algorithms without demonstrating their necessity, while we answer the question from a novel perspective of computational constraints. We prove lower bounds on the regret, and propose a federated algorithm and analyze the upper bound. Our results show (i) collaboration is unnecessary in the absence of computational constraints on clients; (ii) collaboration is necessary if the computational cost on each client is limited to $o(K)$, where $K$ is the number of candidate hypothesis spaces. We clarify the unnecessary nature of collaboration in previous federated algorithms for distributed online multi-kernel learning, and improve the regret bounds at a smaller computational and communication cost. Our algorithm relies on three new techniques including an improved Bernstein's inequality for martingale, a federated online mirror descent framework, and decoupling model selection and prediction, which might be of independent interest.
Authors: Rishabh Agarwal, Avi Singh, Lei M. Zhang, Bernd Bohnet, Luis Rosias, Stephanie Chan, Biao Zhang, Ankesh Anand, Zaheer Abbas, Azade Nova, John D. Co-Reyes, Eric Chu, Feryal Behbahani, Aleksandra Faust, Hugo Larochelle
Abstract: Large language models (LLMs) excel at few-shot in-context learning (ICL) -- learning from a few examples provided in context at inference, without any weight updates. Newly expanded context windows allow us to investigate ICL with hundreds or thousands of examples -- the many-shot regime. Going from few-shot to many-shot, we observe significant performance gains across a wide variety of generative and discriminative tasks. While promising, many-shot ICL can be bottlenecked by the available amount of human-generated examples. To mitigate this limitation, we explore two new settings: Reinforced and Unsupervised ICL. Reinforced ICL uses model-generated chain-of-thought rationales in place of human examples. Unsupervised ICL removes rationales from the prompt altogether, and prompts the model only with domain-specific questions. We find that both Reinforced and Unsupervised ICL can be quite effective in the many-shot regime, particularly on complex reasoning tasks. Finally, we demonstrate that, unlike few-shot learning, many-shot learning is effective at overriding pretraining biases, can learn high-dimensional functions with numerical inputs, and performs comparably to fine-tuning. Our analysis also reveals the limitations of next-token prediction loss as an indicator of downstream ICL performance.
Authors: Akifumi Wachi, Thien Q. Tran, Rei Sato, Takumi Tanabe, Youhei Akimoto
Abstract: Safety and trustworthiness are indispensable requirements for real-world applications of AI systems using large language models (LLMs). This paper formulates human value alignment as an optimization problem of the language model policy to maximize reward under a safety constraint, and then proposes an algorithm, Stepwise Alignment for Constrained Policy Optimization (SACPO). One key idea behind SACPO, supported by theory, is that the optimal policy incorporating reward and safety can be directly obtained from a reward-aligned policy. Building on this key idea, SACPO aligns LLMs step-wise with each metric while leveraging simple yet powerful alignment algorithms such as direct preference optimization (DPO). SACPO offers several advantages, including simplicity, stability, computational efficiency, and flexibility of algorithms and datasets. Under mild assumptions, our theoretical analysis provides the upper bounds on optimality and safety constraint violation. Our experimental results show that SACPO can fine-tune Alpaca-7B better than the state-of-the-art method in terms of both helpfulness and harmlessness.
Authors: Yihao Zhang, Zeming Wei, Jun Sun, Meng Sun
Abstract: Since the development of Large Language Models (LLMs) has achieved remarkable success, understanding and controlling their internal complex mechanisms has become an urgent problem. Recent research has attempted to interpret their behaviors through the lens of inner representation. However, developing practical and efficient methods for applying these representations for general and flexible model editing remains challenging. In this work, we explore how to use representation engineering methods to guide the editing of LLMs by deploying a representation sensor as an oracle. We first identify the importance of a robust and reliable sensor during editing, then propose an Adversarial Representation Engineering (ARE) framework to provide a unified and interpretable approach for conceptual model editing without compromising baseline performance. Experiments on multiple model editing paradigms demonstrate the effectiveness of ARE in various settings. Code and data are available at https://github.com/Zhang-Yihao/Adversarial-Representation-Engineering.
URLs: https://github.com/Zhang-Yihao/Adversarial-Representation-Engineering.
Authors: Zezheng Song, Jiaxin Yuan, Haizhao Yang
Abstract: In this paper, we propose a pre-trained foundation model \textbf{FMint} (\textbf{F}oundation \textbf{M}odel based on \textbf{In}i\textbf{t}ialization), designed to speed up large-scale simulations of various differential equations with high accuracy via error correction. Human-designed simulation algorithms excel at capturing the fundamental physics of engineering problems, but often need to balance the trade-off between accuracy and efficiency. While deep learning methods offer innovative solutions across numerous scientific fields, they frequently fall short in domain-specific knowledge. FMint bridges these gaps through conditioning on the initial coarse solutions obtained from conventional human-designed algorithms, and trained to obtain refined solutions for various differential equations. Based on the backbone of large language models, we adapt the in-context learning scheme to learn a universal error correction method for dynamical systems from given prompted sequences of coarse solutions. The model is pre-trained on a corpus of 600K ordinary differential equations (ODEs), and we conduct extensive experiments on both in-distribution and out-of-distribution tasks. FMint outperforms various baselines on large-scale simulation, and demonstrates its capability in generalization to unseen ODEs. Our approach achieves an accuracy improvement of 1 to 2 orders of magnitude over state-of-the-art dynamical system simulators, and delivers a 5X speedup compared to traditional numerical algorithms.
Authors: Haozhe Tian, Homayoun Hamedmoghadam, Robert Shorten, Pietro Ferraro
Abstract: Reinforcement Learning (RL) is a powerful method for controlling dynamic systems, but its learning mechanism can lead to unpredictable actions that undermine the safety of critical systems. Here, we propose RL with Adaptive Control Regularization (RL-ACR), an algorithm that enables safe RL exploration by combining the RL policy with a policy regularizer that hard-codes safety constraints. We perform policy combination via a "focus network," which determines the appropriate combination depending on the state -- relying more on the safe policy regularizer for less-exploited states while allowing unbiased convergence for well-exploited states. In a series of critical control applications, we demonstrate that RL-ACR ensures safety during training while achieving the performance standards of model-free RL approaches that disregard safety.
Authors: Mikkel Odgaard, Kiril Vadimovic Klein, Sanne M{\o}ller Thysen, Espen Jimenez-Solem, Martin Sillesen, Mads Nielsen
Abstract: BERT-based models for Electronic Health Records (EHR) have surged in popularity following the release of BEHRT and Med-BERT. Subsequent models have largely built on these foundations despite the fundamental design choices of these pioneering models remaining underexplored. To address this issue, we introduce CORE-BEHRT, a Carefully Optimized and Rigorously Evaluated BEHRT. Through incremental optimization, we isolate the sources of improvement for key design choices, giving us insights into the effect of data representation and individual technical components on performance. Evaluating this across a set of generic tasks (death, pain treatment, and general infection), we showed that improving data representation can increase the average downstream performance from 0.785 to 0.797 AUROC, primarily when including medication and timestamps. Improving the architecture and training protocol on top of this increased average downstream performance to 0.801 AUROC. We then demonstrated the consistency of our optimization through a rigorous evaluation across 25 diverse clinical prediction tasks. We observed significant performance increases in 17 out of 25 tasks and improvements in 24 tasks, highlighting the generalizability of our findings. Our findings provide a strong foundation for future work and aim to increase the trustworthiness of BERT-based EHR models.
Authors: Chujie Zheng, Ziqi Wang, Heng Ji, Minlie Huang, Nanyun Peng
Abstract: The open-source community is experiencing a surge in the release of large language models (LLMs) that are trained to follow instructions and align with human preference. However, further training to improve them still requires expensive computational resources and data annotations. Is it possible to bypass additional training and cost-effectively acquire better-aligned models? Inspired by the literature on model interpolation, we propose a simple method called ExPO to boost LLMs' alignment with human preference. Utilizing a model that has undergone alignment training (e.g., via DPO or RLHF) and its initial SFT checkpoint, ExPO directly obtains a better-aligned model by extrapolating from the weights of the initial and the aligned models, which implicitly optimizes the alignment objective via first-order approximation. Through experiments with twelve open-source LLMs on HuggingFace, we demonstrate that ExPO consistently improves off-the-shelf DPO/RLHF models, as evaluated on the mainstream LLM benchmarks AlpacaEval 2.0 and MT-Bench. Moreover, ExPO exhibits remarkable scalability across various model sizes (from 1.8B to 70B) and capabilities. Through controlled experiments and further empirical analyses, we shed light on the essence of ExPO amplifying the reward signal learned during alignment training. Our work demonstrates the efficacy of model extrapolation in expediting the alignment of LLMs with human preference, suggesting a promising direction for future research.
Authors: Zheng Lian, Haiyang Sun, Licai Sun, Zhuofan Wen, Siyuan Zhang, Shun Chen, Hao Gu, Jinming Zhao, Ziyang Ma, Xie Chen, Jiangyan Yi, Rui Liu, Kele Xu, Bin Liu, Erik Cambria, Guoying Zhao, Bj\"orn W. Schuller, Jianhua Tao
Abstract: Multimodal emotion recognition is an important research topic in artificial intelligence. Over the past few decades, researchers have made remarkable progress by increasing dataset size and building more effective architectures. However, due to various reasons (such as complex environments and inaccurate annotations), current systems are hard to meet the demands of practical applications. Therefore, we organize a series of challenges around emotion recognition to further promote the development of this area. Last year, we launched MER2023, focusing on three topics: multi-label learning, noise robustness, and semi-supervised learning. This year, we continue to organize MER2024. In addition to expanding the dataset size, we introduce a new track around open-vocabulary emotion recognition. The main consideration for this track is that existing datasets often fix the label space and use majority voting to enhance annotator consistency, but this process may limit the model's ability to describe subtle emotions. In this track, we encourage participants to generate any number of labels in any category, aiming to describe the emotional state as accurately as possible. Our baseline is based on MERTools and the code is available at: https://github.com/zeroQiaoba/MERTools/tree/master/MER2024.
URLs: https://github.com/zeroQiaoba/MERTools/tree/master/MER2024.
Authors: Malte Lehna, Clara Holzh\"uter, Sven Tomforde, Christoph Scholz
Abstract: With the growth of Renewable Energy (RE) generation, the operation of power grids has become increasingly complex. One solution could be automated grid operation, where Deep Reinforcement Learning (DRL) has repeatedly shown significant potential in Learning to Run a Power Network (L2RPN) challenges. However, only individual actions at the substation level have been subjected to topology optimization by most existing DRL algorithms. In contrast, we propose a more holistic approach by proposing specific Target Topologies (TTs) as actions. These topologies are selected based on their robustness. As part of this paper, we present a search algorithm to find the TTs and upgrade our previously developed DRL agent CurriculumAgent (CAgent) to a novel topology agent. We compare the upgrade to the previous CAgent and can increase their L2RPN score significantly by 10%. Further, we achieve a 25% better median survival time with our TTs included. Later analysis shows that almost all TTs are close to the base topology, explaining their robustness
Authors: Yue Wu, Zhiqing Sun, Huizhuo Yuan, Kaixuan Ji, Yiming Yang, Quanquan Gu
Abstract: Traditional reinforcement learning from human feedback (RLHF) approaches relying on parametric models like the Bradley-Terry model fall short in capturing the intransitivity and irrationality in human preferences. Recent advancements suggest that directly working with preference probabilities can yield a more accurate reflection of human preferences, enabling more flexible and accurate language model alignment. In this paper, we propose a self-play-based method for language model alignment, which treats the problem as a constant-sum two-player game aimed at identifying the Nash equilibrium policy. Our approach, dubbed \textit{Self-play Probabilistic Preference Optimization} (SPPO), approximates the Nash equilibrium through iterative policy updates and enjoys a theoretical convergence guarantee. Our method can effectively increase the log-likelihood of the chosen response and decrease that of the rejected response, which cannot be trivially achieved by symmetric pairwise loss such as Direct Preference Optimization (DPO) and Identity Preference Optimization (IPO). In our experiments, using only 60k prompts (without responses) from the UltraFeedback dataset and without any prompt augmentation, by leveraging a pre-trained preference model PairRM with only 0.4B parameters, SPPO can obtain a model from fine-tuning Mistral-7B-Instruct-v0.2 that achieves the state-of-the-art length-controlled win-rate of 28.53\% against GPT-4-Turbo on AlpacaEval 2.0. It also outperforms the (iterative) DPO and IPO on MT-Bench and the Open LLM Leaderboard. Notably, the strong performance of SPPO is achieved without additional external supervision (e.g., responses, preferences, etc.) from GPT-4 or other stronger language models.
Authors: Jingyao Wang, Wenwen Qiang, Zeen Song, Lingyu Si, Jiangmeng Li, Changwen Zheng, Bing Su
Abstract: The goal of universality in self-supervised learning (SSL) is to learn universal representations from unlabeled data and achieve excellent performance on all samples and tasks. However, these methods lack explicit modeling of the universality in the learning objective, and the related theoretical understanding remains limited. This may cause models to overfit in data-scarce situations and generalize poorly in real life. To address these issues, we provide a theoretical definition of universality in SSL, which constrains both the learning and evaluation universality of the SSL models from the perspective of discriminability, transferability, and generalization. Then, we propose a $\sigma$-measurement to help quantify the score of one SSL model's universality. Based on the definition and measurement, we propose a general SSL framework, called GeSSL, to explicitly model universality into SSL. It introduces a self-motivated target based on $\sigma$-measurement, which enables the model to find the optimal update direction towards universality. Extensive theoretical and empirical evaluations demonstrate the superior performance of GeSSL.
Authors: Yuwei Liu, Chen Dan, Anubhav Bhatti, Bingjie Shen, Divij Gupta, Suraj Parmar, San Lee
Abstract: Sepsis is a leading cause of mortality in intensive care units (ICUs), representing a substantial medical challenge. The complexity of analyzing diverse vital signs to predict sepsis further aggravates this issue. While deep learning techniques have been advanced for early sepsis prediction, their 'black-box' nature obscures the internal logic, impairing interpretability in critical settings like ICUs. This paper introduces a framework that combines a deep learning model with an attention mechanism that highlights the critical time steps in the forecasting process, thus improving model interpretability and supporting clinical decision-making. We show that the attention mechanism could be adapted to various black box time series forecasting models such as N-HiTS and N-BEATS. Our method preserves the accuracy of conventional deep learning models while enhancing interpretability through attention-weight-generated heatmaps. We evaluated our model on the eICU-CRD dataset, focusing on forecasting vital signs for sepsis patients. We assessed its performance using mean squared error (MSE) and dynamic time warping (DTW) metrics. We explored the attention maps of N-HiTS and N-BEATS, examining the differences in their performance and identifying crucial factors influencing vital sign forecasting.
Authors: Simon Kristoffersson Lind, Ziliang Xiong, Per-Erik Forss\'en, Volker Kr\"uger
Abstract: When deploying deep neural networks on robots or other physical systems, the learned model should reliably quantify predictive uncertainty. A reliable uncertainty allows downstream modules to reason about the safety of its actions. In this work, we address metrics for evaluating such an uncertainty. Specifically, we focus on regression tasks, and investigate Area Under Sparsification Error (AUSE), Calibration Error, Spearman's Rank Correlation, and Negative Log-Likelihood (NLL). Using synthetic regression datasets, we look into how those metrics behave under four typical types of uncertainty, their stability regarding the size of the test set, and reveal their strengths and weaknesses. Our results indicate that Calibration Error is the most stable and interpretable metric, but AUSE and NLL also have their respective use cases. We discourage the usage of Spearman's Rank Correlation for evaluating uncertainties and recommend replacing it with AUSE.
Authors: Yijiang Pang, Shuyang Yu, Bao Hoang, Jiayu Zhou
Abstract: Hyperparameter tuning, particularly the selection of an appropriate learning rate in adaptive gradient training methods, remains a challenge. To tackle this challenge, in this paper, we propose a novel parameter-free optimizer, \textsc{AdamG} (Adam with the golden step size), designed to automatically adapt to diverse optimization problems without manual tuning. The core technique underlying \textsc{AdamG} is our golden step size derived for the AdaGrad-Norm algorithm, which is expected to help AdaGrad-Norm preserve the tuning-free convergence and approximate the optimal step size in expectation w.r.t. various optimization scenarios. To better evaluate tuning-free performance, we propose a novel evaluation criterion, \textit{reliability}, to comprehensively assess the efficacy of parameter-free optimizers in addition to classical performance criteria. Empirical results demonstrate that compared with other parameter-free baselines, \textsc{AdamG} achieves superior performance, which is consistently on par with Adam using a manually tuned learning rate across various optimization tasks.
Authors: Matt Schoenbauer, Daniele Moro, Lukasz Lew, Andrew Howard
Abstract: Quantization-aware training comes with a fundamental challenge: the derivative of quantization functions such as rounding are zero almost everywhere and nonexistent elsewhere. Various differentiable approximations of quantization functions have been proposed to address this issue. In this paper, we prove that when the learning rate is sufficiently small, a large class of weight gradient estimators is equivalent with the straight through estimator (STE). Specifically, after swapping in the STE and adjusting both the weight initialization and the learning rate in SGD, the model will train in almost exactly the same way as it did with the original gradient estimator. Moreover, we show that for adaptive learning rate algorithms like Adam, the same result can be seen without any modifications to the weight initialization and learning rate. We experimentally show that these results hold for both a small convolutional model trained on the MNIST dataset and for a ResNet50 model trained on ImageNet.
Authors: Christopher Amato
Abstract: Multi-agent reinforcement learning (MARL) has exploded in popularity in recent years. Many approaches have been developed but they can be divided into three main types: centralized training and execution (CTE), centralized training for decentralized execution (CTDE), and Decentralized training and execution (DTE).Decentralized training and execution methods make the fewest assumptions and are often simple to implement. In fact, as I'll discuss, any single-agent RL method can be used for DTE by just letting each agent learn separately. Of course, there are pros and cons to such approaches as I discuss below. It is worth noting that DTE is required if no offline coordination is available. That is, if all agents must learn during online interactions without prior coordination, learning and execution must both be decentralized. DTE methods can be applied in cooperative, competitive, or mixed cases but this text will focus on the cooperative MARL case. In this text, I will first give a brief description of the cooperative MARL problem in the form of the Dec-POMDP. Then, I will discuss value-based DTE methods starting with independent Q-learning and its extensions and then discuss the extension to the deep case with DQN, the additional complications this causes, and methods that have been developed to (attempt to) address these issues. Next, I will discuss policy gradient DTE methods starting with independent REINFORCE (i.e., vanilla policy gradient), and then extending to the actor-critic case and deep variants (such as independent PPO). Finally, I will discuss some general topics related to DTE and future directions.
Authors: Jo\~ao Vitor Pamplona, Jan Pablo Burgard
Abstract: To ensure unbiased and ethical automated predictions, fairness must be a core principle in machine learning applications. Fairness in machine learning aims to mitigate biases present in the training data and model imperfections that could lead to discriminatory outcomes. This is achieved by preventing the model from making decisions based on sensitive characteristics like ethnicity or sexual orientation. A fundamental assumption in machine learning is the independence of observations. However, this assumption often does not hold true for data describing social phenomena, where data points are often clustered based. Hence, if the machine learning models do not account for the cluster correlations, the results may be biased. Especially high is the bias in cases where the cluster assignment is correlated to the variable of interest. We present a fair mixed effects support vector machine algorithm that can handle both problems simultaneously. With a reproducible simulation study we demonstrate the impact of clustered data on the quality of fair machine learning predictions.
Authors: Drew Prinster, Samuel Stanton, Anqi Liu, Suchi Saria
Abstract: As machine learning (ML) gains widespread adoption, practitioners are increasingly seeking means to quantify and control the risk these systems incur. This challenge is especially salient when ML systems have autonomy to collect their own data, such as in black-box optimization and active learning, where their actions induce sequential feedback-loop shifts in the data distribution. Conformal prediction has emerged as a promising approach to uncertainty and risk quantification, but prior variants' validity guarantees have assumed some form of ``quasi-exchangeability'' on the data distribution, thereby excluding many types of sequential shifts. In this paper we prove that conformal prediction can theoretically be extended to \textit{any} joint data distribution, not just exchangeable or quasi-exchangeable ones, although it is exceedingly impractical to compute in the most general case. For practical applications, we outline a procedure for deriving specific conformal algorithms for any data distribution, and we use this procedure to derive tractable algorithms for a series of ML-agent-induced covariate shifts. We evaluate the proposed algorithms empirically on synthetic black-box optimization and active learning tasks.
Authors: Jesus Gonzalez-Sieiro, David Pardo, Vincenzo Nava, Victor M. Calo, Markus Towara
Abstract: We propose a method for reducing the spatial discretization error of coarse computational fluid dynamics (CFD) problems by enhancing the quality of low-resolution simulations using a deep learning model fed with high-quality data. We substitute the default differencing scheme for the convection term by a feed-forward neural network that interpolates velocities from cell centers to face values to produce velocities that approximate the fine-mesh data well. The deep learning framework incorporates the open-source CFD code OpenFOAM, resulting in an end-to-end differentiable model. We automatically differentiate the CFD physics using a discrete adjoint code version. We present a fast communication method between TensorFlow (Python) and OpenFOAM (c++) that accelerates the training process. We applied the model to the flow past a square cylinder problem, reducing the error to about 50% for simulations outside the training distribution compared to the traditional solver in the x- and y-velocity components using an 8x coarser mesh. The training is affordable in terms of time and data samples since the architecture exploits the local features of the physics while generating stable predictions for mid-term simulations.
Authors: Hanshu Yan, Xingchao Liu, Jiachun Pan, Jun Hao Liew, Qiang Liu, Jiashi Feng
Abstract: We present Piecewise Rectified Flow (PeRFlow), a flow-based method for accelerating diffusion models. PeRFlow divides the sampling process of generative flows into several time windows and straightens the trajectories in each interval via the reflow operation, thereby approaching piecewise linear flows. PeRFlow achieves superior performance in a few-step generation. Moreover, through dedicated parameterizations, the PeRFlow models inherit knowledge from the pretrained diffusion models. Thus, the training converges fast and the obtained models show advantageous transfer ability, serving as universal plug-and-play accelerators that are compatible with various workflows based on the pre-trained diffusion models. Codes for training and inference are publicly released. https://github.com/magic-research/piecewise-rectified-flow
URLs: https://github.com/magic-research/piecewise-rectified-flow
Authors: Jiarui Fang, Shangchun Zhao
Abstract: Sequence parallelism (SP), which divides the sequence dimension of input tensors across multiple computational devices, is becoming key to unlocking the long-context capabilities of generative AI models. This paper investigates the state-of-the-art SP approaches, i.e. DeepSpeed-Ulysses and Ring-Attention, and proposes a unified SP approach, which is more robust to transformer model architectures and network hardware topology. This paper compares the communication and memory cost of SP and existing parallelism, including data/tensor/zero/pipeline parallelism, and discusses the best practices for designing hybrid 4D parallelism involving SP. We achieved 47% MFU on two 8xA800 nodes using SP for the LLAMA3-8B model training using sequence length 208K. Our code is publicly available at https://github.com/feifeibear/long-context-attention.
Authors: Jan Pablo Burgard, Jo\~ao Vitor Pamplona
Abstract: When using machine learning for automated prediction, it is important to account for fairness in the prediction. Fairness in machine learning aims to ensure that biases in the data and model inaccuracies do not lead to discriminatory decisions. E.g., predictions from fair machine learning models should not discriminate against sensitive variables such as sexual orientation and ethnicity. The training data often in obtained from social surveys. In social surveys, oftentimes the data collection process is a strata sampling, e.g. due to cost restrictions. In strata samples, the assumption of independence between the observation is not fulfilled. Hence, if the machine learning models do not account for the strata correlations, the results may be biased. Especially high is the bias in cases where the strata assignment is correlated to the variable of interest. We present in this paper an algorithm that can handle both problems simultaneously, and we demonstrate the impact of stratified sampling on the quality of fair machine learning predictions in a reproducible simulation study.
Authors: Davin Choo, Themis Gouleakis, Chun Kai Ling, Arnab Bhattacharyya
Abstract: We study the problem of online unweighted bipartite matching with $n$ offline vertices and $n$ online vertices where one wishes to be competitive against the optimal offline algorithm. While the classic RANKING algorithm of Karp et al. [1990] provably attains competitive ratio of $1-1/e > 1/2$, we show that no learning-augmented method can be both 1-consistent and strictly better than $1/2$-robust under the adversarial arrival model. Meanwhile, under the random arrival model, we show how one can utilize methods from distribution testing to design an algorithm that takes in external advice about the online vertices and provably achieves competitive ratio interpolating between any ratio attainable by advice-free methods and the optimal ratio of 1, depending on the advice quality.
Authors: Stijn Verdenius, Andrea Zerio, Roy L. M. Wang
Abstract: We introduce LatentTimePFN (LaT-PFN), a foundational Time Series model with a strong embedding space that enables zero-shot forecasting. To achieve this, we perform in-context learning in latent space utilizing a novel integration of the Prior-data Fitted Networks (PFN) and Joint Embedding Predictive Architecture (JEPA) frameworks. We leverage the JEPA framework to create a prediction-optimized latent representation of the underlying stochastic process that generates time series and combines it with contextual learning, using a PFN. Furthermore, we improve on preceding works by utilizing related time series as a context and introducing a normalized abstract time axis. This reduces training time and increases the versatility of the model by allowing any time granularity and forecast horizon. We show that this results in superior zero-shot predictions compared to established baselines. We also demonstrate our latent space produces informative embeddings of both individual time steps and fixed-length summaries of entire series. Finally, we observe the emergence of multi-step patch embeddings without explicit training, suggesting the model actively learns discrete tokens that encode local structures in the data, analogous to vision transformers.
Authors: Vismaya V S, Alok Hareendran, Bharath V Nair, Sishu Shankar Muni, Martin Lellep
Abstract: This paper explores the prediction of subsequent steps in H\'enon Map using various machine learning techniques. The H\'enon map, well known for its chaotic behaviour, finds applications in various fields including cryptography, image encryption, and pattern recognition. Machine learning methods, particularly deep learning, are increasingly essential for understanding and predicting chaotic phenomena. This study evaluates the performance of different machine learning models including Random Forest, Recurrent Neural Network (RNN), Long Short-Term Memory (LSTM) networks, Support Vector Machines (SVM), and Feed Forward Neural Networks (FNN) in predicting the evolution of the H\'enon map. Results indicate that LSTM network demonstrate superior predictive accuracy, particularly in extreme event prediction. Furthermore, a comparison between LSTM and FNN models reveals the LSTM's advantage, especially for longer prediction horizons and larger datasets. This research underscores the significance of machine learning in elucidating chaotic dynamics and highlights the importance of model selection and dataset size in forecasting subsequent steps in chaotic systems.
Authors: Xin Li, Jingdong Zhang, Qunxi Zhu, Chengli Zhao, Xue Zhang, Xiaojun Duan, Wei Lin
Abstract: Modeling complex systems using standard neural ordinary differential equations (NODEs) often faces some essential challenges, including high computational costs and susceptibility to local optima. To address these challenges, we propose a simulation-free framework, called Fourier NODEs (FNODEs), that effectively trains NODEs by directly matching the target vector field based on Fourier analysis. Specifically, we employ the Fourier analysis to estimate temporal and potential high-order spatial gradients from noisy observational data. We then incorporate the estimated spatial gradients as additional inputs to a neural network. Furthermore, we utilize the estimated temporal gradient as the optimization objective for the output of the neural network. Later, the trained neural network generates more data points through an ODE solver without participating in the computational graph, facilitating more accurate estimations of gradients based on Fourier analysis. These two steps form a positive feedback loop, enabling accurate dynamics modeling in our framework. Consequently, our approach outperforms state-of-the-art methods in terms of training time, dynamics prediction, and robustness. Finally, we demonstrate the superior performance of our framework using a number of representative complex systems.
Authors: Qunxi Zhu, Wei Lin
Abstract: Continuous-time generative models, such as Flow Matching (FM), construct probability paths to transport between one distribution and another through the simulation-free learning of the neural ordinary differential equations (ODEs). During inference, however, the learned model often requires multiple neural network evaluations to accurately integrate the flow, resulting in a slow sampling speed. We attribute the reason to the inherent (joint) heterogeneity of source and/or target distributions, namely the singularity problem, which poses challenges for training the neural ODEs effectively. To address this issue, we propose a more general framework, termed Switched FM (SFM), that eliminates singularities via switching ODEs, as opposed to using a uniform ODE in FM. Importantly, we theoretically show that FM cannot transport between two simple distributions due to the existence and uniqueness of initial value problems of ODEs, while these limitations can be well tackled by SFM. From an orthogonal perspective, our framework can seamlessly integrate with the existing advanced techniques, such as minibatch optimal transport, to further enhance the straightness of the flow, yielding a more efficient sampling process with reduced costs. We demonstrate the effectiveness of the newly proposed SFM through several numerical examples.
Authors: Zhipeng Wan, Anda Cheng, Yinggui Wang, Lei Wang
Abstract: The widespread adoption of large language models (LLMs) has raised concerns regarding data privacy. This study aims to investigate the potential for privacy invasion through input reconstruction attacks, in which a malicious model provider could potentially recover user inputs from embeddings. We first propose two base methods to reconstruct original texts from a model's hidden states. We find that these two methods are effective in attacking the embeddings from shallow layers, but their effectiveness decreases when attacking embeddings from deeper layers. To address this issue, we then present Embed Parrot, a Transformer-based method, to reconstruct input from embeddings in deep layers. Our analysis reveals that Embed Parrot effectively reconstructs original inputs from the hidden states of ChatGLM-6B and Llama2-7B, showcasing stable performance across various token lengths and data distributions. To mitigate the risk of privacy breaches, we introduce a defense mechanism to deter exploitation of the embedding reconstruction process. Our findings emphasize the importance of safeguarding user privacy in distributed learning systems and contribute valuable insights to enhance the security protocols within such environments.
Authors: Yan Ru Pei, Olivier Coenen
Abstract: We introduce a class of models named PLEIADES (PoLynomial Expansion In Adaptive Distributed Event-based Systems), which contains temporal convolution kernels generated from orthogonal polynomial basis functions. We focus on interfacing these networks with event-based data to perform online spatiotemporal classification and detection with low latency. By virtue of using structured temporal kernels and event-based data, we have the freedom to vary the sample rate of the data along with the discretization step-size of the network without additional finetuning. We experimented with three event-based benchmarks and obtained state-of-the-art results on all three by large margins with significantly smaller memory and compute costs. We achieved: 1) 99.59% accuracy with 192K parameters on the DVS128 hand gesture recognition dataset and 100% with a small additional output filter; 2) 99.58% test accuracy with 277K parameters on the AIS 2024 eye tracking challenge; and 3) 0.556 mAP with 576k parameters on the PROPHESEE 1 Megapixel Automotive Detection Dataset.
Authors: Daniel T. Chang
Abstract: The conventional definition of hypergraph has two major issues: (1) there is not a standard definition of directed hypergraph and (2) there is not a formal definition of nested hypergraph. To resolve these issues, we propose a new definition of hypergraph that unifies the concepts of undirected, directed and nested hypergraphs, and that is uniform in using hyperedge as a single construct for representing high-order correlations among things, i.e., nodes and hyperedges. Specifically, we define a hyperedge to be a simple hyperedge, a nesting hyperedge, or a directed hyperedge. With this new definition, a hypergraph is nested if it has nesting hyperedge(s), and is directed if it has directed hyperedge(s). Otherwise, a hypergraph is a simple hypergraph. The uniformity and power of this new definition, with visualization, should facilitate the use of hypergraph for representing (hierarchical) high-order correlations in general and chemical systems in particular. Graph has been widely used as a mathematical structure for machine learning on molecular structures and 3D molecular geometries. However, graph has a major limitation: it can represent only pairwise correlations between nodes. Hypergraph extends graph with high-order correlations among nodes. This extension is significant or essential for machine learning on chemical systems. For molecules, this is significant as it allows the direct, explicit representation of multicenter bonds and molecular substructures. For chemical reactions, this is essential since most chemical reactions involve multiple participants. We propose the use of chemical hypergraph, a multilevel hypergraph with simple, nesting and directed hyperedges, as a single mathematical structure for representing chemical systems. We apply the new definition of hypergraph to chemical hypergraph and, as simplified versions, molecular hypergraph and chemical reaction hypergraph.
Authors: Zhicheng Zhang, Yong Wang, Shaoqi Tan, Bowei Xia, Yujie Luo
Abstract: Transformer-based models for long sequence time series forecasting (LSTF) problems have gained significant attention due to their exceptional forecasting precision. As the cornerstone of these models, the self-attention mechanism poses a challenge to efficient training and inference due to its quadratic time complexity. In this article, we propose a novel architectural design for Transformer-based models in LSTF, leveraging a substitution framework that incorporates Surrogate Attention Blocks and Surrogate FFN Blocks. The framework aims to boost any well-designed model's efficiency without sacrificing its accuracy. We further establish the equivalence of the Surrogate Attention Block to the self-attention mechanism in terms of both expressiveness and trainability. Through extensive experiments encompassing nine Transformer-based models across five time series tasks, we observe an average performance improvement of 9.45% while achieving a significant reduction in model size by 46%
Authors: Yusuke Yamazaki, Ali Harandi, Mayu Muramatsu, Alexandre Viardin, Markus Apel, Tim Brepols, Stefanie Reese, Shahed Rezaei
Abstract: We propose a novel finite element-based physics-informed operator learning framework that allows for predicting spatiotemporal dynamics governed by partial differential equations (PDEs). The proposed framework employs a loss function inspired by the finite element method (FEM) with the implicit Euler time integration scheme. A transient thermal conduction problem is considered to benchmark the performance. The proposed operator learning framework takes a temperature field at the current time step as input and predicts a temperature field at the next time step. The Galerkin discretized weak formulation of the heat equation is employed to incorporate physics into the loss function, which is coined finite operator learning (FOL). Upon training, the networks successfully predict the temperature evolution over time for any initial temperature field at high accuracy compared to the FEM solution. The framework is also confirmed to be applicable to a heterogeneous thermal conductivity and arbitrary geometry. The advantages of FOL can be summarized as follows: First, the training is performed in an unsupervised manner, avoiding the need for a large data set prepared from costly simulations or experiments. Instead, random temperature patterns generated by the Gaussian random process and the Fourier series, combined with constant temperature fields, are used as training data to cover possible temperature cases. Second, shape functions and backward difference approximation are exploited for the domain discretization, resulting in a purely algebraic equation. This enhances training efficiency, as one avoids time-consuming automatic differentiation when optimizing weights and biases while accepting possible discretization errors. Finally, thanks to the interpolation power of FEM, any arbitrary geometry can be handled with FOL, which is crucial to addressing various engineering application scenarios.
Authors: Meng Shang, Lenore Dedeyne, Jolan Dupont, Laura Vercauteren, Nadjia Amini, Laurence Lapauw, Evelien Gielen, Sabine Verschueren, Carolina Varon, Walter De Raedt, Bart Vanrumste
Abstract: The Otago Exercise Program (OEP) serves as a vital rehabilitation initiative for older adults, aiming to enhance their strength and balance, and consequently prevent falls. While Human Activity Recognition (HAR) systems have been widely employed in recognizing the activities of individuals, existing systems focus on the duration of macro activities (i.e. a sequence of repetitions of the same exercise), neglecting the ability to discern micro activities (i.e. the individual repetitions of the exercises), in the case of OEP. This study presents a novel semi-supervised machine learning approach aimed at bridging this gap in recognizing the micro activities of OEP. To manage the limited dataset size, our model utilizes a Transformer encoder for feature extraction, subsequently classified by a Temporal Convolutional Network (TCN). Simultaneously, the Transformer encoder is employed for masked unsupervised learning to reconstruct input signals. Results indicate that the masked unsupervised learning task enhances the performance of the supervised learning (classification task), as evidenced by f1-scores surpassing the clinically applicable threshold of 0.8. From the micro activities, two clinically relevant outcomes emerge: counting the number of repetitions of each exercise and calculating the velocity during chair rising. These outcomes enable the automatic monitoring of exercise intensity and difficulty in the daily lives of older adults.
Authors: Dongseong Hwang
Abstract: This paper establishes a mathematical foundation for the Adam optimizer, elucidating its connection to natural gradient descent through Riemannian and information geometry. We rigorously analyze the diagonal empirical Fisher information matrix (FIM) in Adam, clarifying all detailed approximations and advocating for the use of log probability functions as loss, which should be based on discrete distributions, due to the limitations of empirical FIM. Our analysis uncovers flaws in the original Adam algorithm, leading to proposed corrections such as enhanced momentum calculations, adjusted bias corrections, adaptive epsilon, and gradient clipping. We refine the weight decay term based on our theoretical framework. Our modified algorithm, Fisher Adam (FAdam), demonstrates superior performance across diverse domains including LLM, ASR, and VQ-VAE, achieving state-of-the-art results in ASR.
Authors: Haoyuan Sun, Zihao Wu, Bo Xia, Pu Chang, Zibin Dong, Yifu Yuan, Yongzhe Chang, Xueqian Wang
Abstract: The success of artificial neural networks (ANNs) hinges greatly on the judicious selection of an activation function, introducing non-linearity into network and enabling them to model sophisticated relationships in data. However, the search of activation functions has largely relied on empirical knowledge in the past, lacking theoretical guidance, which has hindered the identification of more effective activation functions. In this work, we offer a proper solution to such issue. Firstly, we theoretically demonstrate the existence of the worst activation function with boundary conditions (WAFBC) from the perspective of information entropy. Furthermore, inspired by the Taylor expansion form of information entropy functional, we propose the Entropy-based Activation Function Optimization (EAFO) methodology. EAFO methodology presents a novel perspective for designing static activation functions in deep neural networks and the potential of dynamically optimizing activation during iterative training. Utilizing EAFO methodology, we derive a novel activation function from ReLU, known as Correction Regularized ReLU (CRReLU). Experiments conducted with vision transformer and its variants on CIFAR-10, CIFAR-100 and ImageNet-1K datasets demonstrate the superiority of CRReLU over existing corrections of ReLU. Extensive empirical studies on task of large language model (LLM) fine-tuning, CRReLU exhibits superior performance compared to GELU, suggesting its broader potential for practical applications.
Authors: Henry Gouk, Ondrej Bohdal, Da Li, Timothy Hospedales
Abstract: We investigate the fundamental performance limitations of learning algorithms in several Domain Generalisation (DG) settings. Motivated by the difficulty with which previously proposed methods have in reliably outperforming Empirical Risk Minimisation (ERM), we derive upper bounds on the excess risk of ERM, and lower bounds on the minimax excess risk. Our findings show that in all the DG settings we consider, it is not possible to significantly outperform ERM. Our conclusions are limited not only to the standard covariate shift setting, but also two other settings with additional restrictions on how domains can differ. The first constrains all domains to have a non-trivial bound on pairwise distances, as measured by a broad class of integral probability metrics. The second alternate setting considers a restricted class of DG problems where all domains have the same underlying support. Our analysis also suggests how different strategies can be used to optimise the performance of ERM in each of these DG setting. We also experimentally explore hypotheses suggested by our theoretical analysis.
Authors: Cheng Zhang, Frederick A. Matsen IV
Abstract: Bayesian phylogenetic inference is currently done via Markov chain Monte Carlo (MCMC) with simple proposal mechanisms. This hinders exploration efficiency and often requires long runs to deliver accurate posterior estimates. In this paper, we present an alternative approach: a variational framework for Bayesian phylogenetic analysis. We propose combining subsplit Bayesian networks, an expressive graphical model for tree topology distributions, and a structured amortization of the branch lengths over tree topologies for a suitable variational family of distributions. We train the variational approximation via stochastic gradient ascent and adopt gradient estimators for continuous and discrete variational parameters separately to deal with the composite latent space of phylogenetic models. We show that our variational approach provides competitive performance to MCMC, while requiring much fewer (though more costly) iterations due to a more efficient exploration mechanism enabled by variational inference. Experiments on a benchmark of challenging real data Bayesian phylogenetic inference problems demonstrate the effectiveness and efficiency of our methods.
Authors: Hessa Al-Thani, Yubing Cui, Viswanath Nagarajan
Abstract: Adaptive submodularity is a fundamental concept in stochastic optimization, with numerous applications such as sensor placement, hypothesis identification and viral marketing. We consider the problem of minimum cost cover of adaptive-submodular functions, and provide a $4(1+\ln Q)$-approximation algorithm, where $Q$ is the goal value. In fact, we consider a significantly more general objective of minimizing the $p^{th}$ moment of the coverage cost, and show that our algorithm simultaneously achieves a $(p+1)^{p+1}\cdot (\ln Q+1)^p$ approximation guarantee for all $p\ge 1$. All our approximation ratios are best possible up to constant factors (assuming $P\ne NP$). Moreover, our results also extend to the setting where one wants to cover {\em multiple} adaptive-submodular functions. Finally, we evaluate the empirical performance of our algorithm on instances of hypothesis identification.
Authors: Luis A. Ortega, Sim\'on Rodr\'iguez Santana, Daniel Hern\'andez-Lobato
Abstract: The Linearized Laplace Approximation (LLA) has been recently used to perform uncertainty estimation on the predictions of pre-trained deep neural networks (DNNs). However, its widespread application is hindered by significant computational costs, particularly in scenarios with a large number of training points or DNN parameters. Consequently, additional approximations of LLA, such as Kronecker-factored or diagonal approximate GGN matrices, are utilized, potentially compromising the model's performance. To address these challenges, we propose a new method for approximating LLA using a variational sparse Gaussian Process (GP). Our method is based on the dual RKHS formulation of GPs and retains, as the predictive mean, the output of the original DNN. Furthermore, it allows for efficient stochastic optimization, which results in sub-linear training time in the size of the training dataset. Specifically, its training cost is independent of the number of training points. We compare our proposed method against accelerated LLA (ELLA), which relies on the Nystr\"om approximation, as well as other LLA variants employing the sample-then-optimize principle. Experimental results, both on regression and classification datasets, show that our method outperforms these already existing efficient variants of LLA, both in terms of the quality of the predictive distribution and in terms of total computational time.
Authors: Giovanni Morrone, Samuele Cornell, Luca Serafini, Enrico Zovato, Alessio Brutti, Stefano Squartini
Abstract: Recent works show that speech separation guided diarization (SSGD) is an increasingly promising direction, mainly thanks to the recent progress in speech separation. It performs diarization by first separating the speakers and then applying voice activity detection (VAD) on each separated stream. In this work we conduct an in-depth study of SSGD in the conversational telephone speech (CTS) domain, focusing mainly on low-latency streaming diarization applications. We consider three state-of-the-art speech separation (SSep) algorithms and study their performance both in online and offline scenarios, considering non-causal and causal implementations as well as continuous SSep (CSS) windowed inference. We compare different SSGD algorithms on two widely used CTS datasets: CALLHOME and Fisher Corpus (Part 1 and 2) and evaluate both separation and diarization performance. To improve performance, a novel, causal and computationally efficient leakage removal algorithm is proposed, which significantly decreases false alarms. We also explore, for the first time, fully end-to-end SSGD integration between SSep and VAD modules. Crucially, this enables fine-tuning on real-world data for which oracle speakers sources are not available. In particular, our best model achieves 8.8% DER on CALLHOME, which outperforms the current state-of-the-art end-to-end neural diarization model, despite being trained on an order of magnitude less data and having significantly lower latency, i.e., 0.1 vs. 1 s. Finally, we also show that the separated signals can be readily used also for automatic speech recognition, reaching performance close to using oracle sources in some configurations.
Authors: Xinyi Wu, Haohong Wang, Aggelos K. Katsaggelos
Abstract: User-generated cinematic creations are gaining popularity as our daily entertainment, yet it is a challenge to master cinematography for producing immersive contents. Many existing automatic methods focus on roughly controlling predefined shot types or movement patterns, which struggle to engage viewers with the circumstances of the actor. Real-world cinematographic rules show that directors can create immersion by comprehensively synchronizing the camera with the actor. Inspired by this strategy, we propose a deep camera control framework that enables actor-camera synchronization in three aspects, considering frame aesthetics, spatial action, and emotional status in the 3D virtual stage. Following rule-of-thirds, our framework first modifies the initial camera placement to position the actor aesthetically. This adjustment is facilitated by a self-supervised adjustor that analyzes frame composition via camera projection. We then design a GAN model that can adversarially synthesize fine-grained camera movement based on the physical action and psychological state of the actor, using an encoder-decoder generator to map kinematics and emotional variables into camera trajectories. Moreover, we incorporate a regularizer to align the generated stylistic variances with specific emotional categories and intensities. The experimental results show that our proposed method yields immersive cinematic videos of high quality, both quantitatively and qualitatively. Live examples can be found in the supplementary video.
Authors: Tiago de Souza Farias, Vitor Vaz Schultz, Jos\'e Carlos Merino Mombach, Jonas Maziero
Abstract: We introduce a novel framework for simulating spin models using differentiable programming, an approach that leverages the advancements in machine learning and computational efficiency. We focus on three distinct spin systems: the Ising model, the Potts model, and the Cellular Potts model, demonstrating the practicality and scalability of our framework in modeling these complex systems. Additionally, this framework allows for the optimization of spin models, which can adjust the parameters of a system by a defined objective function. In order to simulate these models, we adapt the Metropolis-Hastings algorithm to a differentiable programming paradigm, employing batched tensors for simulating spin lattices. This adaptation not only facilitates the integration with existing deep learning tools but also significantly enhances computational speed through parallel processing capabilities, as it can be implemented on different hardware architectures, including GPUs and TPUs.
Authors: Aras Selvi, Huikang Liu, Wolfram Wiesemann
Abstract: In recent years, differential privacy has emerged as the de facto standard for sharing statistics of datasets while limiting the disclosure of private information about the involved individuals. This is achieved by randomly perturbing the statistics to be published, which in turn leads to a privacy-accuracy trade-off: larger perturbations provide stronger privacy guarantees, but they result in less accurate statistics that offer lower utility to the recipients. Of particular interest are therefore optimal mechanisms that provide the highest accuracy for a pre-selected level of privacy. To date, work in this area has focused on specifying families of perturbations a priori and subsequently proving their asymptotic and/or best-in-class optimality. In this paper, we develop a class of mechanisms that enjoy non-asymptotic and unconditional optimality guarantees. To this end, we formulate the mechanism design problem as an infinite-dimensional distributionally robust optimization problem. We show that the problem affords a strong dual, and we exploit this duality to develop converging hierarchies of finite-dimensional upper and lower bounding problems. Our upper (primal) bounds correspond to implementable perturbations whose suboptimality can be bounded by our lower (dual) bounds. Both bounding problems can be solved within seconds via cutting plane techniques that exploit the inherent problem structure. Our numerical experiments demonstrate that our perturbations can outperform the previously best results from the literature on artificial as well as standard benchmark problems.
Authors: Dillon Reis, Jordan Kupec, Jacqueline Hong, Ahmad Daoudi
Abstract: This paper presents a generalized model for real-time detection of flying objects that can be used for transfer learning and further research, as well as a refined model that achieves state-of-the-art results for flying object detection. We achieve this by training our first (generalized) model on a data set containing 40 different classes of flying objects, forcing the model to extract abstract feature representations. We then perform transfer learning with these learned parameters on a data set more representative of real world environments (i.e. higher frequency of occlusion, very small spatial sizes, rotations, etc.) to generate our refined model. Object detection of flying objects remains challenging due to large variances of object spatial sizes/aspect ratios, rate of speed, occlusion, and clustered backgrounds. To address some of the presented challenges while simultaneously maximizing performance, we utilize the current state-of-the-art single-shot detector, YOLOv8, in an attempt to find the best trade-off between inference speed and mean average precision (mAP). While YOLOv8 is being regarded as the new state-of-the-art, an official paper has not been released as of yet. Thus, we provide an in-depth explanation of the new architecture and functionality that YOLOv8 has adapted. Our final generalized model achieves a mAP50 of 79.2%, mAP50-95 of 68.5%, and an average inference speed of 50 frames per second (fps) on 1080p videos. Our final refined model maintains this inference speed and achieves an improved mAP50 of 99.1% and mAP50-95 of 83.5%
Authors: Slavom\'ir Hanzely
Abstract: In this paper, we propose the first sketch-and-project Newton method with fast $\mathcal O(k^{-2})$ global convergence rate for self-concordant functions. Our method, SGN, can be viewed in three ways: i) as a sketch-and-project algorithm projecting updates of Newton method, ii) as a cubically regularized Newton ethod in sketched subspaces, and iii) as a damped Newton method in sketched subspaces. SGN inherits best of all three worlds: cheap iteration costs of sketch-and-project methods, state-of-the-art $\mathcal O(k^{-2})$ global convergence rate of full-rank Newton-like methods and the algorithm simplicity of damped Newton methods. Finally, we demonstrate its comparable empirical performance to baseline algorithms.
Authors: Mat\'ias P. Pizarro B., Dorothea Kolossa, Asja Fischer
Abstract: Adversarial attacks can mislead automatic speech recognition (ASR) systems into predicting an arbitrary target text, thus posing a clear security threat. To prevent such attacks, we propose DistriBlock, an efficient detection strategy applicable to any ASR system that predicts a probability distribution over output tokens in each time step. We measure a set of characteristics of this distribution: the median, maximum, and minimum over the output probabilities, the entropy of the distribution, as well as the Kullback-Leibler and the Jensen-Shannon divergence with respect to the distributions of the subsequent time step. Then, by leveraging the characteristics observed for both benign and adversarial data, we apply binary classifiers, including simple threshold-based classification, ensembles of such classifiers, and neural networks. Through extensive analysis across different state-of-the-art ASR systems and language data sets, we demonstrate the supreme performance of this approach, with a mean area under the receiver operating characteristic curve for distinguishing target adversarial examples against clean and noisy data of 99% and 97%, respectively. To assess the robustness of our method, we show that adaptive adversarial examples that can circumvent DistriBlock are much noisier, which makes them easier to detect through filtering and creates another avenue for preserving the system's robustness.
Authors: Vincent Zhihao Zheng, Seongjin Choi, Lijun Sun
Abstract: Deep probabilistic time series forecasting has gained attention for its ability to provide nonlinear approximation and valuable uncertainty quantification for decision-making. However, existing models often oversimplify the problem by assuming a time-independent error process and overlooking serial correlation. To overcome this limitation, we propose an innovative training method that incorporates error autocorrelation to enhance probabilistic forecasting accuracy. Our method constructs a mini-batch as a collection of $D$ consecutive time series segments for model training. It explicitly learns a time-varying covariance matrix over each mini-batch, encoding error correlation among adjacent time steps. The learned covariance matrix can be used to improve prediction accuracy and enhance uncertainty quantification. We evaluate our method on two different neural forecasting models and multiple public datasets. Experimental results confirm the effectiveness of the proposed approach in improving the performance of both models across a range of datasets, resulting in notable improvements in predictive accuracy.
Authors: Wonyoung Kim, Garud Iyengar, Assaf Zeevi
Abstract: We consider Pareto front identification (PFI) for linear bandits (PFILin), i.e., the goal is to identify a set of arms with undominated mean reward vectors when the mean reward vector is a linear function of the context. PFILin includes the best arm identification problem and multi-objective active learning as special cases. The sample complexity of our proposed algorithm is optimal up to a logarithmic factor. In addition, the regret incurred by our algorithm during the estimation is within a logarithmic factor of the optimal regret among all algorithms that identify the Pareto front. Our key contribution is a new estimator that in every round updates the estimate for the unknown parameter along multiple context directions -- in contrast to the conventional estimator that only updates the parameter estimate along the chosen context. This allows us to use low-regret arms to collect information about Pareto optimal arms. Our key innovation is to reuse the exploration samples multiple times; in contrast to conventional estimators that use each sample only once. Numerical experiments demonstrate that the proposed algorithm successfully identifies the Pareto front while controlling the regret.
Authors: Bonan Kou, Shengmai Chen, Zhijie Wang, Lei Ma, Tianyi Zhang
Abstract: Large Language Models (LLMs) have recently been widely used for code generation. Due to the complexity and opacity of LLMs, little is known about how these models generate code. We made the first attempt to bridge this knowledge gap by investigating whether LLMs attend to the same parts of a task description as human programmers during code generation. An analysis of six LLMs, including GPT-4, on two popular code generation benchmarks revealed a consistent misalignment between LLMs' and programmers' attention. We manually analyzed 211 incorrect code snippets and found five attention patterns that can be used to explain many code generation errors. Finally, a user study showed that model attention computed by a perturbation-based method is often favored by human programmers. Our findings highlight the need for human-aligned LLMs for better interpretability and programmer trust.
Authors: Hossein Aboutalebi, Dayou Mao, Rongqi Fan, Carol Xu, Chris He, Alexander Wong
Abstract: The tremendous recent advances in generative artificial intelligence techniques have led to significant successes and promise in a wide range of different applications ranging from conversational agents and textual content generation to voice and visual synthesis. Amid the rise in generative AI and its increasing widespread adoption, there has been significant growing concern over the use of generative AI for malicious purposes. In the realm of visual content synthesis using generative AI, key areas of significant concern has been image forgery (e.g., generation of images containing or derived from copyright content), and data poisoning (i.e., generation of adversarially contaminated images). Motivated to address these key concerns to encourage responsible generative AI, we introduce the DeepfakeArt Challenge, a large-scale challenge benchmark dataset designed specifically to aid in the building of machine learning algorithms for generative AI art forgery and data poisoning detection. Comprising of over 32,000 records across a variety of generative forgery and data poisoning techniques, each entry consists of a pair of images that are either forgeries / adversarially contaminated or not. Each of the generated images in the DeepfakeArt Challenge benchmark dataset \footnote{The link to the dataset: http://anon\_for\_review.com} has been quality checked in a comprehensive manner.
Authors: Emanuele Ballarin, Alessio Ansuini, Luca Bortolussi
Abstract: In this work, we propose a novel adversarial defence mechanism for image classification - CARSO - blending the paradigms of adversarial training and adversarial purification in a synergistic robustness-enhancing way. The method builds upon an adversarially-trained classifier, and learns to map its internal representation associated with a potentially perturbed input onto a distribution of tentative clean reconstructions. Multiple samples from such distribution are classified by the same adversarially-trained model, and an aggregation of its outputs finally constitutes the robust prediction of interest. Experimental evaluation by a well-established benchmark of strong adaptive attacks, across different image datasets, shows that CARSO is able to defend itself against adaptive end-to-end white-box attacks devised for stochastic defences. Paying a modest clean accuracy toll, our method improves by a significant margin the state-of-the-art for CIFAR-10, CIFAR-100, and TinyImageNet-200 $\ell_\infty$ robust classification accuracy against AutoAttack. Code, and instructions to obtain pre-trained models are available at https://github.com/emaballarin/CARSO .
Authors: Huong Ha, Vu Nguyen, Hung Tran-The, Hongyu Zhang, Xiuzhen Zhang, Anton van den Hengel
Abstract: Gaussian process (GP) based Bayesian optimization (BO) is a powerful method for optimizing black-box functions efficiently. The practical performance and theoretical guarantees of this approach depend on having the correct GP hyperparameter values, which are usually unknown in advance and need to be estimated from the observed data. However, in practice, these estimations could be incorrect due to biased data sampling strategies used in BO. This can lead to degraded performance and break the sub-linear global convergence guarantee of BO. To address this issue, we propose a new BO method that can sub-linearly converge to the objective function's global optimum even when the true GP hyperparameters are unknown in advance and need to be estimated from the observed data. Our method uses a multi-armed bandit technique (EXP3) to add random data points to the BO process, and employs a novel training loss function for the GP hyperparameter estimation process that ensures consistent estimation. We further provide theoretical analysis of our proposed method. Finally, we demonstrate empirically that our method outperforms existing approaches on various synthetic and real-world problems.
Authors: Ahmed Aloui, Ali Hasan, Yuting Ng, Miroslav Pajic, Vahid Tarokh
Abstract: Understanding treatment effects in extreme regimes is important for characterizing risks associated with different interventions. This is hindered by the unavailability of counterfactual outcomes and the rarity and difficulty of collecting extreme data in practice. To address this issue, we propose a new framework based on extreme value theory for estimating treatment effects in extreme regimes. We quantify these effects using variations in tail decay rates of potential outcomes in the presence and absence of treatments. We establish algorithms for calculating these quantities and develop related theoretical results. We demonstrate the efficacy of our approach on various standard synthetic and semi-synthetic datasets.
Authors: Michal Klein, Aram-Alexandre Pooladian, Pierre Ablin, Eug\`ene Ndiaye, Jonathan Niles-Weed, Marco Cuturi
Abstract: Given a source and a target probability measure supported on $\mathbb{R}^d$, the Monge problem asks to find the most efficient way to map one distribution to the other. This efficiency is quantified by defining a \textit{cost} function between source and target data. Such a cost is often set by default in the machine learning literature to the squared-Euclidean distance, $\ell^2_2(\mathbf{x},\mathbf{y})=\tfrac12|\mathbf{x}-\mathbf{y}|_2^2$. Recently, Cuturi et. al '23 highlighted the benefits of using elastic costs, defined through a regularizer $\tau$ as $c(\mathbf{x},\mathbf{y})=\ell^2_2(\mathbf{x},\mathbf{y})+\tau(\mathbf{x}-\mathbf{y})$. Such costs shape the \textit{displacements} of Monge maps $T$, i.e., the difference between a source point and its image $T(\mathbf{x})-\mathbf{x})$, by giving them a structure that matches that of the proximal operator of $\tau$. In this work, we make two important contributions to the study of elastic costs: (i) For any elastic cost, we propose a numerical method to compute Monge maps that are provably optimal. This provides a much-needed routine to create synthetic problems where the ground truth OT map is known, by analogy to the Brenier theorem, which states that the gradient of any convex potential is always a valid Monge map for the $\ell_2^2$ cost; (ii) We propose a loss to \textit{learn} the parameter $\theta$ of a parameterized regularizer $\tau_\theta$, and apply it in the case where $\tau_{A}(\mathbf{z})=|A^\perp \mathbf{z}|^2_2$. This regularizer promotes displacements that lie on a low dimensional subspace of $\mathbb{R}^d$, spanned by the $p$ rows of $A\in\mathbb{R}^{p\times d}$.
Authors: Daniel Hsu, Arya Mazumdar
Abstract: The logistic regression model is one of the most popular data generation model in noisy binary classification problems. In this work, we study the sample complexity of estimating the parameters of the logistic regression model up to a given $\ell_2$ error, in terms of the dimension and the inverse temperature, with standard normal covariates. The inverse temperature controls the signal-to-noise ratio of the data generation process. While both generalization bounds and asymptotic performance of the maximum-likelihood estimator for logistic regression are well-studied, the non-asymptotic sample complexity that shows the dependence on error and the inverse temperature for parameter estimation is absent from previous analyses. We show that the sample complexity curve has two change-points in terms of the inverse temperature, clearly separating the low, moderate, and high temperature regimes.
Authors: Frederic Wang, Han Qi, Alfredo De Goyeneche, Reinhard Heckel, Michael Lustig, Efrat Shimron
Abstract: Although deep learning (DL) methods are powerful for solving inverse problems, their reliance on high-quality training data is a major hurdle. This is significant in high-dimensional (dynamic/volumetric) magnetic resonance imaging (MRI), where acquisition of high-resolution fully sampled k-space data is impractical. We introduce a novel mathematical framework, dubbed k-band, that enables training DL models using only partial, limited-resolution k-space data. Specifically, we introduce training with stochastic gradient descent (SGD) over k-space subsets. In each training iteration, rather than using the fully sampled k-space for computing gradients, we use only a small k-space portion. This concept is compatible with different sampling strategies; here we demonstrate the method for k-space "bands", which have limited resolution in one dimension and can hence be acquired rapidly. We prove analytically that our method stochastically approximates the gradients computed in a fully-supervised setup, when two simple conditions are met: (i) the limited-resolution axis is chosen randomly-uniformly for every new scan, hence k-space is fully covered across the entire training set, and (ii) the loss function is weighed with a mask, derived here analytically, which facilitates accurate reconstruction of high-resolution details. Numerical experiments with raw MRI data indicate that k-band outperforms two other methods trained on limited-resolution data and performs comparably to state-of-the-art (SoTA) methods trained on high-resolution data. k-band hence obtains SoTA performance, with the advantage of training using only limited-resolution data. This work hence introduces a practical, easy-to-implement, self-supervised training framework, which involves fast acquisition and self-supervised reconstruction and offers theoretical guarantees.
Authors: Lin Deng, Michael Stanley Smith, Worapree Maneesoonthorn
Abstract: Skew-t copula models are attractive for the modeling of financial data because they allow for asymmetric and extreme tail dependence. We show that the copula implicit in the skew-t distribution of Azzalini and Capitanio (2003) allows for a higher level of pairwise asymmetric dependence than two popular alternative skew-t copulas. Estimation of this copula in high dimensions is challenging, and we propose a fast and accurate Bayesian variational inference (VI) approach to do so. The method uses a generative representation of the skew-t distribution to define an augmented posterior that can be approximated accurately. A stochastic gradient ascent algorithm is used to solve the variational optimization. The methodology is used to estimate skew-t factor copula models with up to 15 factors for intraday returns from 2017 to 2021 on 93 U.S. equities. The copula captures substantial heterogeneity in asymmetric dependence over equity pairs, in addition to the variability in pairwise correlations. In a moving window study we show that the asymmetric dependencies also vary over time, and that intraday predictive densities from the skew-t copula are more accurate than those from benchmark copula models. Portfolio selection strategies based on the estimated pairwise asymmetric dependencies improve performance relative to the index.
Authors: Wenhua Cheng, Weiwei Zhang, Haihao Shen, Yiyang Cai, Xin He, Kaokao Lv, Yi Liu
Abstract: Large Language Models (LLMs) have demonstrated exceptional proficiency in language-related tasks, but their deployment poses significant challenges due to substantial memory and storage requirements. Weight-only quantization has emerged as a promising solution to address these challenges. Previous research suggests that fine-tuning through up and down rounding can enhance performance. In this study, we introduce SignRound, a method that utilizes signed gradient descent (SignSGD) to optimize rounding values and weight clipping within just 200 steps. SignRound integrates the advantages of Quantization-Aware Training (QAT) and Post-Training Quantization (PTQ), achieving exceptional results across 2 to 4 bits while maintaining low tuning costs and avoiding additional inference overhead. For example, SignRound achieves absolute average accuracy improvements ranging from 6.91\% to 33.22\% at 2 bits. It also demonstrates robust generalization to recent models and achieves near-lossless quantization in most scenarios at 4 bits. The source code is publicly available at \url{https://github.com/intel/auto-round}.
Authors: Jiang-Xin Shi, Tong Wei, Zhi Zhou, Jie-Jing Shao, Xin-Yan Han, Yu-Feng Li
Abstract: The fine-tuning paradigm in addressing long-tail learning tasks has sparked significant interest since the emergence of foundation models. Nonetheless, how fine-tuning impacts performance in long-tail learning was not explicitly quantified. In this paper, we disclose that heavy fine-tuning may even lead to non-negligible performance deterioration on tail classes, and lightweight fine-tuning is more effective. The reason is attributed to inconsistent class conditions caused by heavy fine-tuning. With the observation above, we develop a low-complexity and accurate long-tail learning algorithms LIFT with the goal of facilitating fast prediction and compact models by adaptive lightweight fine-tuning. Experiments clearly verify that both the training time and the learned parameters are significantly reduced with more accurate predictive performance compared with state-of-the-art approaches.
Authors: Yilmazcan Ozyurt, Stefan Feuerriegel, Ce Zhang
Abstract: Document-level relation extraction aims at inferring structured human knowledge from textual documents. State-of-the-art methods for this task use pre-trained language models (LMs) via fine-tuning, yet fine-tuning is computationally expensive and cannot adapt to new relation types or new LMs. As a remedy, we leverage the generalization capabilities of pre-trained LMs and present a novel framework for document-level in-context few-shot relation extraction. Our framework has three strengths: it eliminates the need (1) for named entity recognition and (2) for human annotations of documents, and (3) it can be updated to new LMs without re-training. We evaluate our framework using DocRED, the largest publicly available dataset for document-level relation extraction, and demonstrate that our framework achieves state-of-the-art performance. We further show that our framework actually performs much better than the original labels from the development set of DocRED. Finally, we demonstrate that our complete framework yields consistent performance gains across diverse datasets and across different pre-trained LMs. To the best of our knowledge, we are the first to reformulate the document-level relation extraction task as a tailored in-context few-shot learning paradigm.
Authors: Marco Bornstein, Amrit Singh Bedi, Anit Kumar Sahu, Furqan Khan, Furong Huang
Abstract: Edge device participation in federating learning (FL) is typically studied through the lens of device-server communication (e.g., device dropout) and assumes an undying desire from edge devices to participate in FL. As a result, current FL frameworks are flawed when implemented in realistic settings, with many encountering the free-rider dilemma. In a step to push FL towards realistic settings, we propose RealFM: the first federated mechanism that (1) realistically models device utility, (2) incentivizes data contribution and device participation, (3) provably removes the free-rider dilemma, and (4) relaxes assumptions on data homogeneity and data sharing. Compared to previous FL mechanisms, RealFM allows for a non-linear relationship between model accuracy and utility, which improves the utility gained by the server and participating devices. On real-world data, RealFM improves device and server utility, as well as data contribution, by over 3 and 4 magnitudes respectively compared to baselines.
Authors: Andy Yang, David Chiang, Dana Angluin
Abstract: The expressive power of transformers over inputs of unbounded size can be studied through their ability to recognize classes of formal languages. We consider transformer encoders with hard attention (in which all attention is focused on exactly one position) and strict future masking (in which each position only attends to positions strictly to its left), and prove that they are equivalent to linear temporal logic (LTL), which defines exactly the star-free languages. A key technique is the use of Boolean RASP as a convenient intermediate language between transformers and LTL. We then take numerous results known for LTL and apply them to transformers, characterizing how position embeddings, strict masking, and depth increase expressive power.
Authors: Haoxiang Wang, Pavan Kumar Anasosalu Vasu, Fartash Faghri, Raviteja Vemulapalli, Mehrdad Farajtabar, Sachin Mehta, Mohammad Rastegari, Oncel Tuzel, Hadi Pouransari
Abstract: The landscape of publicly available vision foundation models (VFMs), such as CLIP and Segment Anything Model (SAM), is expanding rapidly. VFMs are endowed with distinct capabilities stemming from their pre-training objectives. For instance, CLIP excels in semantic understanding, while SAM specializes in spatial understanding for segmentation. In this work, we introduce a simple recipe to efficiently merge VFMs into a unified model that absorbs their expertise. Our method integrates techniques of multi-task learning, continual learning, and distillation. Further, it demands significantly less computational cost compared to traditional multi-task training from scratch, and it only needs a small fraction of the pre-training datasets that were initially used to train individual models. By applying our method to SAM and CLIP, we obtain SAM-CLIP: a unified model that combines the capabilities of SAM and CLIP into a single vision transformer. Compared with deploying SAM and CLIP independently, our merged model, SAM-CLIP, reduces storage and compute costs for inference, making it well-suited for edge device applications. We show that SAM-CLIP not only retains the foundational strengths of SAM and CLIP, but also introduces synergistic functionalities, notably in zero-shot semantic segmentation, where SAM-CLIP establishes new state-of-the-art results on 5 benchmarks. It outperforms previous models that are specifically designed for this task by a large margin, including +6.8% and +5.9% mean IoU improvement on Pascal-VOC and COCO-Stuff datasets, respectively.
Authors: Yoshua Bengio, Geoffrey Hinton, Andrew Yao, Dawn Song, Pieter Abbeel, Trevor Darrell, Yuval Noah Harari, Ya-Qin Zhang, Lan Xue, Shai Shalev-Shwartz, Gillian Hadfield, Jeff Clune, Tegan Maharaj, Frank Hutter, At{\i}l{\i}m G\"une\c{s} Baydin, Sheila McIlraith, Qiqi Gao, Ashwin Acharya, David Krueger, Anca Dragan, Philip Torr, Stuart Russell, Daniel Kahneman, Jan Brauner, S\"oren Mindermann
Abstract: Artificial Intelligence (AI) is progressing rapidly, and companies are shifting their focus to developing generalist AI systems that can autonomously act and pursue goals. Increases in capabilities and autonomy may soon massively amplify AI's impact, with risks that include large-scale social harms, malicious uses, and an irreversible loss of human control over autonomous AI systems. Although researchers have warned of extreme risks from AI, there is a lack of consensus about how exactly such risks arise, and how to manage them. Society's response, despite promising first steps, is incommensurate with the possibility of rapid, transformative progress that is expected by many experts. AI safety research is lagging. Present governance initiatives lack the mechanisms and institutions to prevent misuse and recklessness, and barely address autonomous systems. In this short consensus paper, we describe extreme risks from upcoming, advanced AI systems. Drawing on lessons learned from other safety-critical technologies, we then outline a comprehensive plan combining technical research and development with proactive, adaptive governance mechanisms for a more commensurate preparation.
Authors: Wenqian Xing, Jungho Lee, Chong Liu, Shixiang Zhu
Abstract: Black-box optimization (BBO) has become increasingly relevant for tackling complex decision-making problems, especially in public policy domains such as police districting. However, its broader application in public policymaking is hindered by the complexity of defining feasible regions and the high-dimensionality of decisions. This paper introduces a novel BBO framework, termed as the Conditional And Generative Black-box Optimization (CageBO). This approach leverages a conditional variational autoencoder to learn the distribution of feasible decisions, enabling a two-way mapping between the original decision space and a simplified, constraint-free latent space. The CageBO efficiently handles the implicit constraints often found in public policy applications, allowing for optimization in the latent space while evaluating objectives in the original space. We validate our method through a case study on large-scale police districting problems in Atlanta, Georgia. Our results reveal that our CageBO offers notable improvements in performance and efficiency compared to the baselines.
Authors: Yuting Liu, Enneng Yang, Yizhou Dang, Guibing Guo, Qiang Liu, Yuliang Liang, Linying Jiang, Xingwei Wang
Abstract: Multimodal recommendation aims to model user and item representations comprehensively with the involvement of multimedia content for effective recommendations. Existing research has shown that it is beneficial for recommendation performance to combine (user- and item-) ID embeddings with multimodal salient features, indicating the value of IDs. However, there is a lack of a thorough analysis of the ID embeddings in terms of feature semantics in the literature. In this paper, we revisit the value of ID embeddings for multimodal recommendation and conduct a thorough study regarding its semantics, which we recognize as subtle features of \emph{content} and \emph{structure}. Based on our findings, we propose a novel recommendation model by incorporating ID embeddings to enhance the salient features of both content and structure. Specifically, we put forward a hierarchical attention mechanism to incorporate ID embeddings in modality fusing, coupled with contrastive learning, to enhance content representations. Meanwhile, we propose a lightweight graph convolution network for each modality to amalgamate neighborhood and ID embeddings for improving structural representations. Finally, the content and structure representations are combined to form the ultimate item embedding for recommendation. Extensive experiments on three real-world datasets (Baby, Sports, and Clothing) demonstrate the superiority of our method over state-of-the-art multimodal recommendation methods and the effectiveness of fine-grained ID embeddings. Our code is available at https://anonymous.4open.science/r/IDSF-code/.
Authors: S. M. Nabil Ashraf, Md. Adyelullahil Mamun, Hasnat Md. Abdullah, Md. Golam Rabiul Alam
Abstract: Chest X-rays are widely used to diagnose thoracic diseases, but the lack of detailed information about these abnormalities makes it challenging to develop accurate automated diagnosis systems, which is crucial for early detection and effective treatment. To address this challenge, we employed deep learning techniques to identify patterns in chest X-rays that correspond to different diseases. We conducted experiments on the "ChestX-ray14" dataset using various pre-trained CNNs, transformers, hybrid(CNN+Transformer) models and classical models. The best individual model was the CoAtNet, which achieved an area under the receiver operating characteristic curve (AUROC) of 84.2%. By combining the predictions of all trained models using a weighted average ensemble where the weight of each model was determined using differential evolution, we further improved the AUROC to 85.4%, outperforming other state-of-the-art methods in this field. Our findings demonstrate the potential of deep learning techniques, particularly ensemble deep learning, for improving the accuracy of automatic diagnosis of thoracic diseases from chest X-rays. Code available at:https://github.com/syednabilashraf/SynthEnsemble
Authors: Dhruv Agarwal, Rajarshi Das, Sopan Khosla, Rashmi Gangadharaiah
Abstract: We present BYOKG, a universal question-answering (QA) system that can operate on any knowledge graph (KG), requires no human-annotated training data, and can be ready to use within a day -- attributes that are out-of-scope for current KGQA systems. BYOKG draws inspiration from the remarkable ability of humans to comprehend information present in an unseen KG through exploration -- starting at random nodes, inspecting the labels of adjacent nodes and edges, and combining them with their prior world knowledge. In BYOKG, exploration leverages an LLM-backed symbolic agent that generates a diverse set of query-program exemplars, which are then used to ground a retrieval-augmented reasoning procedure to predict programs for arbitrary questions. BYOKG is effective over both small- and large-scale graphs, showing dramatic gains in QA accuracy over a zero-shot baseline of 27.89 and 58.02 F1 on GrailQA and MetaQA, respectively. On GrailQA, we further show that our unsupervised BYOKG outperforms a supervised in-context learning method, demonstrating the effectiveness of exploration. Lastly, we find that performance of BYOKG reliably improves with continued exploration as well as improvements in the base LLM, notably outperforming a state-of-the-art fine-tuned model by 7.08 F1 on a sub-sampled zero-shot split of GrailQA.
Authors: Wei Zhang, Dai Li, Chen Liang, Fang Zhou, Zhongke Zhang, Xuewei Wang, Ru Li, Yi Zhou, Yaning Huang, Dong Liang, Kai Wang, Zhangyuan Wang, Zhengxing Chen, Fenggang Wu, Minghai Chen, Huayu Li, Yunnan Wu, Zhan Shu, Mindi Yuan, Sri Reddy
Abstract: Effective user representations are pivotal in personalized advertising. However, stringent constraints on training throughput, serving latency, and memory, often limit the complexity and input feature set of online ads ranking models. This challenge is magnified in extensive systems like Meta's, which encompass hundreds of models with diverse specifications, rendering the tailoring of user representation learning for each model impractical. To address these challenges, we present Scaling User Modeling (SUM), a framework widely deployed in Meta's ads ranking system, designed to facilitate efficient and scalable sharing of online user representation across hundreds of ads models. SUM leverages a few designated upstream user models to synthesize user embeddings from massive amounts of user features with advanced modeling techniques. These embeddings then serve as inputs to downstream online ads ranking models, promoting efficient representation sharing. To adapt to the dynamic nature of user features and ensure embedding freshness, we designed SUM Online Asynchronous Platform (SOAP), a latency free online serving system complemented with model freshness and embedding stabilization, which enables frequent user model updates and online inference of user embeddings upon each user request. We share our hands-on deployment experiences for the SUM framework and validate its superiority through comprehensive experiments. To date, SUM has been launched to hundreds of ads ranking models in Meta, processing hundreds of billions of user requests daily, yielding significant online metric gains and improved infrastructure efficiency.
Authors: Xin Yue, Xiaoling Liu, Qing Zhao, Jianqiang Li, Changwei Song, Suqin Liu, Zhikai Yang, Guanghui Fu
Abstract: Ultrasound imaging plays a critical role in the early detection of breast cancer. Accurate identification and segmentation of lesions are essential steps in clinical practice, requiring methods to assist physicians in lesion segmentation. However, ultrasound lesion segmentation models based on supervised learning require extensive manual labeling, which is both time-consuming and labor-intensive. In this study, we present a novel framework for weakly supervised lesion segmentation in early breast ultrasound images. Our method uses morphological enhancement and class activation map (CAM)-guided localization. Finally, we employ the Segment Anything Model (SAM), a computer vision foundation model, for detailed segmentation. This approach does not require pixel-level annotation, thereby reducing the cost of data annotation. The performance of our method is comparable to supervised learning methods that require manual annotations, achieving a Dice score of 74.39% and outperforming comparative supervised models in terms of Hausdorff distance in the BUSI dataset. These results demonstrate that our framework effectively integrates weakly supervised learning with SAM, providing a promising solution for breast cancer image analysis. The code for this study is available at: https://github.com/YueXin18/MorSeg-CAM-SAM.
Authors: Julian Berberich, Daniel Fink, Daniel Pranji\'c, Christian Tutschku, Christian Holm
Abstract: Adversarial robustness and generalization are both crucial properties of reliable machine learning models. In this paper, we study these properties in the context of quantum machine learning based on Lipschitz bounds. We derive parameter-dependent Lipschitz bounds for quantum models with trainable encoding, showing that the norm of the data encoding has a crucial impact on the robustness against data perturbations. Further, we derive a bound on the generalization error which explicitly involves the parameters of the data encoding. Our theoretical findings give rise to a practical strategy for training robust and generalizable quantum models by regularizing the Lipschitz bound in the cost. Further, we show that, for fixed and non-trainable encodings, as those frequently employed in quantum machine learning, the Lipschitz bound cannot be influenced by tuning the parameters. Thus, trainable encodings are crucial for systematically adapting robustness and generalization during training. The practical implications of our theoretical findings are illustrated with numerical results.
Authors: Anil Batra, Davide Moltisanti, Laura Sevilla-Lara, Marcus Rohrbach, Frank Keller
Abstract: Procedural videos, exemplified by recipe demonstrations, are instrumental in conveying step-by-step instructions. However, understanding such videos is challenging as it involves the precise localization of steps and the generation of textual instructions. Manually annotating steps and writing instructions is costly, which limits the size of current datasets and hinders effective learning. Leveraging large but noisy video-transcript datasets for pre-training can boost performance but demands significant computational resources. Furthermore, transcripts contain irrelevant content and differ in style from human-written instructions. To mitigate these issues, we propose a novel technique, Sieve-&-Swap, to automatically generate high quality training data for the recipe domain: (i) Sieve filters irrelevant transcripts and (ii) Swap acquires high quality text by replacing transcripts with human-written instruction from a text-only recipe dataset. The resulting dataset is three orders of magnitude smaller than current web-scale datasets but enables efficient training of large-scale models. Alongside Sieve-&-Swap, we propose Procedure Transformer (ProcX), a model for end-to-end step localization and instruction generation for procedural videos. When pre-trained on our curated dataset, this model achieves state-of-the-art performance on YouCook2 and Tasty while using a fraction of the training data. Our code and dataset will be publicly released.
Authors: Roy T. Forestano, Mar\c{c}al Comajoan Cara, Gopal Ramesh Dahale, Zhongtian Dong, Sergei Gleyzer, Daniel Justice, Kyoungchul Kong, Tom Magorsch, Konstantin T. Matchev, Katia Matcheva, Eyup B. Unlu
Abstract: Machine learning algorithms are heavily relied on to understand the vast amounts of data from high-energy particle collisions at the CERN Large Hadron Collider (LHC). The data from such collision events can naturally be represented with graph structures. Therefore, deep geometric methods, such as graph neural networks (GNNs), have been leveraged for various data analysis tasks in high-energy physics. One typical task is jet tagging, where jets are viewed as point clouds with distinct features and edge connections between their constituent particles. The increasing size and complexity of the LHC particle datasets, as well as the computational models used for their analysis, greatly motivate the development of alternative fast and efficient computational paradigms such as quantum computation. In addition, to enhance the validity and robustness of deep networks, one can leverage the fundamental symmetries present in the data through the use of invariant inputs and equivariant layers. In this paper, we perform a fair and comprehensive comparison between classical graph neural networks (GNNs) and equivariant graph neural networks (EGNNs) and their quantum counterparts: quantum graph neural networks (QGNNs) and equivariant quantum graph neural networks (EQGNN). The four architectures were benchmarked on a binary classification task to classify the parton-level particle initiating the jet. Based on their AUC scores, the quantum networks were shown to outperform the classical networks. However, seeing the computational advantage of the quantum networks in practice may have to wait for the further development of quantum technology and its associated APIs.
Authors: Benjamin M. Ampel, Chi-Heng Yang, James Hu, Hsinchun Chen
Abstract: The exponential growth of digital content has generated massive textual datasets, necessitating the use of advanced analytical approaches. Large Language Models (LLMs) have emerged as tools that are capable of processing and extracting insights from massive unstructured textual datasets. However, how to leverage LLMs for text analytics Information Systems (IS) research is currently unclear. To assist the IS community in understanding how to operationalize LLMs, we propose a Text Analytics for Information Systems Research (TAISR) framework. Our proposed framework provides detailed recommendations grounded in IS and LLM literature on how to conduct meaningful text analytics IS research for design science, behavioral, and econometric streams. We conducted three business intelligence case studies using our TAISR framework to demonstrate its application in several IS research contexts. We also outline the potential challenges and limitations of adopting LLMs for IS. By offering a systematic approach and evidence of its utility, our TAISR framework contributes to future IS research streams looking to incorporate powerful LLMs for text analytics.
Authors: Bruce D. Lee, Anders Rantzer, Nikolai Matni
Abstract: The strategy of pre-training a large model on a diverse dataset, then fine-tuning for a particular application has yielded impressive results in computer vision, natural language processing, and robotic control. This strategy has vast potential in adaptive control, where it is necessary to rapidly adapt to changing conditions with limited data. Toward concretely understanding the benefit of pre-training for adaptive control, we study the adaptive linear quadratic control problem in the setting where the learner has prior knowledge of a collection of basis matrices for the dynamics. This basis is misspecified in the sense that it cannot perfectly represent the dynamics of the underlying data generating process. We propose an algorithm that uses this prior knowledge, and prove upper bounds on the expected regret after $T$ interactions with the system. In the regime where $T$ is small, the upper bounds are dominated by a term that scales with either $\texttt{poly}(\log T)$ or $\sqrt{T}$, depending on the prior knowledge available to the learner. When $T$ is large, the regret is dominated by a term that grows with $\delta T$, where $\delta$ quantifies the level of misspecification. This linear term arises due to the inability to perfectly estimate the underlying dynamics using the misspecified basis, and is therefore unavoidable unless the basis matrices are also adapted online. However, it only dominates for large $T$, after the sublinear terms arising due to the error in estimating the weights for the basis matrices become negligible. We provide simulations that validate our analysis. Our simulations also show that offline data from a collection of related systems can be used as part of a pre-training stage to estimate a misspecified dynamics basis, which is in turn used by our adaptive controller.
Authors: Vladyslav Gapyak, Corinna Rentschler, Thomas M\"arz, Andreas Weinmann
Abstract: Objective: Magnetic particle imaging (MPI) is an emerging medical imaging modality which has gained increasing interest in recent years. Among the benefits of MPI are its high temporal resolution, and that the technique does not expose the specimen to any kind of ionizing radiation. It is based on the non-linear response of magnetic nanoparticles to an applied magnetic field. From the electric signal measured in receive coils, the particle concentration has to be reconstructed. Due to the ill-posedness of the reconstruction problem, various regularization methods have been proposed for reconstruction ranging from early stopping methods, via classical Tikhonov regularization and iterative methods to modern machine learning approaches. In this work, we contribute to the latter class: we propose a plug-and-play approach based on a generic zero-shot denoiser with an $\ell^1$-prior. Approach: We validate the reconstruction parameters of the method on a hybrid dataset and compare it with the baseline Tikhonov, DIP and the previous PP-MPI, which is a plug-and-play method with denoiser trained on MPI-friendly data. Main results: We offer a quantitative and qualitative evaluation of the zero-shot plug-and-play approach on the 3D Open MPI dataset. Moreover, we show the quality of the approach with different levels of preprocessing of the data. Significance: The proposed method employs a zero-shot denoiser which has not been trained for the MPI task and therefore saves the cost for training. Moreover, it offers a method that can be potentially applied in future MPI contexts.
Authors: Jacob M. Chen, Rohit Bhattacharya, Katherine A. Keith
Abstract: Recent text-based causal methods attempt to mitigate confounding bias by estimating proxies of confounding variables that are partially or imperfectly measured from unstructured text data. These approaches, however, assume analysts have supervised labels of the confounders given text for a subset of instances, a constraint that is sometimes infeasible due to data privacy or annotation costs. In this work, we address settings in which an important confounding variable is completely unobserved. We propose a new causal inference method that uses multiple instances of pre-treatment text data, infers two proxies from two zero-shot models on the separate instances, and applies these proxies in the proximal g-formula. We prove that our text-based proxy method satisfies identification conditions required by the proximal g-formula while other seemingly reasonable proposals do not. We evaluate our method in synthetic and semi-synthetic settings and find that it produces estimates with low bias. To address untestable assumptions associated with the proximal g-formula, we further propose an odds ratio falsification heuristic. This new combination of proximal causal inference and zero-shot classifiers expands the set of text-specific causal methods available to practitioners.
Authors: Nianzu Yang, Kaipeng Zeng, Haotian Lu, Yexin Wu, Zexin Yuan, Danni Chen, Shengdian Jiang, Jiaxiang Wu, Yimin Wang, Junchi Yan
Abstract: Neuronal morphology is essential for studying brain functioning and understanding neurodegenerative disorders. As acquiring real-world morphology data is expensive, computational approaches for morphology generation have been studied. Traditional methods heavily rely on expert-set rules and parameter tuning, making it difficult to generalize across different types of morphologies. Recently, MorphVAE was introduced as the sole learning-based method, but its generated morphologies lack plausibility, i.e., they do not appear realistic enough and most of the generated samples are topologically invalid. To fill this gap, this paper proposes MorphGrower, which mimicks the neuron natural growth mechanism for generation. Specifically, MorphGrower generates morphologies layer by layer, with each subsequent layer conditioned on the previously generated structure. During each layer generation, MorphGrower utilizes a pair of sibling branches as the basic generation block and generates branch pairs synchronously. This approach ensures topological validity and allows for fine-grained generation, thereby enhancing the realism of the final generated morphologies. Results on four real-world datasets demonstrate that MorphGrower outperforms MorphVAE by a notable margin. Importantly, the electrophysiological response simulation demonstrates the plausibility of our generated samples from a neuroscience perspective. Our code is available at https://github.com/Thinklab-SJTU/MorphGrower.
Authors: Zihan Liu, Wei Ping, Rajarshi Roy, Peng Xu, Chankyu Lee, Mohammad Shoeybi, Bryan Catanzaro
Abstract: In this work, we introduce ChatQA, a suite of models that outperform GPT-4 on retrieval-augmented generation (RAG) and conversational question answering (QA). To enhance generation, we propose a two-stage instruction tuning method that significantly boosts the performance of RAG. For effective retrieval, we introduce a dense retriever optimized for conversational QA, which yields results comparable to the alternative state-of-the-art query rewriting models, while substantially reducing deployment costs. We also present the ChatRAG Bench, which encompasses ten datasets covering comprehensive evaluations on RAG, table-related QA, arithmetic calculations, and scenarios involving unanswerable questions. Our ChatQA-1.0-70B (score: 54.14), built on Llama2, a weaker foundation model than GPT-4, can slightly outperform GPT-4-0613 (score: 53.90) and GPT-4-Turbo-2024-04-09 (score: 54.03) on the ChatRAG Bench, without relying on any synthetic data from OpenAI GPT models. Notably, the Llama3-ChatQA-1.5-70B model surpasses the accuracy of GPT-4-Turbo-2024-04-09, achieving a 4.4% improvement. To advance research in this field, we open-sourced the model weights, instruction tuning data, ChatRAG Bench, and retriever for the community: https://chatqa-project.github.io/.
Authors: Xuekai Zhu, Yao Fu, Bowen Zhou, Zhouhan Lin
Abstract: We explore the critical data size in language models, a threshold that marks a fundamental shift from quick memorization to slow generalization. We formalize the phase transition under the grokking configuration into the Data Efficiency Hypothesis and identify data insufficiency, sufficiency, and surplus regimes in language models training dynamics. We develop a grokking configuration to reproduce grokking on simplistic language models stably by rescaling initialization and weight decay. We show that generalization occurs only when language models reach a critical size. We analyze grokking across sample-wise and model-wise, verifying the proposed data efficiency hypothesis. Our experiments reveal smoother phase transitions occurring at the critical dataset size for language datasets. As the model size increases, this critical point also becomes larger, indicating that larger models require more data. Our results deepen the understanding of language model training, offering a novel perspective on the role of data in the learning mechanism of language models.
Authors: Bruna Junqueira, Bruno Aristimunha, Sylvain Chevallier, Raphael Y. de Camargo
Abstract: Electroencephalography (EEG) signals are frequently used for various Brain-Computer Interface (BCI) tasks. While Deep Learning (DL) techniques have shown promising results, they are hindered by the substantial data requirements. By leveraging data from multiple subjects, transfer learning enables more effective training of DL models. A technique that is gaining popularity is Euclidean Alignment (EA) due to its ease of use, low computational complexity, and compatibility with Deep Learning models. However, few studies evaluate its impact on the training performance of shared and individual DL models. In this work, we systematically evaluate the effect of EA combined with DL for decoding BCI signals. We used EA to train shared models with data from multiple subjects and evaluated its transferability to new subjects. Our experimental results show that it improves decoding in the target subject by 4.33% and decreases convergence time by more than 70%. We also trained individual models for each subject to use as a majority-voting ensemble classifier. In this scenario, using EA improved the 3-model ensemble accuracy by 3.7%. However, when compared to the shared model with EA, the ensemble accuracy was 3.62% lower.
Authors: Gianvincenzo Alfano, Sergio Greco, Domenico Mandaglio, Francesco Parisi, Reza Shahbazian, Irina Trubitsyna
Abstract: EXplainable AI has received significant attention in recent years. Machine learning models often operate as black boxes, lacking explainability and transparency while supporting decision-making processes. Local post-hoc explainability queries attempt to answer why individual inputs are classified in a certain way by a given model. While there has been important work on counterfactual explanations, less attention has been devoted to semifactual ones. In this paper, we focus on local post-hoc explainability queries within the semifactual `even-if' thinking and their computational complexity among different classes of models, and show that both linear and tree-based models are strictly more interpretable than neural networks. After this, we introduce a preference-based framework that enables users to personalize explanations based on their preferences, both in the case of semifactuals and counterfactuals, enhancing interpretability and user-centricity. Finally, we explore the complexity of several interpretability problems in the proposed preference-based framework and provide algorithms for polynomial cases.
Authors: Shubham Parashar, Zhiqiu Lin, Tian Liu, Xiangjue Dong, Yanan Li, Deva Ramanan, James Caverlee, Shu Kong
Abstract: Vision-language models (VLMs) excel in zero-shot recognition but their performance varies greatly across different visual concepts. For example, although CLIP achieves impressive accuracy on ImageNet (60-80%), its performance drops below 10% for more than ten concepts like night snake, presumably due to their limited presence in the pretraining data. However, measuring the frequency of concepts in VLMs' large-scale datasets is challenging. We address this by using large language models (LLMs) to count the number of pretraining texts that contain synonyms of these concepts. Our analysis confirms that popular datasets, such as LAION, exhibit a long-tailed concept distribution, yielding biased performance in VLMs. We also find that downstream applications of VLMs, including visual chatbots (e.g., GPT-4V) and text-to-image models (e.g., Stable Diffusion), often fail to recognize or generate images of rare concepts identified by our method. To mitigate the imbalanced performance of zero-shot VLMs, we propose REtrieval-Augmented Learning (REAL). First, instead of prompting VLMs using the original class names, REAL uses their most frequent synonyms found in pretraining texts. This simple change already outperforms costly human-engineered and LLM-enriched prompts over nine benchmark datasets. Second, REAL trains a linear classifier on a small yet balanced set of pretraining data retrieved using concept synonyms. REAL surpasses the previous zero-shot SOTA, using 400x less storage and 10,000x less training time!
Authors: Ping Guo, Fei Liu, Xi Lin, Qingchuan Zhao, Qingfu Zhang
Abstract: In the rapidly evolving field of machine learning, adversarial attacks present a significant challenge to model robustness and security. Decision-based attacks, which only require feedback on the decision of a model rather than detailed probabilities or scores, are particularly insidious and difficult to defend against. This work introduces L-AutoDA (Large Language Model-based Automated Decision-based Adversarial Attacks), a novel approach leveraging the generative capabilities of Large Language Models (LLMs) to automate the design of these attacks. By iteratively interacting with LLMs in an evolutionary framework, L-AutoDA automatically designs competitive attack algorithms efficiently without much human effort. We demonstrate the efficacy of L-AutoDA on CIFAR-10 dataset, showing significant improvements over baseline methods in both success rate and computational efficiency. Our findings underscore the potential of language models as tools for adversarial attack generation and highlight new avenues for the development of robust AI systems.
Authors: Yuliang Gu, Sheng Cheng, Naira Hovakimyan
Abstract: Quadrotors are increasingly used in the evolving field of aerial robotics for their agility and mechanical simplicity. However, inherent uncertainties, such as aerodynamic effects coupled with quadrotors' operation in dynamically changing environments, pose significant challenges for traditional, nominal model-based control designs. We propose a multi-task meta-learning method called Encoder-Prototype-Decoder (EPD), which has the advantage of effectively balancing shared and distinctive representations across diverse training tasks. Subsequently, we integrate the EPD model into a model predictive control problem (Proto-MPC) to enhance the quadrotor's ability to adapt and operate across a spectrum of dynamically changing tasks with an efficient online implementation. We validate the proposed method in simulations, which demonstrates Proto-MPC's robust performance in trajectory tracking of a quadrotor being subject to static and spatially varying side winds.
Authors: Zhenghao Zeng, David Arbour, Avi Feller, Raghavendra Addanki, Ryan Rossi, Ritwik Sinha, Edward H. Kennedy
Abstract: In many real-world causal inference applications, the primary outcomes (labels) are often partially missing, especially if they are expensive or difficult to collect. If the missingness depends on covariates (i.e., missingness is not completely at random), analyses based on fully observed samples alone may be biased. Incorporating surrogates, which are fully observed post-treatment variables related to the primary outcome, can improve estimation in this case. In this paper, we study the role of surrogates in estimating continuous treatment effects and propose a doubly robust method to efficiently incorporate surrogates in the analysis, which uses both labeled and unlabeled data and does not suffer from the above selection bias problem. Importantly, we establish the asymptotic normality of the proposed estimator and show possible improvements on the variance compared with methods that solely use labeled data. Extensive simulations show our methods enjoy appealing empirical performance.
Authors: Tianqi Liu, Zhen Qin, Junru Wu, Jiaming Shen, Misha Khalman, Rishabh Joshi, Yao Zhao, Mohammad Saleh, Simon Baumgartner, Jialu Liu, Peter J. Liu, Xuanhui Wang
Abstract: Aligning language models (LMs) with curated human feedback is critical to control their behaviors in real-world applications. Several recent policy optimization methods, such as DPO and SLiC, serve as promising alternatives to the traditional Reinforcement Learning from Human Feedback (RLHF) approach. In practice, human feedback often comes in a format of a ranked list over multiple responses to amortize the cost of reading prompt. Multiple responses can also be ranked by reward models or AI feedback. There lacks such a thorough study on directly fitting upon a list of responses. In this work, we formulate the LM alignment as a \textit{listwise} ranking problem and describe the LiPO framework, where the policy can potentially learn more effectively from a ranked list of plausible responses given the prompt. This view draws an explicit connection to Learning-to-Rank (LTR), where most existing preference optimization work can be mapped to existing ranking objectives. Following this connection, we provide an examination of ranking objectives that are not well studied for LM alignment with DPO and SLiC as special cases when list size is two. In particular, we highlight a specific method, LiPO-$\lambda$, which leverages a state-of-the-art \textit{listwise} ranking objective and weights each preference pair in a more advanced manner. We show that LiPO-$\lambda$ can outperform DPO variants and SLiC by a clear margin on several preference alignment tasks with both curated and real rankwise preference data.
Authors: Xi Li, Hang Wang, David J. Miller, George Kesidis
Abstract: A variety of defenses have been proposed against backdoors attacks on deep neural network (DNN) classifiers. Universal methods seek to reliably detect and/or mitigate backdoors irrespective of the incorporation mechanism used by the attacker, while reverse-engineering methods often explicitly assume one. In this paper, we describe a new detector that: relies on internal feature map of the defended DNN to detect and reverse-engineer the backdoor and identify its target class; can operate post-training (without access to the training dataset); is highly effective for various incorporation mechanisms (i.e., is universal); and which has low computational overhead and so is scalable. Our detection approach is evaluated for different attacks on benchmark CIFAR-10 and CIFAR-100 image classifiers.
Authors: Xindi Wang, Mahsa Salmani, Parsa Omidi, Xiangyu Ren, Mehdi Rezagholizadeh, Armaghan Eshaghi
Abstract: Recently, large language models (LLMs) have shown remarkable capabilities including understanding context, engaging in logical reasoning, and generating responses. However, this is achieved at the expense of stringent computational and memory requirements, hindering their ability to effectively support long input sequences. This survey provides an inclusive review of the recent techniques and methods devised to extend the sequence length in LLMs, thereby enhancing their capacity for long-context understanding. In particular, we review and categorize a wide range of techniques including architectural modifications, such as modified positional encoding and altered attention mechanisms, which are designed to enhance the processing of longer sequences while avoiding a proportional increase in computational requirements. The diverse methodologies investigated in this study can be leveraged across different phases of LLMs, i.e., training, fine-tuning and inference. This enables LLMs to efficiently process extended sequences. The limitations of the current methodologies is discussed in the last section along with the suggestions for future research directions, underscoring the importance of sequence length in the continued advancement of LLMs.
Authors: Yu Shang, Yu Li, Fengli Xu, Yong Li
Abstract: Large language models (LLMs) have shown impressive emergent abilities in a wide range of tasks, but still face challenges in handling complex reasoning problems. Previous works like chain-of-thought (CoT) and tree-of-thoughts (ToT) have predominately focused on enhancing accuracy, but overlook the rapidly increasing token cost, which could be particularly problematic for open-ended real-world tasks with huge solution spaces. Motivated by the dual process theory of human cognition, we propose "Synergy of Thoughts" (SoT) to unleash the synergistic potential of hybrid LLMs for efficient reasoning. By default, SoT uses smaller-scale language models to generate multiple low-cost reasoning thoughts, which resembles the parallel intuitions produced by System 1. If these intuitions exhibit conflicts, SoT will invoke the reflective reasoning of scaled-up language models to emulate the intervention of System 2, which will override the intuitive thoughts and rectify the reasoning process. This framework is model-agnostic and training-free, which can be flexibly implemented with various off-the-shelf LLMs. Experiments on six representative reasoning tasks show that SoT substantially reduces the token cost by 38.3%-75.1%, and simultaneously achieves state-of-the-art reasoning accuracy and solution diversity. Notably, the average token cost reduction on open-ended tasks reaches up to 69.1%. Code repo with all prompts will be released upon publication.
Authors: Haoxiang Wang, Haozhe Si, Huajie Shao, Han Zhao
Abstract: Real-world applications of machine learning models often confront data distribution shifts, wherein discrepancies exist between the training and test data distributions. In the common multi-domain multi-class setup, as the number of classes and domains scales up, it becomes infeasible to gather training data for every domain-class combination. This challenge naturally leads the quest for models with Compositional Generalization (CG) ability, where models can generalize to unseen domain-class combinations. To delve into the CG challenge, we develop CG-Bench, a suite of CG benchmarks derived from existing real-world image datasets, and observe that the prevalent pretraining-finetuning paradigm on foundational models, such as CLIP and DINOv2, struggles with the challenge. To address this challenge, we propose Compositional Feature Alignment (CFA), a simple two-stage finetuning technique that i) learns two orthogonal linear heads on a pretrained encoder with respect to class and domain labels, and ii) fine-tunes the encoder with the newly learned head frozen. We theoretically and empirically justify that CFA encourages compositional feature learning of pretrained models. We further conduct extensive experiments on CG-Bench for CLIP and DINOv2, two powerful pretrained vision foundation models. Experiment results show that CFA outperforms common finetuning techniques in compositional generalization, corroborating CFA's efficacy in compositional feature learning.
Authors: Shashank Kotyan, Po-Yuan Mao, Pin-Yu Chen, Danilo Vasconcellos Vargas
Abstract: Deep neural networks can be exploited using natural adversarial samples, which do not impact human perception. Current approaches often rely on deep neural networks' white-box nature to generate these adversarial samples or synthetically alter the distribution of adversarial samples compared to the training distribution. In contrast, we propose EvoSeed, a novel evolutionary strategy-based algorithmic framework for generating photo-realistic natural adversarial samples. Our EvoSeed framework uses auxiliary Conditional Diffusion and Classifier models to operate in a black-box setting. We employ CMA-ES to optimize the search for an initial seed vector, which, when processed by the Conditional Diffusion Model, results in the natural adversarial sample misclassified by the Classifier Model. Experiments show that generated adversarial images are of high image quality, raising concerns about generating harmful content bypassing safety classifiers. Our research opens new avenues to understanding the limitations of current safety mechanisms and the risk of plausible attacks against classifier systems using image generation. Project Website can be accessed at: https://shashankkotyan.github.io/EvoSeed.
Authors: Riccardo Cappuzzo (SODA Team - Inria Saclay), Aimee Coelho (Dataiku), Felix Lefebvre (SODA Team - Inria Saclay), Paolo Papotti (EURECOM), Gael Varoquaux (SODA Team - Inria Saclay)
Abstract: We present an in-depth analysis of data discovery in data lakes, focusing on table augmentation for given machine learning tasks. We analyze alternative methods used in the three main steps: retrieving joinable tables, merging information, and predicting with the resultant table. As data lakes, the paper uses YADL (Yet Another Data Lake) -- a novel dataset we developed as a tool for benchmarking this data discovery task -- and Open Data US, a well-referenced real data lake. Through systematic exploration on both lakes, our study outlines the importance of accurately retrieving join candidates and the efficiency of simple merging methods. We report new insights on the benefits of existing solutions and on their limitations, aiming at guiding future research in this space.
Authors: Nam Phuong Tran, The Anh Ta, Shuqing Shi, Debmalya Mandal, Yali Du, Long Tran-Thanh
Abstract: Reward allocation, also known as the credit assignment problem, has been an important topic in economics, engineering, and machine learning. An important concept in reward allocation is the core, which is the set of stable allocations where no agent has the motivation to deviate from the grand coalition. In previous works, computing the core requires either knowledge of the reward function in deterministic games or the reward distribution in stochastic games. However, this is unrealistic, as the reward function or distribution is often only partially known and may be subject to uncertainty. In this paper, we consider the core learning problem in stochastic cooperative games, where the reward distribution is unknown. Our goal is to learn the expected core, that is, the set of allocations that are stable in expectation, given an oracle that returns a stochastic reward for an enquired coalition each round. Within the class of strictly convex games, we present an algorithm named \texttt{Common-Points-Picking} that returns a point in the expected core given a polynomial number of samples, with high probability. To analyse the algorithm, we develop a new extension of the separation hyperplane theorem for multiple convex sets.
Authors: Yihong Tang, Zhaokai Wang, Ao Qu, Yihao Yan, Kebing Hou, Dingyi Zhuang, Xiaotong Guo, Jinhua Zhao, Zhan Zhao, Wei Ma
Abstract: In this paper, we introduce the novel task of Open-domain Urban Itinerary Planning (OUIP), a paradigm designed to generate personalized urban itineraries from user requests articulated in natural language. This approach is different from traditional itinerary planning, which often restricts the granularity of user inputs, thus hindering genuine personalization. To this end, we present ItiNera, an OUIP system that synergizes spatial optimization with large language models (LLMs) to provide services that customize urban itineraries based on users' needs. Upon receiving the user's itinerary request, the LLM first decomposes it into detailed components, identifying key requirements, including preferences and dislikes. Then, we use these specifics to select candidate POIs from a large-scale collection using embedding-based Preference-aware POI Retrieval. Finally, a preference score-based Cluster-aware Spatial Optimization module clusters, filters, and orders these POIs, followed by the LLM for detailed POI selection and organization to craft a personalized, spatially coherent itinerary. Moreover, we created an LLM-based pipeline to update and personalize a user-owned POI database. This ensures up-to-date POI information, supports itinerary planning, pre-trip research, POI collection, recommendations, and more. To the best of our knowledge, this study marks the first integration of LLMs to innovate itinerary planning, with potential extensions for various urban travel and exploration activities. Offline and online evaluations demonstrate the capacity of our system to deliver more responsive, personalized, and spatially coherent itineraries than current solutions. Our system, deployed on an online platform, has attracted thousands of users for their urban travel planning.
Authors: Keegan Harris, Zhiwei Steven Wu, Maria-Florina Balcan
Abstract: Algorithms for playing in Stackelberg games have been deployed in real-world domains including airport security, anti-poaching efforts, and cyber-crime prevention. However, these algorithms often fail to take into consideration the additional information available to each player (e.g. traffic patterns, weather conditions, network congestion), a salient feature of reality which may significantly affect both players' optimal strategies. We formalize such settings as Stackelberg games with side information, in which both players observe an external context before playing. The leader commits to a (context-dependent) strategy, and the follower best-responds to both the leader's strategy and the context. We focus on the online setting in which a sequence of followers arrive over time, and the context may change from round-to-round. In sharp contrast to the non-contextual version, we show that it is impossible for the leader to achieve good performance (measured by regret) in the full adversarial setting. Motivated by our impossibility result, we show that no-regret learning is possible in two natural relaxations: the setting in which the sequence of followers is chosen stochastically and the sequence of contexts is adversarial, and the setting in which the sequence of contexts is stochastic and the sequence of followers is chosen by an adversary.
Authors: Yinya Huang, Xiaohan Lin, Zhengying Liu, Qingxing Cao, Huajian Xin, Haiming Wang, Zhenguo Li, Linqi Song, Xiaodan Liang
Abstract: Recent large language models (LLMs) have witnessed significant advancement in various tasks, including mathematical reasoning and theorem proving. As these two tasks require strict and formal multi-step inference, they are appealing domains for exploring the reasoning ability of LLMs but still face important challenges. Previous studies such as Chain-of-Thought (CoT) have revealed the effectiveness of intermediate steps guidance. However, such step-wise annotation requires heavy labor, leading to insufficient training steps for current benchmarks. To fill this gap, this work introduces MUSTARD, a data generation framework that masters uniform synthesis of theorem and proof data of high quality and diversity. MUSTARD synthesizes data in three stages: (1) It samples a few mathematical concept seeds as the problem category. (2) Then, it prompts a generative language model with the sampled concepts to obtain both the problems and their step-wise formal solutions. (3) Lastly, the framework utilizes a proof assistant (e.g., Lean Prover) to filter the valid proofs. With the proposed MUSTARD, we present a theorem-and-proof benchmark MUSTARDSAUCE with 5,866 valid data points. Each data point contains an informal statement, an informal proof, and a translated formal proof that passes the prover validation. We perform extensive analysis and demonstrate that MUSTARD generates validated high-quality step-by-step data. We further apply the MUSTARDSAUCE for fine-tuning smaller language models. The fine-tuned Llama 2-7B achieves a 15.41% average relative performance gain in automated theorem proving, and 8.18% in math word problems. Codes and data are available at https://github.com/Eleanor-H/MUSTARD.
Authors: Yingying Wang, Yun Xiong, Xixi Wu, Xiangguo Sun, Jiawei Zhang
Abstract: Predicting drug-drug interaction adverse events, so-called DDI events, is increasingly valuable as it facilitates the study of mechanisms underlying drug use or adverse reactions. Existing models often neglect the distinctive characteristics of individual event classes when integrating multi-source features, which contributes to systematic unfairness when dealing with highly imbalanced event samples. Moreover, the limited capacity of these models to abstract the unique attributes of each event subclass considerably hampers their application in predicting rare drug-drug interaction events with a limited sample size. Reducing dataset bias and abstracting event subclass characteristics are two unresolved challenges. Recently, prompt tuning with frozen pre-trained graph models, namely "pre-train, prompt, fine-tune" strategy, has demonstrated impressive performance in few-shot tasks. Motivated by this, we propose an advanced method as a solution to address these aforementioned challenges. Specifically, our proposed approach entails a hierarchical pre-training task that aims to capture crucial aspects of drug molecular structure and intermolecular interactions while effectively mitigating implicit dataset bias within the node embeddings. Furthermore, we construct a prototypical graph by strategically sampling data from distinct event types and design subgraph prompts utilizing pre-trained node features. Through comprehensive benchmark experiments, we validate the efficacy of our subgraph prompts in accurately representing event classes and achieve exemplary results in both overall and subclass prediction tasks.
Authors: Joshua F. Cooper, Seung Jin Choi, I. Esra Buyuktahtakin
Abstract: In this study, we introduce an innovative deep learning framework that employs a transformer model to address the challenges of mixed-integer programs, specifically focusing on the Capacitated Lot Sizing Problem (CLSP). Our approach, to our knowledge, is the first to utilize transformers to predict the binary variables of a mixed-integer programming (MIP) problem. Specifically, our approach harnesses the encoder decoder transformer's ability to process sequential data, making it well-suited for predicting binary variables indicating production setup decisions in each period of the CLSP. This problem is inherently dynamic, and we need to handle sequential decision making under constraints. We present an efficient algorithm in which CLSP solutions are learned through a transformer neural network. The proposed post-processed transformer algorithm surpasses the state-of-the-art solver, CPLEX and Long Short-Term Memory (LSTM) in solution time, optimal gap, and percent infeasibility over 240K benchmark CLSP instances tested. After the ML model is trained, conducting inference on the model, reduces the MIP into a linear program (LP). This transforms the ML-based algorithm, combined with an LP solver, into a polynomial-time approximation algorithm to solve a well-known NP-Hard problem, with almost perfect solution quality.
Authors: Jiawei Wang, Renhe Jiang, Chuang Yang, Zengqing Wu, Makoto Onizuka, Ryosuke Shibasaki, Noboru Koshizuka, Chuan Xiao
Abstract: This paper introduces a novel approach using Large Language Models (LLMs) integrated into an agent framework for flexible and effective personal mobility generation. LLMs overcome the limitations of previous models by effectively processing semantic data and offering versatility in modeling various tasks. Our approach addresses three research questions: aligning LLMs with real-world urban mobility data, developing reliable activity generation strategies, and exploring LLM applications in urban mobility. The key technical contribution is a novel LLM agent framework that accounts for individual activity patterns and motivations, including a self-consistency approach to align LLMs with real-world activity data and a retrieval-augmented strategy for interpretable activity generation. We evaluate our LLM agent framework and compare it with state-of-the-art personal mobility generation approaches, demonstrating the effectiveness of our approach and its potential applications in urban mobility. Overall, this study marks the pioneering work of designing an LLM agent framework for activity generation based on real-world human activity data, offering a promising tool for urban mobility analysis.
Authors: Jianhao Shen, Ye Yuan, Srbuhi Mirzoyan, Ming Zhang, Chenguang Wang
Abstract: We introduce a new challenge to test the STEM skills of neural models. The problems in the real world often require solutions, combining knowledge from STEM (science, technology, engineering, and math). Unlike existing datasets, our dataset requires the understanding of multimodal vision-language information of STEM. Our dataset features one of the largest and most comprehensive datasets for the challenge. It includes 448 skills and 1,073,146 questions spanning all STEM subjects. Compared to existing datasets that often focus on examining expert-level ability, our dataset includes fundamental skills and questions designed based on the K-12 curriculum. We also add state-of-the-art foundation models such as CLIP and GPT-3.5-Turbo to our benchmark. Results show that the recent model advances only help master a very limited number of lower grade-level skills (2.5% in the third grade) in our dataset. In fact, these models are still well below (averaging 54.7%) the performance of elementary students, not to mention near expert-level performance. To understand and increase the performance on our dataset, we teach the models on a training split of our dataset. Even though we observe improved performance, the model performance remains relatively low compared to average elementary students. To solve STEM problems, we will need novel algorithmic innovations from the community.
Authors: Hagyeong Lee, Minkyu Kim, Jun-Hyuk Kim, Seungeon Kim, Dokwan Oh, Jaeho Lee
Abstract: Recent advances in text-guided image compression have shown great potential to enhance the perceptual quality of reconstructed images. These methods, however, tend to have significantly degraded pixel-wise fidelity, limiting their practicality. To fill this gap, we develop a new text-guided image compression algorithm that achieves both high perceptual and pixel-wise fidelity. In particular, we propose a compression framework that leverages text information mainly by text-adaptive encoding and training with joint image-text loss. By doing so, we avoid decoding based on text-guided generative models -- known for high generative diversity -- and effectively utilize the semantic information of text at a global level. Experimental results on various datasets show that our method can achieve high pixel-level and perceptual quality, with either human- or machine-generated captions. In particular, our method outperforms all baselines in terms of LPIPS, with some room for even more improvements when we use more carefully generated captions.
Authors: Chen Xu, Hanyang Jiang, Yao Xie
Abstract: Conformal prediction (CP) has been a popular method for uncertainty quantification because it is distribution-free, model-agnostic, and theoretically sound. For forecasting problems in supervised learning, most CP methods focus on building prediction intervals for univariate responses. In this work, we develop a sequential CP method called $\texttt{MultiDimSPCI}$ that builds prediction $\textit{regions}$ for a multivariate response, especially in the context of multivariate time series, which are not exchangeable. Theoretically, we estimate $\textit{finite-sample}$ high-probability bounds on the conditional coverage gap. Empirically, we demonstrate that $\texttt{MultiDimSPCI}$ maintains valid coverage on a wide range of multivariate time series while producing smaller prediction regions than CP and non-CP baselines.
Authors: Yizuo Chen, Adnan Darwiche
Abstract: We study the identification of causal effects, motivated by two improvements to identifiability which can be attained if one knows that some variables in a causal graph are functionally determined by their parents (without needing to know the specific functions). First, an unidentifiable causal effect may become identifiable when certain variables are functional. Second, certain functional variables can be excluded from being observed without affecting the identifiability of a causal effect, which may significantly reduce the number of needed variables in observational data. Our results are largely based on an elimination procedure which removes functional variables from a causal graph while preserving key properties in the resulting causal graph, including the identifiability of causal effects.
Authors: Anjian Li, Zihan Ding, Adji Bousso Dieng, Ryne Beeson
Abstract: Motivated by the need to solve open-loop optimal control problems with computational efficiency and reliable constraint satisfaction, we introduce a general framework that combines diffusion models and numerical optimization solvers. Optimal control problems are rarely solvable in closed form, hence they are often transcribed into numerical trajectory optimization problems, which then require initial guesses. These initial guesses are supplied in our framework by diffusion models. To mitigate the effect of samples that violate the problem constraints, we develop a novel constrained diffusion model to approximate the true distribution of locally optimal solutions with an additional constraint violation loss in training. To further enhance the robustness, the diffusion samples as initial guesses are fed to the numerical solver to refine and derive final optimal (and hence feasible) solutions. Experimental evaluations on three tasks verify the improved constraint satisfaction and computational efficiency with 4$\times$ to 30$\times$ acceleration using our proposed framework, which generalizes across trajectory optimization problems and scales well with problem complexity.
Authors: Shiliang Zuo
Abstract: This work studies the repeated principal-agent problem from an online learning perspective. The principal's goal is to learn the optimal contract that maximizes her utility through repeated interactions, without prior knowledge of the agent's type (i.e., the agent's cost and production functions). This work contains three technical results. First, learning linear contracts with binary outcomes is equivalent to dynamic pricing with an unknown demand curve. Second, learning an approximately optimal contract with identical agents can be accomplished with a polynomial sample complexity scheme. Third, learning the optimal contract with heterogeneous agents can be reduced to Lipschitz bandits under mild regularity conditions. The technical results demonstrate that the one-dimensional effort model, the default model for principal-agent problems in economics which seems largely ignored in recent works from the computer science community, may possibly be the more suitable choice when studying contract design from a learning perspective.
Authors: Neel Kanwal, Farbod Khoraminia, Umay Kiraz, Andres Mosquera-Zamudio, Carlos Monteagudo, Emiel A. M. Janssen, Tahlita C. M. Zuiverloon, Chunmig Rong, Kjersti Engan
Abstract: Histopathology is a gold standard for cancer diagnosis under a microscopic examination. However, histological tissue processing procedures result in artifacts, which are ultimately transferred to the digitized version of glass slides, known as whole slide images (WSIs). Artifacts are diagnostically irrelevant areas and may result in wrong deep learning (DL) algorithms predictions. Therefore, detecting and excluding artifacts in the computational pathology (CPATH) system is essential for reliable automated diagnosis. In this paper, we propose a mixture of experts (MoE) scheme for detecting five notable artifacts, including damaged tissue, blur, folded tissue, air bubbles, and histologically irrelevant blood from WSIs. First, we train independent binary DL models as experts to capture particular artifact morphology. Then, we ensemble their predictions using a fusion mechanism. We apply probabilistic thresholding over the final probability distribution to improve the sensitivity of the MoE. We developed DL pipelines using two MoEs and two multiclass models of state-of-the-art deep convolutional neural networks (DCNNs) and vision transformers (ViTs). DCNNs-based MoE and ViTs-based MoE schemes outperformed simpler multiclass models and were tested on datasets from different hospitals and cancer types, where MoE using DCNNs yielded the best results. The proposed MoE yields 86.15% F1 and 97.93% sensitivity scores on unseen data, retaining less computational cost for inference than MoE using ViTs. This best performance of MoEs comes with relatively higher computational trade-offs than multiclass models. The proposed artifact detection pipeline will not only ensure reliable CPATH predictions but may also provide quality control.
Authors: Frank Nielsen
Abstract: The Fisher-Rao distance between two probability distributions of a statistical model is defined as the Riemannian geodesic distance induced by the Fisher information metric. In order to calculate the Fisher-Rao distance in closed-form, we need (1) to elicit a formula for the Fisher-Rao geodesics, and (2) to integrate the Fisher length element along those geodesics. We consider several numerically robust approximation and bounding techniques for the Fisher-Rao distances: First, we report generic upper bounds on Fisher-Rao distances based on closed-form 1D Fisher-Rao distances of submodels. Second, we describe several generic approximation schemes depending on whether the Fisher-Rao geodesics or pregeodesics are available in closed-form or not. In particular, we obtain a generic method to guarantee an arbitrarily small additive error on the approximation provided that Fisher-Rao pregeodesics and tight lower and upper bounds are available. Third, we consider the case of Fisher metrics being Hessian metrics, and report generic tight upper bounds on the Fisher-Rao distances using techniques of information geometry. Uniparametric and biparametric statistical models always have Fisher Hessian metrics, and in general a simple test allows to check whether the Fisher information matrix yields a Hessian metric or not. Fourth, we consider elliptical distribution families and show how to apply the above techniques to these models. We also propose two new distances based either on the Fisher-Rao lengths of curves serving as proxies of Fisher-Rao geodesics, or based on the Birkhoff/Hilbert projective cone distance. Last, we consider an alternative group-theoretic approach for statistical transformation models based on the notion of maximal invariant which yields insights on the structures of the Fisher-Rao distance formula which may be used fruitfully in applications.
Authors: Haoyu Wang, Basel Halak, Jianjie Ren, Ahmad Atamli
Abstract: This study introduces a refined Flooding Injection Rate-adjustable Denial-of-Service (DoS) model for Network-on-Chips (NoCs) and more importantly presents DL2Fence, a novel framework utilizing Deep Learning (DL) and Frame Fusion (2F) for DoS detection and localization. Two Convolutional Neural Networks models for classification and segmentation were developed to detect and localize DoS respectively. It achieves detection and localization accuracies of 95.8% and 91.7%, and precision rates of 98.5% and 99.3% in a 16x16 mesh NoC. The framework's hardware overhead notably decreases by 76.3% when scaling from 8x8 to 16x16 NoCs, and it requires 42.4% less hardware compared to state-of-the-arts. This advancement demonstrates DL2Fence's effectiveness in balancing outstanding detection performance in large-scale NoCs with extremely low hardware overhead.
Authors: Ke Guo, Zhenwei Miao, Wei Jing, Weiwei Liu, Weizi Li, Dayang Hao, Jia Pan
Abstract: Microscopic traffic simulation plays a crucial role in transportation engineering by providing insights into individual vehicle behavior and overall traffic flow. However, creating a realistic simulator that accurately replicates human driving behaviors in various traffic conditions presents significant challenges. Traditional simulators relying on heuristic models often fail to deliver accurate simulations due to the complexity of real-world traffic environments. Due to the covariate shift issue, existing imitation learning-based simulators often fail to generate stable long-term simulations. In this paper, we propose a novel approach called learner-aware supervised imitation learning to address the covariate shift problem in multi-agent imitation learning. By leveraging a variational autoencoder simultaneously modeling the expert and learner state distribution, our approach augments expert states such that the augmented state is aware of learner state distribution. Our method, applied to urban traffic simulation, demonstrates significant improvements over existing state-of-the-art baselines in both short-term microscopic and long-term macroscopic realism when evaluated on the real-world dataset pNEUMA.
Authors: Simon Linke, Tim Ziemer
Abstract: Kohonen Maps, aka. Self-organizing maps (SOMs) are neural networks that visualize a high-dimensional feature space on a low-dimensional map. While SOMs are an excellent tool for data examination and exploration, they inherently cause a loss of detail. Visualizations of the underlying data do not integrate well and, therefore, fail to provide an overall picture. Consequently, we suggest SOMson, an interactive sonification of the underlying data, as a data augmentation technique. The sonification increases the amount of information provided simultaneously by the SOM. Instead of a user study, we present an interactive online example, so readers can explore SOMson themselves. Its strengths, weaknesses, and prospects are discussed.
Authors: Ye Yuan, Kexin Tang, Jianhao Shen, Ming Zhang, Chenguang Wang
Abstract: We present a new challenge to examine whether large language models understand social norms. In contrast to existing datasets, our dataset requires a fundamental understanding of social norms to solve. Our dataset features the largest set of social norm skills, consisting of 402 skills and 12,383 questions covering a wide set of social norms ranging from opinions and arguments to culture and laws. We design our dataset according to the K-12 curriculum. This enables the direct comparison of the social understanding of large language models to humans, more specifically, elementary students. While prior work generates nearly random accuracy on our benchmark, recent large language models such as GPT3.5-Turbo and LLaMA2-Chat are able to improve the performance significantly, only slightly below human performance. We then propose a multi-agent framework based on large language models to improve the models' ability to understand social norms. This method further improves large language models to be on par with humans. Given the increasing adoption of large language models in real-world applications, our finding is particularly important and presents a unique direction for future improvements.
Authors: Zhengxuan Wu, Aryaman Arora, Zheng Wang, Atticus Geiger, Dan Jurafsky, Christopher D. Manning, Christopher Potts
Abstract: Parameter-efficient finetuning (PEFT) methods seek to adapt large neural models via updates to a small number of weights. However, much prior interpretability work has shown that representations encode rich semantic information, suggesting that editing representations might be a more powerful alternative. We pursue this hypothesis by developing a family of Representation Finetuning (ReFT) methods. ReFT methods operate on a frozen base model and learn task-specific interventions on hidden representations. We define a strong instance of the ReFT family, Low-rank Linear Subspace ReFT (LoReFT), and we identify an ablation of this method that trades some performance for increased efficiency. Both are drop-in replacements for existing PEFTs and learn interventions that are 15x--65x more parameter-efficient than LoRA. We showcase LoReFT on eight commonsense reasoning tasks, four arithmetic reasoning tasks, instruction-tuning, and GLUE. In all these evaluations, our ReFTs deliver the best balance of efficiency and performance, and almost always outperform state-of-the-art PEFTs. We release a generic ReFT training library publicly at https://github.com/stanfordnlp/pyreft.
Authors: Nicolas Yax, Pierre-Yves Oudeyer, Stefano Palminteri
Abstract: This paper introduces PhyloLM, a method adapting phylogenetic algorithms to Large Language Models (LLMs) to explore whether and how they relate to each other and to predict their performance characteristics. Our method calculates a phylogenetic distance metrics based on the similarity of LLMs' output. The resulting metric is then used to construct dendrograms, which satisfactorily capture known relationships across a set of 111 open-source and 45 closed models. Furthermore, our phylogenetic distance predicts performance in standard benchmarks, thus demonstrating its functional validity and paving the way for a time and cost-effective estimation of LLM capabilities. To sum up, by translating population genetic concepts to machine learning, we propose and validate a tool to evaluate LLM development, relationships and capabilities, even in the absence of transparent training information.
Authors: Ahmad Halimi Razlighi, Carsten Bockelmann, Armin Dekorsy
Abstract: In this paper, we have expanded the current status of semantic communication limited to processing one task to a more general system that can handle multiple tasks concurrently. In pursuit of this, we first introduced our definition of the "semantic source", enabling the interpretation of multiple semantics based on a single observation. A semantic encoder design is then introduced, featuring the division of the encoder into a common unit and multiple specific units enabling cooperative multi-task processing. Simulation results demonstrate the effectiveness of the proposed semantic source and the system design. Our approach employs information maximization (infomax) and end-to-end design principles.
Authors: Pengyu Cheng, Tianhao Hu, Han Xu, Zhisong Zhang, Yong Dai, Lei Han, Nan Du
Abstract: We explore the self-play training procedure of large language models (LLMs) in a two-player adversarial language game called Adversarial Taboo. In this game, an attacker and a defender communicate around a target word only visible to the attacker. The attacker aims to induce the defender to speak the target word unconsciously, while the defender tries to infer the target word from the attacker's utterances. To win the game, both players should have sufficient knowledge about the target word and high-level reasoning ability to infer and express in this information-reserved conversation. Hence, we are curious about whether LLMs' reasoning ability can be further enhanced by self-play in this adversarial language game (SPAG). With this goal, we select several open-source LLMs and let each act as the attacker and play with a copy of itself as the defender on an extensive range of target words. Through reinforcement learning on the game outcomes, we observe that the LLMs' performances uniformly improve on a broad range of reasoning benchmarks. Furthermore, iteratively adopting this self-play process can continuously promote LLMs' reasoning abilities. The code is at https://github.com/Linear95/SPAG.
Authors: Francesco Pro, Nikolaos Dionelis, Luca Maiano, Bertrand Le Saux, Irene Amerini
Abstract: Nowadays the accurate geo-localization of ground-view images has an important role across domains as diverse as journalism, forensics analysis, transports, and Earth Observation. This work addresses the problem of matching a query ground-view image with the corresponding satellite image without GPS data. This is done by comparing the features from a ground-view image and a satellite one, innovatively leveraging the corresponding latter's segmentation mask through a three-stream Siamese-like network. The proposed method, Semantic Align Net (SAN), focuses on limited Field-of-View (FoV) and ground panorama images (images with a FoV of 360{\deg}). The novelty lies in the fusion of satellite images in combination with their semantic segmentation masks, aimed at ensuring that the model can extract useful features and focus on the significant parts of the images. This work shows how SAN through semantic analysis of images improves the performance on the unlabelled CVUSA dataset for all the tested FoVs.
Authors: Rajiv Sambharya, Bartolomeo Stellato
Abstract: We introduce a data-driven approach to analyze the performance of continuous optimization algorithms using generalization guarantees from statistical learning theory. We study classical and learned optimizers to solve families of parametric optimization problems. We build generalization guarantees for classical optimizers, using a sample convergence bound, and for learned optimizers, using the Probably Approximately Correct (PAC)-Bayes framework. To train learned optimizers, we use a gradient-based algorithm to directly minimize the PAC-Bayes upper bound. Numerical experiments in signal processing, control, and meta-learning showcase the ability of our framework to provide strong generalization guarantees for both classical and learned optimizers given a fixed budget of iterations. For classical optimizers, our bounds are much tighter than those that worst-case guarantees provide. For learned optimizers, our bounds outperform the empirical outcomes observed in their non-learned counterparts.
Authors: Kevin Slagle
Abstract: Tokenization is widely used in large language models because it significantly improves performance. However, tokenization imposes several disadvantages, such as performance biases, increased adversarial vulnerability, decreased character-level modeling performance, and increased modeling complexity. To address these disadvantages without sacrificing performance, we propose SpaceByte, a novel byte-level decoder architecture that closes the performance gap between byte-level and subword autoregressive language modeling. SpaceByte consists of a byte-level Transformer model, but with extra larger transformer blocks inserted in the middle of the layers. We find that performance is significantly improved by applying these larger blocks only after certain bytes, such as space characters, which typically denote word boundaries. Our experiments show that for a fixed training and inference compute budget, SpaceByte outperforms other byte-level architectures and roughly matches the performance of tokenized Transformer architectures.
Authors: Toru Lin, Yu Zhang, Qiyang Li, Haozhi Qi, Brent Yi, Sergey Levine, Jitendra Malik
Abstract: Aiming to replicate human-like dexterity, perceptual experiences, and motion patterns, we explore learning from human demonstrations using a bimanual system with multifingered hands and visuotactile data. Two significant challenges exist: the lack of an affordable and accessible teleoperation system suitable for a dual-arm setup with multifingered hands, and the scarcity of multifingered hand hardware equipped with touch sensing. To tackle the first challenge, we develop HATO, a low-cost hands-arms teleoperation system that leverages off-the-shelf electronics, complemented with a software suite that enables efficient data collection; the comprehensive software suite also supports multimodal data processing, scalable policy learning, and smooth policy deployment. To tackle the latter challenge, we introduce a novel hardware adaptation by repurposing two prosthetic hands equipped with touch sensors for research. Using visuotactile data collected from our system, we learn skills to complete long-horizon, high-precision tasks which are difficult to achieve without multifingered dexterity and touch feedback. Furthermore, we empirically investigate the effects of dataset size, sensing modality, and visual input preprocessing on policy learning. Our results mark a promising step forward in bimanual multifingered manipulation from visuotactile data. Videos, code, and datasets can be found at https://toruowo.github.io/hato/ .
Authors: Guanyiman Fu, Fengchao Xiong, Jianfeng Lu, Jun Zhou, Yuntao Qian
Abstract: Denoising is a crucial preprocessing procedure for hyperspectral images (HSIs) due to the noise originating from intra-imaging mechanisms and environmental factors. Utilizing domain knowledge of HSIs, such as spectral correlation, spatial self-similarity, and spatial-spectral correlation, is essential for deep learning-based denoising. Existing methods are often constrained by running time, space complexity, and computational complexity, employing strategies that explore these kinds of domain knowledge separately. While these strategies can avoid some redundant information, they inevitably overlook broader and more in-depth long-range spatial-spectral information that positively impacts image restoration. This paper proposes a Spatial-Spectral Selective State Space Model-based U-shaped network, Spatial-Spectral U-Mamba (SSUMamba), for hyperspectral image denoising. The SSUMamba can exploit complete global spatial-spectral correlation within a module thanks to the linear space complexity in State Space Model (SSM) computations. We introduce a Spatial-Spectral Alternating Zigzag Scan (SSAZS) strategy for HSIs, which helps exploit the continuous information flow in multiple directions of 3-D characteristics within HSIs. Experimental results demonstrate that our method outperforms comparison methods. The source code is available at https://github.com/lronkitty/SSUMamba.
Authors: Jinyu Cai, Jinglue Xu, Jialong Li, Takuto Ymauchi, Hitoshi Iba, Kenji Tei
Abstract: Evolutionary computation (EC), as a powerful optimization algorithm, has been applied across various domains. However, as the complexity of problems increases, the limitations of EC have become more apparent. The advent of large language models (LLMs) has not only transformed natural language processing but also extended their capabilities to diverse fields. By harnessing LLMs' vast knowledge and adaptive capabilities, we provide a forward-looking overview of potential improvements LLMs can bring to EC, focusing on the algorithms themselves, population design, and additional enhancements. This presents a promising direction for future research at the intersection of LLMs and EC.
Authors: Ruizhe Li, Yanjun Gao
Abstract: Large Language Models (LLMs), such as the GPT-4 and LLaMA families, have demonstrated considerable success across diverse tasks, including multiple-choice questions (MCQs). However, these models exhibit a positional bias, particularly an even worse anchored bias in the GPT-2 family, where they consistently favour the first choice 'A' in MCQs during inference. This anchored bias challenges the integrity of GPT-2's decision-making process, as it skews performance based on the position rather than the content of the choices in MCQs. In this study, we utilise the mechanistic interpretability approach to identify the internal modules within GPT-2 models responsible for this bias. We focus on the Multi-Layer Perceptron (MLP) layers and attention heads, using the "logit lens" method to trace and modify the specific value vectors that contribute to the bias. By updating these vectors within MLP and recalibrating attention patterns to neutralise the preference for the first choice 'A', we effectively mitigate the anchored bias. Our interventions not only mitigate the bias but also improve the overall MCQ prediction accuracy for the GPT-2 family across various datasets. This work represents the first comprehensive mechanistic analysis of anchored bias in MCQs within the GPT-2 models, introducing targeted, minimal-intervention strategies that significantly enhance GPT2 model robustness and accuracy in MCQs. Our code is available at https://github.com/ruizheliUOA/Anchored_Bias_GPT2.
Authors: Darius Afchar, Gabriel Meseguer-Brocal, Romain Hennequin
Abstract: In the face of a new era of generative models, the detection of artificially generated content has become a matter of utmost importance. The ability to create credible minute-long music deepfakes in a few seconds on user-friendly platforms poses a real threat of fraud on streaming services and unfair competition to human artists. This paper demonstrates the possibility (and surprising ease) of training classifiers on datasets comprising real audio and fake reconstructions, achieving a convincing accuracy of 99.8%. To our knowledge, this marks the first publication of a music deepfake detector, a tool that will help in the regulation of music forgery. Nevertheless, informed by decades of literature on forgery detection in other fields, we stress that a good test score is not the end of the story. We step back from the straightforward ML framework and expose many facets that could be problematic with such a deployed detector: calibration, robustness to audio manipulation, generalisation to unseen models, interpretability and possibility for recourse. This second part acts as a position for future research steps in the field and a caveat to a flourishing market of fake content checkers.
Authors: Yixin Chen, Ankur Nath, Chunli Peng, Alan Kuhnle
Abstract: For constrained, not necessarily monotone submodular maximization, all known approximation algorithms with ratio greater than $1/e$ require continuous ideas, such as queries to the multilinear extension of a submodular function and its gradient, which are typically expensive to simulate with the original set function. For combinatorial algorithms, the best known approximation ratios for both size and matroid constraint are obtained by a simple randomized greedy algorithm of Buchbinder et al. [9]: $1/e \approx 0.367$ for size constraint and $0.281$ for the matroid constraint in $\mathcal O (kn)$ queries, where $k$ is the rank of the matroid. In this work, we develop the first combinatorial algorithms to break the $1/e$ barrier: we obtain approximation ratio of $0.385$ in $\mathcal O (kn)$ queries to the submodular set function for size constraint, and $0.305$ for a general matroid constraint. These are achieved by guiding the randomized greedy algorithm with a fast local search algorithm. Further, we develop deterministic versions of these algorithms, maintaining the same ratio and asymptotic time complexity. Finally, we develop a deterministic, nearly linear time algorithm with ratio $0.377$.
Authors: Nian Liu, Shen Fan, Ting Bai, Peng Wang, Mingwei Sun, Yanhu Mo, Xiaoxiao Xu, Hong Liu, Chuan Shi
Abstract: Social relations have been widely incorporated into recommender systems to alleviate data sparsity problem. However, raw social relations don't always benefit recommendation due to their inferior quality and insufficient quantity, especially for inactive users, whose interacted items are limited. In this paper, we propose a novel social recommendation method called LSIR (\textbf{L}earning \textbf{S}ocial Graph for \textbf{I}nactive User \textbf{R}ecommendation) that learns an optimal social graph structure for social recommendation, especially for inactive users. LSIR recursively aggregates user and item embeddings to collaboratively encode item and user features. Then, graph structure learning (GSL) is employed to refine the raw user-user social graph, by removing noisy edges and adding new edges based on the enhanced embeddings. Meanwhile, mimic learning is implemented to guide active users in mimicking inactive users during model training, which improves the construction of new edges for inactive users. Extensive experiments on real-world datasets demonstrate that LSIR achieves significant improvements of up to 129.58\% on NDCG in inactive user recommendation. Our code is available at~\url{https://github.com/liun-online/LSIR}.
Authors: Khanh Nguyen, Dimosthenis Karatzas
Abstract: An important handicap of document analysis research is that documents tend to be copyrighted or contain private information, which prohibits their open publication and the creation of centralised, large-scale document datasets. Instead, documents are scattered in private data silos, making extensive training over heterogeneous data a tedious task. In this work, we explore the use of a federated learning (FL) scheme as a way to train a shared model on decentralised private document data. We focus on the problem of Document VQA, a task particularly suited to this approach, as the type of reasoning capabilities required from the model can be quite different in diverse domains. Enabling training over heterogeneous document datasets can thus substantially enrich DocVQA models. We assemble existing DocVQA datasets from diverse domains to reflect the data heterogeneity in real-world applications. We explore the self-pretraining technique in this multi-modal setting, where the same data is used for both pretraining and finetuning, making it relevant for privacy preservation. We further propose combining self-pretraining with a Federated DocVQA training method using centralized adaptive optimization that outperforms the FedAvg baseline. With extensive experiments, we also present a multi-faceted analysis on training DocVQA models with FL, which provides insights for future research on this task. We show that our pretraining strategies can effectively learn and scale up under federated training with diverse DocVQA datasets and tuning hyperparameters is essential for practical document tasks under federation.
Authors: Shuyuan Xu, Zelong Li, Kai Mei, Yongfeng Zhang
Abstract: Since their inception, programming languages have trended towards greater readability and lower barriers for programmers. Following this trend, natural language can be a promising type of programming language that provides great flexibility and usability and helps towards the democracy of programming. However, the inherent vagueness, ambiguity, and verbosity of natural language pose significant challenges in developing an interpreter that can accurately understand the programming logic and execute instructions written in natural language. Fortunately, recent advancements in Large Language Models (LLMs) have demonstrated remarkable proficiency in interpreting complex natural language. Inspired by this, we develop a novel system for Code Representation and Execution (CoRE), which employs LLM as interpreter to interpret and execute natural language instructions. The proposed system unifies natural language programming, pseudo-code programming, and flow programming under the same representation for constructing language agents, while LLM serves as the interpreter to interpret and execute the agent programs. In this paper, we begin with defining the programming syntax that structures natural language instructions logically. During the execution, we incorporate external memory to minimize redundancy. Furthermore, we equip the designed interpreter with the capability to invoke external tools, compensating for the limitations of LLM in specialized domains or when accessing real-time information. This work is open-source at https://github.com/agiresearch/CoRE, https://github.com/agiresearch/OpenAGI, and https://github.com/agiresearch/AIOS.
URLs: https://github.com/agiresearch/CoRE,, https://github.com/agiresearch/OpenAGI,, https://github.com/agiresearch/AIOS.
Authors: Caixing Wang, Ziliang Shen
Abstract: In this paper, we focus on distributed estimation and support recovery for high-dimensional linear quantile regression. Quantile regression is a popular alternative tool to the least squares regression for robustness against outliers and data heterogeneity. However, the non-smoothness of the check loss function poses big challenges to both computation and theory in the distributed setting. To tackle these problems, we transform the original quantile regression into the least-squares optimization. By applying a double-smoothing approach, we extend a previous Newton-type distributed approach without the restrictive independent assumption between the error term and covariates. An efficient algorithm is developed, which enjoys high computation and communication efficiency. Theoretically, the proposed distributed estimator achieves a near-oracle convergence rate and high support recovery accuracy after a constant number of iterations. Extensive experiments on synthetic examples and a real data application further demonstrate the effectiveness of the proposed method.
Authors: Tiffany Tianhui Cai, Yuri Fonseca, Kaiwen Hou, Hongseok Namkoong
Abstract: Causal estimation (e.g. of the average treatment effect) requires estimating complex nuisance parameters (e.g. outcome models). To adjust for errors in nuisance parameter estimation, we present a novel correction method that solves for the best plug-in estimator under the constraint that the first-order error of the estimator with respect to the nuisance parameter estimate is zero. Our constrained learning framework provides a unifying perspective to prominent first-order correction approaches including one-step estimation (a.k.a. augmented inverse probability weighting) and targeting (a.k.a. targeted maximum likelihood estimation). Our semiparametric inference approach, which we call the "C-Learner", can be implemented with modern machine learning methods such as neural networks and tree ensembles, and enjoys standard guarantees like semiparametric efficiency and double robustness. Empirically, we demonstrate our approach on several datasets, including those with text features that require fine-tuning language models. We observe the C-Learner matches or outperforms other asymptotically optimal estimators, with better performance in settings with less estimated overlap.
Authors: Jonathan Gornet, Bruno Sinopoli
Abstract: Decision-making under uncertainty is a fundamental problem encountered frequently and can be formulated as a stochastic multi-armed bandit problem. In the problem, the learner interacts with an environment by choosing an action at each round, where a round is an instance of an interaction. In response, the environment reveals a reward, which is sampled from a stochastic process, to the learner. The goal of the learner is to maximize cumulative reward. In this work, we assume that the rewards are the inner product of an action vector and a state vector generated by a linear Gaussian dynamical system. To predict the reward for each action, we propose a method that takes a linear combination of previously observed rewards for predicting each action's next reward. We show that, regardless of the sequence of previous actions chosen, the reward sampled for any previously chosen action can be used for predicting another action's future reward, i.e. the reward sampled for action 1 at round $t-1$ can be used for predicting the reward for action $2$ at round $t$. This is accomplished by designing a modified Kalman filter with a matrix representation that can be learned for reward prediction. Numerical evaluations are carried out on a set of linear Gaussian dynamical systems and are compared with 2 other well-known stochastic multi-armed bandit algorithms.
Authors: Joongkyu Lee, Min-hwan Oh
Abstract: In this paper, we study the contextual multinomial logit (MNL) bandit problem in which a learning agent sequentially selects an assortment based on contextual information, and user feedback follows an MNL choice model. There has been a significant discrepancy between lower and upper regret bounds, particularly regarding the feature dimension $d$ and the maximum assortment size $K$. Additionally, the variation in reward structures between these bounds complicates the quest for optimality. Under uniform rewards, where all items have the same expected reward, we establish a regret lower bound of $\Omega(d\sqrt{\smash[b]{T/K}})$ and propose a constant-time algorithm, OFU-MNL+, that achieves a matching upper bound of $\tilde{O}(d\sqrt{\smash[b]{T/K}})$. Under non-uniform rewards, we prove a lower bound of $\Omega(d\sqrt{T})$ and an upper bound of $\tilde{O}(d\sqrt{T})$, also achievable by OFU-MNL+. Our empirical studies support these theoretical findings. To the best of our knowledge, this is the first work in the contextual MNL bandit literature to prove minimax optimality -- for either uniform or non-uniform reward setting -- and to propose a computationally efficient algorithm that achieves this optimality up to logarithmic factors.
Authors: George Shaikovski, Adam Casson, Kristen Severson, Eric Zimmermann, Yi Kan Wang, Jeremy D. Kunz, Juan A. Retamero, Gerard Oakley, David Klimstra, Christopher Kanan, Matthew Hanna, Michal Zelechowski, Julian Viret, Neil Tenenholtz, James Hall, Nicolo Fusi, Razik Yousfi, Peter Hamilton, William A. Moye, Eugene Vorontsov, Siqi Liu, Thomas J. Fuchs
Abstract: Foundation models in computational pathology promise to unlock the development of new clinical decision support systems and models for precision medicine. However, there is a mismatch between most clinical analysis, which is defined at the level of one or more whole slide images, and foundation models to date, which process the thousands of image tiles contained in a whole slide image separately. The requirement to train a network to aggregate information across a large number of tiles in multiple whole slide images limits these models' impact. In this work, we present a slide-level foundation model for H&E-stained histopathology, PRISM, that builds on Virchow tile embeddings and leverages clinical report text for pre-training. Using the tile embeddings, PRISM produces slide-level embeddings with the ability to generate clinical reports, resulting in several modes of use. Using text prompts, PRISM achieves zero-shot cancer detection and sub-typing performance approaching and surpassing that of a supervised aggregator model. Using the slide embeddings with linear classifiers, PRISM surpasses supervised aggregator models. Furthermore, we demonstrate that fine-tuning of the PRISM slide encoder yields label-efficient training for biomarker prediction, a task that typically suffers from low availability of training data; an aggregator initialized with PRISM and trained on as little as 10% of the training data can outperform a supervised baseline that uses all of the data.
Authors: Yu Gui, Ying Jin, Zhimei Ren
Abstract: Before deploying outputs from foundation models in high-stakes tasks, it is imperative to ensure that they align with human values. For instance, in radiology report generation, reports generated by a vision-language model must align with human evaluations before their use in medical decision-making. This paper presents Conformal Alignment, a general framework for identifying units whose outputs meet a user-specified alignment criterion. It is guaranteed that on average, a prescribed fraction of selected units indeed meet the alignment criterion, regardless of the foundation model or the data distribution. Given any pre-trained model and new units with model-generated outputs, Conformal Alignment leverages a set of reference data with ground-truth alignment status to train an alignment predictor. It then selects new units whose predicted alignment scores surpass a data-dependent threshold, certifying their corresponding outputs as trustworthy. Through applications to question answering and radiology report generation, we demonstrate that our method is able to accurately identify units with trustworthy outputs via lightweight training over a moderate amount of reference data. En route, we investigate the informativeness of various features in alignment prediction and combine them with standard models to construct the alignment predictor.
Authors: Eduard Poesina, Cornelia Caragea, Radu Tudor Ionescu
Abstract: Natural language inference (NLI), the task of recognizing the entailment relationship in sentence pairs, is an actively studied topic serving as a proxy for natural language understanding. Despite the relevance of the task in building conversational agents and improving text classification, machine translation and other NLP tasks, to the best of our knowledge, there is no publicly available NLI corpus for the Romanian language. To this end, we introduce the first Romanian NLI corpus (RoNLI) comprising 58K training sentence pairs, which are obtained via distant supervision, and 6K validation and test sentence pairs, which are manually annotated with the correct labels. We conduct experiments with multiple machine learning methods based on distant learning, ranging from shallow models based on word embeddings to transformer-based neural networks, to establish a set of competitive baselines. Furthermore, we improve on the best model by employing a new curriculum learning strategy based on data cartography. Our dataset and code to reproduce the baselines are available at https://github.com/Eduard6421/RONLI.
Authors: Jan-Hendrik Ewers, David Anderson, Douglas Thomson
Abstract: Traditional search and rescue methods in wilderness areas can be time-consuming and have limited coverage. Drones offer a faster and more flexible solution, but optimizing their search paths is crucial. This paper explores the use of deep reinforcement learning to create efficient search missions for drones in wilderness environments. Our approach leverages a priori data about the search area and the missing person in the form of a probability distribution map. This allows the deep reinforcement learning agent to learn optimal flight paths that maximize the probability of finding the missing person quickly. Experimental results show that our method achieves a significant improvement in search times compared to traditional coverage planning and search planning algorithms. In one comparison, deep reinforcement learning is found to outperform other algorithms by over $160\%$, a difference that can mean life or death in real-world search operations. Additionally, unlike previous work, our approach incorporates a continuous action space enabled by cubature, allowing for more nuanced flight patterns.