Authors: Xinhao Zhang, Jinghan Zhang, Banafsheh Rekabdar, Yuanchun Zhou, Pengfei Wang, Kunpeng Liu
Abstract: The representation of feature space is a crucial environment where data points get vectorized and embedded for upcoming modeling. Thus the efficacy of machine learning (ML) algorithms is closely related to the quality of feature engineering. As one of the most important techniques, feature generation transforms raw data into an optimized feature space conducive to model training and further refines the space. Despite the advancements in automated feature engineering and feature generation, current methodologies often suffer from three fundamental issues: lack of explainability, limited applicability, and inflexible strategy. These shortcomings frequently hinder and limit the deployment of ML models across varied scenarios. Our research introduces a novel approach adopting large language models (LLMs) and feature-generating prompts to address these challenges. We propose a dynamic and adaptive feature generation method that enhances the interpretability of the feature generation process. Our approach broadens the applicability across various data types and tasks and draws advantages over strategic flexibility. A broad range of experiments showcases that our approach is significantly superior to existing methods.
Authors: Arun D. Kulkarni
Abstract: Recently, convolution neural networks (CNNs) have attracted a great deal of attention due to their remarkable performance in various domains, particularly in image and text classification tasks. However, their application to tabular data classification remains underexplored. There are many fields such as bioinformatics, finance, medicine where nonimage data are prevalent. Adaption of CNNs to classify nonimage data remains highly challenging. This paper investigates the efficacy of CNNs for tabular data classification, aiming to bridge the gap between traditional machine learning approaches and deep learning techniques. We propose a novel framework fuzzy convolution neural network (FCNN) tailored specifically for tabular data to capture local patterns within feature vectors. In our approach, we map feature values to fuzzy memberships. The fuzzy membership vectors are converted into images that are used to train the CNN model. The trained CNN model is used to classify unknown feature vectors. To validate our approach, we generated six complex noisy data sets. We used randomly selected seventy percent samples from each data set for training and thirty percent for testing. The data sets were also classified using the state-of-the-art machine learning algorithms such as the decision tree (DT), support vector machine (SVM), fuzzy neural network (FNN), Bayes classifier, and Random Forest (RF). Experimental results demonstrate that our proposed model can effectively learn meaningful representations from tabular data, achieving competitive or superior performance compared to existing methods. Overall, our finding suggests that the proposed FCNN model holds promise as a viable alternative for tabular data classification tasks, offering a fresh prospective and potentially unlocking new opportunities for leveraging deep learning in structured data analysis.
Authors: Pooja Thakar, Anil Mehta, Manisha
Abstract: Data Mining is a promising field and is applied in multiple domains for its predictive capabilities. Data in the real world cannot be readily used for data mining as it suffers from the problems of multidimensionality, unbalance and missing values. It is difficult to use its predictive capabilities by novice users. It is difficult for a beginner to find the relevant set of attributes from a large pool of data available. The paper presents a Robust Prediction Model that finds a relevant set of attributes; resolves the problems of unbalanced and multidimensional real-life datasets and helps in finding patterns for informed decision making. Model is tested upon five different datasets in the domain of Health Sector, Education, Business and Fraud Detection. The results showcase the robust behaviour of the model and its applicability in various domains.
Authors: Tingxu Han, Weisong Sun, Ziqi Ding, Chunrong Fang, Hanwei Qian, Jiaxun Li, Zhenyu Chen, Xiangyu Zhang
Abstract: Self-supervised learning (SSL) is increasingly attractive for pre-training encoders without requiring labeled data. Downstream tasks built on top of those pre-trained encoders can achieve nearly state-of-the-art performance. The pre-trained encoders by SSL, however, are vulnerable to backdoor attacks as demonstrated by existing studies. Numerous backdoor mitigation techniques are designed for downstream task models. However, their effectiveness is impaired and limited when adapted to pre-trained encoders, due to the lack of label information when pre-training. To address backdoor attacks against pre-trained encoders, in this paper, we innovatively propose a mutual information guided backdoor mitigation technique, named MIMIC. MIMIC treats the potentially backdoored encoder as the teacher net and employs knowledge distillation to distill a clean student encoder from the teacher net. Different from existing knowledge distillation approaches, MIMIC initializes the student with random weights, inheriting no backdoors from teacher nets. Then MIMIC leverages mutual information between each layer and extracted features to locate where benign knowledge lies in the teacher net, with which distillation is deployed to clone clean features from teacher to student. We craft the distillation loss with two aspects, including clone loss and attention loss, aiming to mitigate backdoors and maintain encoder performance at the same time. Our evaluation conducted on two backdoor attacks in SSL demonstrates that MIMIC can significantly reduce the attack success rate by only utilizing <5% of clean data, surpassing seven state-of-the-art backdoor mitigation techniques.
Authors: Jianping Zhou, Bin Lu, Zhanyu Liu, Siyu Pan, Xuejun Feng, Hua Wei, Guanjie Zheng, Xinbing Wang, Chenghu Zhou
Abstract: Due to detector malfunctions and communication failures, missing data is ubiquitous during the collection of traffic data. Therefore, it is of vital importance to impute the missing values to facilitate data analysis and decision-making for Intelligent Transportation System (ITS). However, existing imputation methods generally perform zero pre-filling techniques to initialize missing values, introducing inevitable noises. Moreover, we observe prevalent over-smoothing interpolations, falling short in revealing the intrinsic spatio-temporal correlations of incomplete traffic data. To this end, we propose Mask-Aware Graph imputation Network: MagiNet. Our method designs an adaptive mask spatio-temporal encoder to learn the latent representations of incomplete data, eliminating the reliance on pre-filling missing values. Furthermore, we devise a spatio-temporal decoder that stacks multiple blocks to capture the inherent spatial and temporal dependencies within incomplete traffic data, alleviating over-smoothing imputation. Extensive experiments demonstrate that our method outperforms state-of-the-art imputation methods on five real-world traffic datasets, yielding an average improvement of 4.31% in RMSE and 3.72% in MAPE.
Authors: Saber Malekmohammadi, Yaoliang Yu, Yang Cao
Abstract: High utility and rigorous data privacy are of the main goals of a federated learning (FL) system, which learns a model from the data distributed among some clients. The latter has been tried to achieve by using differential privacy in FL (DPFL). There is often heterogeneity in clients privacy requirements, and existing DPFL works either assume uniform privacy requirements for clients or are not applicable when server is not fully trusted (our setting). Furthermore, there is often heterogeneity in batch and/or dataset size of clients, which as shown, results in extra variation in the DP noise level across clients model updates. With these sources of heterogeneity, straightforward aggregation strategies, e.g., assigning clients aggregation weights proportional to their privacy parameters will lead to lower utility. We propose Robust-HDP, which efficiently estimates the true noise level in clients model updates and reduces the noise-level in the aggregated model updates considerably. Robust-HDP improves utility and convergence speed, while being safe to the clients that may maliciously send falsified privacy parameter to server. Extensive experimental results on multiple datasets and our theoretical analysis confirm the effectiveness of Robust-HDP. Our code can be found here.
Authors: Hamidreza Kamkari, Brendan Leigh Ross, Rasa Hosseinzadeh, Jesse C. Cresswell, Gabriel Loaiza-Ganem
Abstract: High-dimensional data commonly lies on low-dimensional submanifolds, and estimating the local intrinsic dimension (LID) of a datum -- i.e. the dimension of the submanifold it belongs to -- is a longstanding problem. LID can be understood as the number of local factors of variation: the more factors of variation a datum has, the more complex it tends to be. Estimating this quantity has proven useful in contexts ranging from generalization in neural networks to detection of out-of-distribution data, adversarial examples, and AI-generated text. The recent successes of deep generative models present an opportunity to leverage them for LID estimation, but current methods based on generative models produce inaccurate estimates, require more than a single pre-trained model, are computationally intensive, or do not exploit the best available deep generative models, i.e. diffusion models (DMs). In this work, we show that the Fokker-Planck equation associated with a DM can provide a LID estimator which addresses all the aforementioned deficiencies. Our estimator, called FLIPD, is compatible with all popular DMs, and outperforms existing baselines on LID estimation benchmarks. We also apply FLIPD on natural images where the true LID is unknown. Compared to competing estimators, FLIPD exhibits a higher correlation with non-LID measures of complexity, better matches a qualitative assessment of complexity, and is the only estimator to remain tractable with high-resolution images at the scale of Stable Diffusion.
Authors: Audrey Chang, Emily Diana, Alexander Williams Tolbert
Abstract: In this position and problem pitch paper, we offer a solution to the reference class problem in causal inference. We apply the Reconcile algorithm for model multiplicity in machine learning to reconcile heterogeneous effects in causal inference. Discrepancy between conditional average treatment effect (CATE) estimators of heterogeneous effects poses the reference class problem, where estimates for individual predictions differ by choice of reference class. By adopting the individual to group framework for interpreting probability, we can recognize that the reference class problem -- which appears across fields such as philosophy of science and causal inference -- is equivalent to the model multiplicity problem in computer science. We then apply the Reconcile Algorithm to reconcile differences in estimates of individual probability among CATE estimators. Because the reference class problem manifests in contexts of individual probability prediction using group-based evidence, our results have tangible implications for ensuring fair outcomes in high-stakes such as healthcare, insurance, and housing, especially for marginalized communities. By highlighting the importance of mitigating disparities in predictive modeling, our work invites further exploration into interdisciplinary strategies that combine technical rigor with a keen awareness of social implications. Ultimately, our findings advocate for a holistic approach to algorithmic fairness, underscoring the critical role of thoughtful, well-rounded solutions in achieving the broader goals of equity and access.
Authors: Yousef A. Radwan, Gabriel Kronberger, Stephan Winkler
Abstract: Symbolic regression is a machine learning method with the goal to produce interpretable results. Unlike other machine learning methods such as, e.g. random forests or neural networks, which are opaque, symbolic regression aims to model and map data in a way that can be understood by scientists. Recent advancements, have attempted to bridge the gap between these two fields; new methodologies attempt to fuse the mapping power of neural networks and deep learning techniques with the explanatory power of symbolic regression. In this paper, we examine these new emerging systems and test the performance of an end-to-end transformer model for symbolic regression versus the reigning traditional methods based on genetic programming that have spearheaded symbolic regression throughout the years. We compare these systems on novel datasets to avoid bias to older methods who were improved on well-known benchmark datasets. Our results show that traditional GP methods as implemented e.g., by Operon still remain superior to two recently published symbolic regression methods.
Authors: Yihan Wang, Yiwei Lu, Guojun Zhang, Franziska Boenisch, Adam Dziedzic, Yaoliang Yu, Xiao-Shan Gao
Abstract: Machine unlearning provides viable solutions to revoke the effect of certain training data on pre-trained model parameters. Existing approaches provide unlearning recipes for classification and generative models. However, a category of important machine learning models, i.e., contrastive learning (CL) methods, is overlooked. In this paper, we fill this gap by first proposing the framework of Machine Unlearning for Contrastive learning (MUC) and adapting existing methods. Furthermore, we observe that several methods are mediocre unlearners and existing auditing tools may not be sufficient for data owners to validate the unlearning effects in contrastive learning. We thus propose a novel method called Alignment Calibration (AC) by explicitly considering the properties of contrastive learning and optimizing towards novel auditing metrics to easily verify unlearning. We empirically compare AC with baseline methods on SimCLR, MoCo and CLIP. We observe that AC addresses drawbacks of existing methods: (1) achieving state-of-the-art performance and approximating exact unlearning (retraining); (2) allowing data owners to clearly visualize the effect caused by unlearning through black-box auditing.
Authors: Cyprien Qu\'em\'eneur, Soumaya Cherkaoui
Abstract: The Internet of Vehicles (IoV) emerges as a pivotal component for autonomous driving and intelligent transportation systems (ITS), by enabling low-latency big data processing in a dense interconnected network that comprises vehicles, infrastructures, pedestrians and the cloud. Autonomous vehicles are heavily reliant on machine learning (ML) and can strongly benefit from the wealth of sensory data generated at the edge, which calls for measures to reconcile model training with preserving the privacy of sensitive user data. Federated learning (FL) stands out as a promising solution to train sophisticated ML models in vehicular networks while protecting the privacy of road users and mitigating communication overhead. This paper examines the federated optimization of the cutting-edge YOLOv7 model to tackle real-time object detection amid data heterogeneity, encompassing unbalancedness, concept drift, and label distribution skews. To this end, we introduce FedPylot, a lightweight MPI-based prototype to simulate federated object detection experiments on high-performance computing (HPC) systems, where we safeguard server-client communications using hybrid encryption. Our study factors in accuracy, communication cost, and inference speed, thereby presenting a balanced approach to the challenges faced by autonomous vehicles. We demonstrate promising results for the applicability of FL in IoV and hope that FedPylot will provide a basis for future research into federated real-time object detection. The source code is available at https://github.com/cyprienquemeneur/fedpylot.
Authors: Alexander Bakumenko (Clemson University, USA), Kate\v{r}ina Hlav\'a\v{c}kov\'a-Schindler (University of Vienna, Austria), Claudia Plant (University of Vienna, Austria), Nina C. Hubig (Clemson University, USA)
Abstract: Detecting anomalies in general ledger data is of utmost importance to ensure trustworthiness of financial records. Financial audits increasingly rely on machine learning (ML) algorithms to identify irregular or potentially fraudulent journal entries, each characterized by a varying number of transactions. In machine learning, heterogeneity in feature dimensions adds significant complexity to data analysis. In this paper, we introduce a novel approach to anomaly detection in financial data using Large Language Models (LLMs) embeddings. To encode non-semantic categorical data from real-world financial records, we tested 3 pre-trained general purpose sentence-transformer models. For the downstream classification task, we implemented and evaluated 5 optimized ML models including Logistic Regression, Random Forest, Gradient Boosting Machines, Support Vector Machines, and Neural Networks. Our experiments demonstrate that LLMs contribute valuable information to anomaly detection as our models outperform the baselines, in selected settings even by a large margin. The findings further underscore the effectiveness of LLMs in enhancing anomaly detection in financial journal entries, particularly by tackling feature sparsity. We discuss a promising perspective on using LLM embeddings for non-semantic data in the financial context and beyond.
Authors: Ben Shaw, Abram Magner, Kevin R. Moon
Abstract: Symmetry detection has been shown to improve various machine learning tasks. In the context of continuous symmetry detection, current state of the art experiments are limited to the detection of affine transformations. Under the manifold assumption, we outline a framework for discovering continuous symmetry in data beyond the affine transformation group. We also provide a similar framework for discovering discrete symmetry. We experimentally compare our method to an existing method known as LieGAN and show that our method is competitive at detecting affine symmetries for large sample sizes and superior than LieGAN for small sample sizes. We also show our method is able to detect continuous symmetries beyond the affine group and is generally more computationally efficient than LieGAN.
Authors: Hilal Asi, Tomer Koren, Daogao Liu, Kunal Talwar
Abstract: We study the problem of private online learning, specifically, online prediction from experts (OPE) and online convex optimization (OCO). We propose a new transformation that transforms lazy online learning algorithms into private algorithms. We apply our transformation for differentially private OPE and OCO using existing lazy algorithms for these problems. Our final algorithms obtain regret, which significantly improves the regret in the high privacy regime $\varepsilon \ll 1$, obtaining $\sqrt{T \log d} + T^{1/3} \log(d)/\varepsilon^{2/3}$ for DP-OPE and $\sqrt{T} + T^{1/3} \sqrt{d}/\varepsilon^{2/3}$ for DP-OCO. We also complement our results with a lower bound for DP-OPE, showing that these rates are optimal for a natural family of low-switching private algorithms.
Authors: Dyah Adila, Shuai Zhang, Boran Han, Yuyang Wang
Abstract: The question-answering (QA) capabilities of foundation models are highly sensitive to prompt variations, rendering their performance susceptible to superficial, non-meaning-altering changes. This vulnerability often stems from the model's preference or bias towards specific input characteristics, such as option position or superficial image features in multi-modal settings. We propose to rectify this bias directly in the model's internal representation. Our approach, SteerFair, finds the bias direction in the model's representation space and steers activation values away from it during inference. Specifically, we exploit the observation that bias often adheres to simple association rules, such as the spurious association between the first option and correctness likelihood. Next, we construct demonstrations of these rules from unlabeled samples and use them to identify the bias directions. We empirically show that SteerFair significantly reduces instruction-tuned model performance variance across prompt modifications on three benchmark tasks. Remarkably, our approach surpasses a supervised baseline with 100 labels by an average of 10.86% accuracy points and 12.95 score points and matches the performance with 500 labels.
Authors: Yang Liu, Chuan Zhou, Peng Zhang, Shirui Pan, Zhao Li, Hongyang Chen
Abstract: In recent years, there has been notable interest in investigating combinatorial optimization (CO) problems by neural-based framework. An emerging strategy to tackle these challenging problems involves the adoption of graph neural networks (GNNs) as an alternative to traditional algorithms, a subject that has attracted considerable attention. Despite the growing popularity of GNNs and traditional algorithm solvers in the realm of CO, there is limited research on their integrated use and the correlation between them within an end-to-end framework. The primary focus of our work is to formulate a more efficient and precise framework for CO by employing decision-focused learning on graphs. Additionally, we introduce a decision-focused framework that utilizes GNNs to address CO problems with auxiliary support. To realize an end-to-end approach, we have designed two cascaded modules: (a) an unsupervised trained graph predictive model, and (b) a solver for quadratic binary unconstrained optimization. Empirical evaluations are conducted on various classical tasks, including maximum cut, maximum independent set, and minimum vertex cover. The experimental results on classical CO problems (i.e. MaxCut, MIS, and MVC) demonstrate the superiority of our method over both the standalone GNN approach and classical methods.
Authors: Vignesh Subramanian, Rohit Kushwah, Subhajit Roy, Suguman Bansal
Abstract: We present a novel inductive generalization framework for RL from logical specifications. Many interesting tasks in RL environments have a natural inductive structure. These inductive tasks have similar overarching goals but they differ inductively in low-level predicates and distributions. We present a generalization procedure that leverages this inductive relationship to learn a higher-order function, a policy generator, that generates appropriately adapted policies for instances of an inductive task in a zero-shot manner. An evaluation of the proposed approach on a set of challenging control benchmarks demonstrates the promise of our framework in generalizing to unseen policies for long-horizon tasks.
Authors: Liv Gorton
Abstract: Recent work on sparse autoencoders (SAEs) has shown promise in extracting interpretable features from neural networks and addressing challenges with polysemantic neurons caused by superposition. In this paper, we apply SAEs to the early vision layers of InceptionV1, a well-studied convolutional neural network, with a focus on curve detectors. Our results demonstrate that SAEs can uncover new interpretable features not apparent from examining individual neurons, including additional curve detectors that fill in previous gaps. We also find that SAEs can decompose some polysemantic neurons into more monosemantic constituent features. These findings suggest SAEs are a valuable tool for understanding InceptionV1, and convolutional neural networks more generally.
Authors: Jihyeon Seong, Sekwang Oh, Jaesik Choi
Abstract: Trend filtering simplifies complex time series data by applying smoothness to filter out noise while emphasizing proximity to the original data. However, existing trend filtering methods fail to reflect abrupt changes in the trend due to `approximateness,' resulting in constant smoothness. This approximateness uniformly filters out the tail distribution of time series data, characterized by extreme values, including both abrupt changes and noise. In this paper, we propose Trend Point Detection formulated as a Markov Decision Process (MDP), a novel approach to identifying essential points that should be reflected in the trend, departing from approximations. We term these essential points as Dynamic Trend Points (DTPs) and extract trends by interpolating them. To identify DTPs, we utilize Reinforcement Learning (RL) within a discrete action space and a forecasting sum-of-squares loss function as a reward, referred to as the Dynamic Trend Filtering network (DTF-net). DTF-net integrates flexible noise filtering, preserving critical original subsequences while removing noise as required for other subsequences. We demonstrate that DTF-net excels at capturing abrupt changes compared to other trend filtering algorithms and enhances forecasting performance, as abrupt changes are predicted rather than smoothed out.
Authors: Jeongwhan Choi, Sumin Park, Hyowon Wi, Sung-Bae Cho, Noseong Park
Abstract: Recent research in the field of graph neural network (GNN) has identified a critical issue known as "over-squashing," resulting from the bottleneck phenomenon in graph structures, which impedes the propagation of long-range information. Prior works have proposed a variety of graph rewiring concepts that aim at optimizing the spatial or spectral properties of graphs to promote the signal propagation. However, such approaches inevitably deteriorate the original graph topology, which may lead to a distortion of information flow. To address this, we introduce an expanded width-aware (PANDA) message passing, a new message passing paradigm where nodes with high centrality, a potential source of over-squashing, are selectively expanded in width to encapsulate the growing influx of signals from distant nodes. Experimental results show that our method outperforms existing rewiring methods, suggesting that selectively expanding the hidden state of nodes can be a compelling alternative to graph rewiring for addressing the over-squashing.
Authors: Yaozhong Gan, Renye Yan, Zhe Wu, Junliang Xing
Abstract: On-policy reinforcement learning methods, like Trust Region Policy Optimization (TRPO) and Proximal Policy Optimization (PPO), often demand extensive data per update, leading to sample inefficiency. This paper introduces Reflective Policy Optimization (RPO), a novel on-policy extension that amalgamates past and future state-action information for policy optimization. This approach empowers the agent for introspection, allowing modifications to its actions within the current state. Theoretical analysis confirms that policy performance is monotonically improved and contracts the solution space, consequently expediting the convergence procedure. Empirical results demonstrate RPO's feasibility and efficacy in two reinforcement learning benchmarks, culminating in superior sample efficiency. The source code of this work is available at https://github.com/Edgargan/RPO.
Authors: Atsutoshi Kumagai, Tomoharu Iwata, Yasuhiro Fujiwara
Abstract: We propose a meta-learning method for positive and unlabeled (PU) classification, which improves the performance of binary classifiers obtained from only PU data in unseen target tasks. PU learning is an important problem since PU data naturally arise in real-world applications such as outlier detection and information retrieval. Existing PU learning methods require many PU data, but sufficient data are often unavailable in practice. The proposed method minimizes the test classification risk after the model is adapted to PU data by using related tasks that consist of positive, negative, and unlabeled data. We formulate the adaptation as an estimation problem of the Bayes optimal classifier, which is an optimal classifier to minimize the classification risk. The proposed method embeds each instance into a task-specific space using neural networks. With the embedded PU data, the Bayes optimal classifier is estimated through density-ratio estimation of PU densities, whose solution is obtained as a closed-form solution. The closed-form solution enables us to efficiently and effectively minimize the test classification risk. We empirically show that the proposed method outperforms existing methods with one synthetic and three real-world datasets.
Authors: Behrooz Tahmasebi, Ashkan Soleymani, Dara Bahri, Stefanie Jegelka, Patrick Jaillet
Abstract: Recently, there has been a surge in interest in developing optimization algorithms for overparameterized models as achieving generalization is believed to require algorithms with suitable biases. This interest centers on minimizing sharpness of the original loss function; the Sharpness-Aware Minimization (SAM) algorithm has proven effective. However, most literature only considers a few sharpness measures, such as the maximum eigenvalue or trace of the training loss Hessian, which may not yield meaningful insights for non-convex optimization scenarios like neural networks. Additionally, many sharpness measures are sensitive to parameter invariances in neural networks, magnifying significantly under rescaling parameters. Motivated by these challenges, we introduce a new class of sharpness measures in this paper, leading to new sharpness-aware objective functions. We prove that these measures are \textit{universally expressive}, allowing any function of the training loss Hessian matrix to be represented by appropriate hyperparameters. Furthermore, we show that the proposed objective functions explicitly bias towards minimizing their corresponding sharpness measures, and how they allow meaningful applications to models with parameter invariances (such as scale-invariances). Finally, as instances of our proposed general framework, we present \textit{Frob-SAM} and \textit{Det-SAM}, which are specifically designed to minimize the Frobenius norm and the determinant of the Hessian of the training loss, respectively. We also demonstrate the advantages of our general framework through extensive experiments.
Authors: Ding Huang, Ting Li, Jian Huang
Abstract: We propose a Bayesian framework for fine-tuning large diffusion models with a novel network structure called Bayesian Power Steering (BPS). We clarify the meaning behind adaptation from a \textit{large probability space} to a \textit{small probability space} and explore the task of fine-tuning pre-trained models using learnable modules from a Bayesian perspective. BPS extracts task-specific knowledge from a pre-trained model's learned prior distribution. It efficiently leverages large diffusion models, differentially intervening different hidden features with a head-heavy and foot-light configuration. Experiments highlight the superiority of BPS over contemporary methods across a range of tasks even with limited amount of data. Notably, BPS attains an FID score of 10.49 under the sketch condition on the COCO17 dataset.
Authors: Artem Zholus, Maksim Kuznetsov, Roman Schutski, Rim Shayakhmetov, Daniil Polykovskiy, Sarath Chandar, Alex Zhavoronkov
Abstract: Generating novel active molecules for a given protein is an extremely challenging task for generative models that requires an understanding of the complex physical interactions between the molecule and its environment. In this paper, we present a novel generative model, BindGPT which uses a conceptually simple but powerful approach to create 3D molecules within the protein's binding site. Our model produces molecular graphs and conformations jointly, eliminating the need for an extra graph reconstruction step. We pretrain BindGPT on a large-scale dataset and fine-tune it with reinforcement learning using scores from external simulation software. We demonstrate how a single pretrained language model can serve at the same time as a 3D molecular generative model, conformer generator conditioned on the molecular graph, and a pocket-conditioned 3D molecule generator. Notably, the model does not make any representational equivariance assumptions about the domain of generation. We show how such simple conceptual approach combined with pretraining and scaling can perform on par or better than the current best specialized diffusion models, language models, and graph neural networks while being two orders of magnitude cheaper to sample.
Authors: Roland Stolz, Hanna Krasowski, Jakob Thumm, Michael Eichelbeck, Philipp Gassert, Matthias Althoff
Abstract: Continuous action spaces in reinforcement learning (RL) are commonly defined as interval sets. While intervals usually reflect the action boundaries for tasks well, they can be challenging for learning because the typically large global action space leads to frequent exploration of irrelevant actions. Yet, little task knowledge can be sufficient to identify significantly smaller state-specific sets of relevant actions. Focusing learning on these relevant actions can significantly improve training efficiency and effectiveness. In this paper, we propose to focus learning on the set of relevant actions and introduce three continuous action masking methods for exactly mapping the action space to the state-dependent set of relevant actions. Thus, our methods ensure that only relevant actions are executed, enhancing the predictability of the RL agent and enabling its use in safety-critical applications. We further derive the implications of the proposed methods on the policy gradient. Using Proximal Policy Optimization (PPO), we evaluate our methods on three control tasks, where the relevant action set is computed based on the system dynamics and a relevant state set. Our experiments show that the three action masking methods achieve higher final rewards and converge faster than the baseline without action masking.
Authors: Liyi Zhang, Michael Y. Li, Thomas L. Griffiths
Abstract: Autoregressive language models have demonstrated a remarkable ability to extract latent structure from text. The embeddings from large language models have been shown to capture aspects of the syntax and semantics of language. But what {\em should} embeddings represent? We connect the autoregressive prediction objective to the idea of constructing predictive sufficient statistics to summarize the information contained in a sequence of observations, and use this connection to identify three settings where the optimal content of embeddings can be identified: independent identically distributed data, where the embedding should capture the sufficient statistics of the data; latent state models, where the embedding should encode the posterior distribution over states given the data; and discrete hypothesis spaces, where the embedding should reflect the posterior distribution over hypotheses given the data. We then conduct empirical probing studies to show that transformers encode these three kinds of latent generating distributions, and that they perform well in out-of-distribution cases and without token memorization in these settings.
Authors: Jiaxi Hu, Qingsong Wen, Sijie Ruan, Li Liu, Yuxuan Liang
Abstract: Recently, multivariate time series forecasting tasks have garnered increasing attention due to their significant practical applications, leading to the emergence of various deep forecasting models. However, real-world time series exhibit pronounced non-stationary distribution characteristics. These characteristics are not solely limited to time-varying statistical properties highlighted by non-stationary Transformer but also encompass three key aspects: nested periodicity, absence of periodic distributions, and hysteresis among time variables. In this paper, we begin by validating this theory through wavelet analysis and propose the Transformer-based TwinS model, which consists of three modules to address the non-stationary periodic distributions: Wavelet Convolution, Period-Aware Attention, and Channel-Temporal Mixed MLP. Specifically, The Wavelet Convolution models nested periods by scaling the convolution kernel size like wavelet transform. The Period-Aware Attention guides attention computation by generating period relevance scores through a convolutional sub-network. The Channel-Temporal Mixed MLP captures the overall relationships between time series through channel-time mixing learning. TwinS achieves SOTA performance compared to mainstream TS models, with a maximum improvement in MSE of 25.8\% over PatchTST.
Authors: Ke Xue, Rong-Xi Tan, Xiaobin Huang, Chao Qian
Abstract: Offline optimization aims to maximize a black-box objective function with a static dataset and has wide applications. In addition to the objective function being black-box and expensive to evaluate, numerous complex real-world problems entail optimizing multiple conflicting objectives, i.e., multi-objective optimization (MOO). Nevertheless, offline MOO has not progressed as much as offline single-objective optimization (SOO), mainly due to the lack of benchmarks like Design-Bench for SOO. To bridge this gap, we propose a first benchmark for offline MOO, covering a range of problems from synthetic to real-world tasks. This benchmark provides tasks, datasets, and open-source examples, which can serve as a foundation for method comparisons and advancements in offline MOO. Furthermore, we analyze how the current related methods can be adapted to offline MOO from four fundamental perspectives, including data, model architecture, learning algorithm, and search algorithm. Empirical results show improvements over the best value of the training set, demonstrating the effectiveness of offline MOO methods. As no particular method stands out significantly, there is still an open challenge in further enhancing the effectiveness of offline MOO. We finally discuss future challenges for offline MOO, with the hope of shedding some light on this emerging field. Our code is available at \url{https://github.com/lamda-bbo/offline-moo}.
Authors: Xihan Qin, Cencheng Shen
Abstract: Graph is a ubiquitous representation of data in various research fields, and graph embedding is a prevalent machine learning technique for capturing key features and generating fixed-sized attributes. However, most state-of-the-art graph embedding methods are computationally and spatially expensive. Recently, the Graph Encoder Embedding (GEE) has been shown as the fastest graph embedding technique and is suitable for a variety of network data applications. As real-world data often involves large and sparse graphs, the huge sparsity usually results in redundant computations and storage. To address this issue, we propose an improved version of GEE, sparse GEE, which optimizes the calculation and storage of zero entries in sparse matrices to enhance the running time further. Our experiments demonstrate that the sparse version achieves significant speedup compared to the original GEE with Python implementation for large sparse graphs, and sparse GEE is capable of processing millions of edges within minutes on a standard laptop.
Authors: Aditya Raj Verma, Gagandeep Singh, Karnim Meghwal, Banawath Ramji, Praveen Kumar Dadheech
Abstract: This research combines MediaPipe and CNNs for the efficient and accurate interpretation of ASL dataset for the real-time detection of sign language. The system presented here captures and processes hands' gestures in real time. the intended purpose was to create a very easy, accurate, and fast way of entering commands without the necessity of touching something.MediaPipe supports one of the powerful frameworks in real-time hand tracking capabilities for the ability to capture and preprocess hand movements, which increases the accuracy of the gesture recognition system. Actually, the integration of CNN with the MediaPipe results in higher efficiency in using the model of real-time processing.The accuracy achieved by the model on ASL datasets is 99.12\%.The model was tested using American Sign Language (ASL) datasets. The results were then compared to those of existing methods to evaluate how well it performed, using established evaluation techniques. The system will have applications in the communication, education, and accessibility domains. Making systems such as described in this paper even better will assist people with hearing impairment and make things accessible to them. We tested the recognition and translation performance on an ASL dataset and achieved better accuracy over previous models.It is meant to the research is to identify the characters that American signs recognize using hand images taken from a web camera by based on mediapipe and CNNs
Authors: Zihan Chen, Song Wang, Cong Shen, Jundong Li
Abstract: In-context learning (ICL) empowers large language models (LLMs) to tackle new tasks by using a series of training instances as prompts. Since generating the prompts needs to sample from a vast pool of instances and annotate them (e.g., add labels in classification task), existing methods have proposed to select a subset of unlabeled examples for annotation, thus enhancing the quality of prompts and concurrently mitigating annotation costs. However, these methods often require a long time to select instances due to their complexity, hindering their practical viability. To address this limitation, we propose a graph-based selection method, FastGAS, designed to efficiently identify high-quality instances while minimizing computational overhead. Initially, we construct a data similarity graph based on instance similarities. Subsequently, employing a graph partitioning algorithm, we partition the graph into pieces. Within each piece (i.e., subgraph), we adopt a greedy approach to pick the most representative nodes. By aggregating nodes from diverse pieces and annotating the corresponding instances, we identify a set of diverse and representative instances for ICL. Compared to prior approaches, our method not only exhibits superior performance on different tasks but also significantly reduces selection time. In addition, we demonstrate the efficacy of our approach in LLMs of larger sizes.
Authors: Ren-Jian Wang, Ke Xue, Cong Guan, Chao Qian
Abstract: Quality-Diversity (QD) algorithms have emerged as a powerful optimization paradigm with the aim of generating a set of high-quality and diverse solutions. To achieve such a challenging goal, QD algorithms require maintaining a large archive and a large population in each iteration, which brings two main issues, sample and resource efficiency. Most advanced QD algorithms focus on improving the sample efficiency, while the resource efficiency is overlooked to some extent. Particularly, the resource overhead during the training process has not been touched yet, hindering the wider application of QD algorithms. In this paper, we highlight this important research question, i.e., how to efficiently train QD algorithms with limited resources, and propose a novel and effective method called RefQD to address it. RefQD decomposes a neural network into representation and decision parts, and shares the representation part with all decision parts in the archive to reduce the resource overhead. It also employs a series of strategies to address the mismatch issue between the old decision parts and the newly updated representation part. Experiments on different types of tasks from small to large resource consumption demonstrate the excellent performance of RefQD: it not only uses significantly fewer resources (e.g., 16\% GPU memories on QDax and 3.7\% on Atari) but also achieves comparable or better performance compared to sample-efficient QD algorithms. Our code is available at \url{https://github.com/lamda-bbo/RefQD}.
Authors: Chang Yu, Yongshun Xu, Jin Cao, Ye Zhang, Yinxin Jin, Mengran Zhu
Abstract: With the proliferation of various online and mobile payment systems, credit card fraud has emerged as a significant threat to financial security. This study focuses on innovative applications of the latest Transformer models for more robust and precise fraud detection. To ensure the reliability of the data, we meticulously processed the data sources, balancing the dataset to address the issue of data sparsity significantly. We also selected highly correlated vectors to strengthen the training process.To guarantee the reliability and practicality of the new Transformer model, we conducted performance comparisons with several widely adopted models, including Support Vector Machine (SVM), Random Forest, Neural Network, and Logistic Regression. We rigorously compared these models using metrics such as Precision, Recall, and F1 Score. Through these detailed analyses and comparisons, we present to the readers a highly efficient and powerful anti-fraud mechanism with promising prospects. The results demonstrate that the Transformer model not only excels in traditional applications but also shows great potential in niche areas like fraud detection, offering a substantial advancement in the field.
Authors: Jingyang Ou, Shen Nie, Kaiwen Xue, Fengqi Zhu, Jiacheng Sun, Zhenguo Li, Chongxuan Li
Abstract: Discrete diffusion models with absorbing processes have shown promise in language modeling. The key quantities to be estimated are the ratios between the marginal probabilities of two transitive states at all timesteps, called the concrete score. In this paper, we reveal that the concrete score in absorbing diffusion can be expressed as conditional probabilities of clean data, multiplied by a time-dependent scalar in an analytic form. Motivated by the finding, we propose reparameterized absorbing discrete diffusion (RADD), a dedicated diffusion model that characterizes the time-independent conditional probabilities. Besides its simplicity, RADD can reduce the number of function evaluations (NFEs) by caching the output of the time-independent network when the noisy sample remains unchanged in a sampling interval. Empirically, RADD is up to 3.5 times faster while consistently achieving a better performance than the strongest baseline. Built upon the new factorization of the concrete score, we further prove a surprising result that the exact likelihood of absorbing diffusion can be rewritten to a simple form (named denoising cross-entropy) and then estimated efficiently by the Monte Carlo method. The resulting approach also applies to the original parameterization of the concrete score. It significantly advances the state-of-the-art discrete diffusion on 5 zero-shot language modeling benchmarks (measured by perplexity) at the GPT-2 scale.
Authors: Yifan Hu, Peiyuan Liu, Peng Zhu, Dawei Cheng, Tao Dai
Abstract: Transformer-based and MLP-based methods have emerged as leading approaches in time series forecasting (TSF). While Transformer-based methods excel in capturing long-range dependencies, they suffer from high computational complexities and tend to overfit. Conversely, MLP-based methods offer computational efficiency and adeptness in modeling temporal dynamics, but they struggle with capturing complex temporal patterns effectively. To address these challenges, we propose a novel MLP-based Adaptive Multi-Scale Decomposition (AMD) framework for TSF. Our framework decomposes time series into distinct temporal patterns at multiple scales, leveraging the Multi-Scale Decomposable Mixing (MDM) block to dissect and aggregate these patterns in a residual manner. Complemented by the Dual Dependency Interaction (DDI) block and the Adaptive Multi-predictor Synthesis (AMS) block, our approach effectively models both temporal and channel dependencies and utilizes autocorrelation to refine multi-scale data integration. Comprehensive experiments demonstrate that our AMD framework not only overcomes the limitations of existing methods but also consistently achieves state-of-the-art performance in both long-term and short-term forecasting tasks across various datasets, showcasing superior efficiency. Code is available at \url{https://github.com/TROUBADOUR000/AMD}
Authors: Xinhao Yao, Xiaolin Hu, Shenzhi Yang, Yong Liu
Abstract: Pre-trained large language models (LLMs) based on Transformer have demonstrated striking in-context learning (ICL) abilities. With a few demonstration input-label pairs, they can predict the label for an unseen input without any parameter updates. In this paper, we show an exciting phenomenon that SVD-based weight pruning can enhance ICL performance, and more surprising, pruning weights in deep layers often results in more stable performance improvements in shallow layers. However, the underlying mechanism of those findings still remains an open question. To reveal those findings, we conduct an in-depth theoretical analysis by presenting the implicit gradient descent (GD) trajectories of ICL and giving the mutual information based generalization bounds of ICL via full implicit GD trajectories. This helps us reasonably explain the surprising experimental findings. Besides, based on all our experimental and theoretical insights, we intuitively propose a simple, model-compression and derivative-free algorithm for downstream tasks in enhancing ICL inference. Experiments on benchmark datasets and open source LLMs display the method effectiveness\footnote{The code is available at \url{https://github.com/chen123CtrlS/EnhancingICL_SVDPruning}}.
URLs: https://github.com/chen123CtrlS/EnhancingICL_SVDPruning
Authors: Sinan Koparan, Bahman Javadi
Abstract: This paper focuses on the physical racetrack capabilities of AWS DeepRacer. Two separate experiments were conducted. The first experiment (Experiment I) focused on evaluating the impact of hyperparameters on the physical environment. Hyperparameters such as gradient descent batch size and loss type were changed systematically as well as training time settings. The second experiment (Experiment II) focused on exploring AWS DeepRacer object avoidance in the physical environment. It was uncovered that in the simulated environment, models with a higher gradient descent batch size had better performance than models with a lower gradient descent batch size. Alternatively, in the physical environment, a gradient descent batch size of 128 appears to be preferable. It was found that models using the loss type of Huber outperformed models that used the loss type of MSE in both the simulated and physical environments. Finally, object avoidance in the simulated environment appeared to be effective; however, when bringing these models to the physical environment, there was a pronounced challenge to avoid objects. Therefore, object avoidance in the physical environment remains an open challenge.
Authors: Ruiyang Qin, Dancheng Liu, Zheyu Yan, Zhaoxuan Tan, Zixuan Pan, Zhenge Jia, Meng Jiang, Ahmed Abbasi, Jinjun Xiong, Yiyu Shi
Abstract: The scaling laws have become the de facto guidelines for designing large language models (LLMs), but they were studied under the assumption of unlimited computing resources for both training and inference. As LLMs are increasingly used as personalized intelligent assistants, their customization (i.e., learning through fine-tuning) and deployment onto resource-constrained edge devices will become more and more prevalent. An urging but open question is how a resource-constrained computing environment would affect the design choices for a personalized LLM. We study this problem empirically in this work. In particular, we consider the tradeoffs among a number of key design factors and their intertwined impacts on learning efficiency and accuracy. The factors include the learning methods for LLM customization, the amount of personalized data used for learning customization, the types and sizes of LLMs, the compression methods of LLMs, the amount of time afforded to learn, and the difficulty levels of the target use cases. Through extensive experimentation and benchmarking, we draw a number of surprisingly insightful guidelines for deploying LLMs onto resource-constrained devices. For example, an optimal choice between parameter learning and RAG may vary depending on the difficulty of the downstream task, the longer fine-tuning time does not necessarily help the model, and a compressed LLM may be a better choice than an uncompressed LLM to learn from limited personalized data.
Authors: Sunwoong Yang, Ricardo Vinuesa, Namwoo Kang
Abstract: This study aims to overcome the conventional deep-learning approaches based on convolutional neural networks, whose applicability to complex geometries and unstructured meshes is limited due to their inherent mesh dependency. We propose novel approaches to improve mesh-agnostic spatio-temporal prediction of transient flow fields using graph U-Nets, enabling accurate prediction on diverse mesh configurations. Key enhancements to the graph U-Net architecture, including the Gaussian mixture model convolutional operator and noise injection approaches, provide increased flexibility in modeling node dynamics: the former reduces prediction error by 95\% compared to conventional convolutional operators, while the latter improves long-term prediction robustness, resulting in an error reduction of 86\%. We also investigate transductive and inductive-learning perspectives of graph U-Nets with proposed improvements. In the transductive setting, they effectively predict quantities for unseen nodes within the trained graph. In the inductive setting, they successfully perform in mesh scenarios with different vortex-shedding periods, showing 98\% improvement in predicting the future flow fields compared to a model trained without the inductive settings. It is found that graph U-Nets without pooling operations, i.e. without reducing and restoring the node dimensionality of the graph data, perform better in inductive settings due to their ability to learn from the detailed structure of each graph. Meanwhile, we also discover that the choice of normalization technique significantly impacts graph U-Net performance.
Authors: Daniel Galvez, Vladimir Bataev, Hainan Xu, Tim Kaldewey
Abstract: The vast majority of inference time for RNN Transducer (RNN-T) models today is spent on decoding. Current state-of-the-art RNN-T decoding implementations leave the GPU idle ~80% of the time. Leveraging a new CUDA 12.4 feature, CUDA graph conditional nodes, we present an exact GPU-based implementation of greedy decoding for RNN-T models that eliminates this idle time. Our optimizations speed up a 1.1 billion parameter RNN-T model end-to-end by a factor of 2.5x. This technique can applied to the "label looping" alternative greedy decoding algorithm as well, achieving 1.7x and 1.4x end-to-end speedups when applied to 1.1 billion parameter RNN-T and Token and Duration Transducer models respectively. This work enables a 1.1 billion parameter RNN-T model to run only 16% slower than a similarly sized CTC model, contradicting the common belief that RNN-T models are not suitable for high throughput inference. The implementation is available in NVIDIA NeMo.
Authors: Yue Xu, Zhilin Lin, Yusong Qiu, Cewu Lu, Yong-Lu Li
Abstract: Though dataset distillation has witnessed rapid development in recent years, the distillation of multimodal data, e.g., image-text pairs, poses unique and under-explored challenges. Unlike unimodal data, image-text contrastive learning (ITC) data lack inherent categorization and should instead place greater emphasis on modality correspondence. In this work, we propose Low-Rank Similarity Mining (LoRS) for multimodal dataset distillation, that concurrently distills a ground truth similarity matrix with image-text pairs, and leverages low-rank factorization for efficiency and scalability. The proposed approach brings significant improvement to the existing algorithms, marking a significant contribution to the field of visual-language dataset distillation. We advocate adopting LoRS as a foundational synthetic data setup for image-text dataset distillation. Our code is available at https://github.com/silicx/LoRS_Distill.
Authors: Zun Wang, Chang Liu, Nianlong Zou, He Zhang, Xinran Wei, Lin Huang, Lijun Wu, Bin Shao
Abstract: In this study, we introduce a unified neural network architecture, the Deep Equilibrium Density Functional Theory Hamiltonian (DEQH) model, which incorporates Deep Equilibrium Models (DEQs) for predicting Density Functional Theory (DFT) Hamiltonians. The DEQH model inherently captures the self-consistency nature of Hamiltonian, a critical aspect often overlooked by traditional machine learning approaches for Hamiltonian prediction. By employing DEQ within our model architecture, we circumvent the need for DFT calculations during the training phase to introduce the Hamiltonian's self-consistency, thus addressing computational bottlenecks associated with large or complex systems. We propose a versatile framework that combines DEQ with off-the-shelf machine learning models for predicting Hamiltonians. When benchmarked on the MD17 and QH9 datasets, DEQHNet, an instantiation of the DEQH framework, has demonstrated a significant improvement in prediction accuracy. Beyond a predictor, the DEQH model is a Hamiltonian solver, in the sense that it uses the fixed-point solving capability of the deep equilibrium model to iteratively solve for the Hamiltonian. Ablation studies of DEQHNet further elucidate the network's effectiveness, offering insights into the potential of DEQ-integrated networks for Hamiltonian learning.
Authors: Jiaxin Gao, Qinglong Cao, Yuntian Chen, Dongxiao Zhang
Abstract: Photovoltaic (PV) power forecasting plays a crucial role in optimizing the operation and planning of PV systems, thereby enabling efficient energy management and grid integration. However, un certainties caused by fluctuating weather conditions and complex interactions between different variables pose significant challenges to accurate PV power forecasting. In this study, we propose PV-Client (Cross-variable Linear Integrated ENhanced Transformer for Photovoltaic power forecasting) to address these challenges and enhance PV power forecasting accuracy. PV-Client employs an ENhanced Transformer module to capture complex interactions of various features in PV systems, and utilizes a linear module to learn trend information in PV power. Diverging from conventional time series-based Transformer models that use cross-time Attention to learn dependencies between different time steps, the Enhanced Transformer module integrates cross-variable Attention to capture dependencies between PV power and weather factors. Furthermore, PV-Client streamlines the embedding and position encoding layers by replacing the Decoder module with a projection layer. Experimental results on three real-world PV power datasets affirm PV-Client's state-of-the-art (SOTA) performance in PV power forecasting. Specifically, PV-Client surpasses the second-best model GRU by 5.3% in MSE metrics and 0.9% in accuracy metrics at the Jingang Station. Similarly, PV-Client outperforms the second-best model SVR by 10.1% in MSE metrics and 0.2% in accuracy metrics at the Xinqingnian Station, and PV-Client exhibits superior performance compared to the second-best model SVR with enhancements of 3.4% in MSE metrics and 0.9% in accuracy metrics at the Hongxing Station.
Authors: Filippo Lazzati, Mirco Mutti, Alberto Maria Metelli
Abstract: In online Inverse Reinforcement Learning (IRL), the learner can collect samples about the dynamics of the environment to improve its estimate of the reward function. Since IRL suffers from identifiability issues, many theoretical works on online IRL focus on estimating the entire set of rewards that explain the demonstrations, named the feasible reward set. However, none of the algorithms available in the literature can scale to problems with large state spaces. In this paper, we focus on the online IRL problem in Linear Markov Decision Processes (MDPs). We show that the structure offered by Linear MDPs is not sufficient for efficiently estimating the feasible set when the state space is large. As a consequence, we introduce the novel framework of rewards compatibility, which generalizes the notion of feasible set, and we develop CATY-IRL, a sample efficient algorithm whose complexity is independent of the cardinality of the state space in Linear MDPs. When restricted to the tabular setting, we demonstrate that CATY-IRL is minimax optimal up to logarithmic factors. As a by-product, we show that Reward-Free Exploration (RFE) enjoys the same worst-case rate, improving over the state-of-the-art lower bound. Finally, we devise a unifying framework for IRL and RFE that may be of independent interest.
Authors: Ivica Kopriva, Damir Sersic
Abstract: Subspace clustering (SC) algorithms utilize the union of subspaces model to cluster data points according to the subspaces from which they are drawn. To better address separability of subspaces and robustness to noise we propose a wavelet packet (WP) based transform domain subspace clustering. Depending on the number of resolution levels, WP yields several representations instantiated in terms of subbands. The first approach combines original and subband data into one complementary multi-view representation. Afterward, we formulate joint representation learning as a low-rank MERA tensor network approximation problem. That is motivated by the strong representation power of the MERA network to capture complex intra/inter-view dependencies in corresponding self-representation tensor. In the second approach, we use a self-stopping computationally efficient method to select the subband with the smallest clustering error on the validation set. When existing SC algorithms are applied to the chosen subband, their performance is expected to improve. Consequently, both approaches enable the re-use of SC algorithms developed so far. Improved clustering performance is due to the dual nature of subbands as representations and filters, which is essential for noise suppression. We exemplify the proposed WP domain approach to SC on the MERA tensor network and eight other well-known linear SC algorithms using six well-known image datasets representing faces, digits, and objects. Although WP domain-based SC is a linear method, it achieved clustering performance comparable with some best deep SC algorithms and outperformed many other deep SC algorithms by a significant margin. That is in particular case for the WP MERA SC algorithm. On the COIL100 dataset, it achieves an accuracy of 87.45% and outperforms the best deep SC competitor in the amount of 14.75%.
Authors: Yu-Hsueh Fang, Chia-Yen Lee
Abstract: In the field of machine learning, regression problems are pivotal due to their ability to predict continuous outcomes. Traditional error metrics like mean squared error, mean absolute error, and coefficient of determination measure model accuracy. The model accuracy is the consequence of the selected model and the features, which blurs the analysis of contribution. Predictability, in the other hand, focus on the predictable level of a target variable given a set of features. This study introduces conditional entropy estimators to assess predictability in regression problems, bridging this gap. We enhance and develop reliable conditional entropy estimators, particularly the KNIFE-P estimator and LMC-P estimator, which offer under- and over-estimation, providing a practical framework for predictability analysis. Extensive experiments on synthesized and real-world datasets demonstrate the robustness and utility of these estimators. Additionally, we extend the analysis to the coefficient of determination \(R^2 \), enhancing the interpretability of predictability. The results highlight the effectiveness of KNIFE-P and LMC-P in capturing the achievable performance and limitations of feature sets, providing valuable tools in the development of regression models. These indicators offer a robust framework for assessing the predictability for regression problems.
Authors: Duanyu Li, Huijun Wu, Min Xie, Xugang Wu, Zhenwei Wu, Wenzhe Zhang
Abstract: Graph neural network (GNN) models play a pivotal role in numerous tasks involving graph-related data analysis. Despite their efficacy, similar to other deep learning models, GNNs are susceptible to adversarial attacks. Even minor perturbations in graph data can induce substantial alterations in model predictions. While existing research has explored various adversarial defense techniques for GNNs, the challenge of defending against adversarial attacks on real-world scale graph data remains largely unresolved. On one hand, methods reliant on graph purification and preprocessing tend to excessively emphasize local graph information, leading to sub-optimal defensive outcomes. On the other hand, approaches rooted in graph structure learning entail significant time overheads, rendering them impractical for large-scale graphs. In this paper, we propose a new defense method named Talos, which enhances the global, rather than local, homophily of graphs as a defense. Experiments show that the proposed approach notably outperforms state-of-the-art defense approaches, while imposing little computational overhead.
Authors: Nikola Milosevic, Gesine M\"uller, Jan Huisken, Nico Scherf
Abstract: In this work, we introduce the concept of Active Representation Learning, a novel class of problems that intertwines exploration and representation learning within partially observable environments. We extend ideas from Active Simultaneous Localization and Mapping (active SLAM), and translate them to scientific discovery problems, exemplified by adaptive microscopy. We explore the need for a framework that derives exploration skills from representations that are in some sense actionable, aiming to enhance the efficiency and effectiveness of data collection and model building in the natural sciences.
Authors: Yongan Zhang, Junfeng Zhao, Jian Li, Xuanran Wang, Youzhuang Sun, Yuntian Chen, Dongxiao Zhang
Abstract: The prediction of formation resistivity plays a crucial role in the evaluation of oil and gas reservoirs, identification and assessment of geothermal energy resources, groundwater detection and monitoring, and carbon capture and storage. However, traditional well logging techniques fail to measure accurate resistivity in cased boreholes, and the transient electromagnetic method for cased borehole resistivity logging encounters challenges of high-frequency disaster (the problem of inadequate learning by neural networks in high-frequency features) and noise interference, badly affecting accuracy. To address these challenges, frequency-aware framework and temporal anti-noise block are proposed to build frequency aware LSTM (FAL). The frequency-aware framework implements a dual-stream structure through wavelet transformation, allowing the neural network to simultaneously handle high-frequency and low-frequency flows of time-series data, thus avoiding high-frequency disaster. The temporal anti-noise block integrates multiple attention mechanisms and soft-threshold attention mechanisms, enabling the model to better distinguish noise from redundant features. Ablation experiments demonstrate that the frequency-aware framework and temporal anti-noise block contribute significantly to performance improvement. FAL achieves a 24.3% improvement in R2 over LSTM, reaching the highest value of 0.91 among all models. In robustness experiments, the impact of noise on FAL is approximately 1/8 of the baseline, confirming the noise resistance of FAL. The proposed FAL effectively reduces noise interference in predicting formation resistivity from cased transient electromagnetic well logging curves, better learns high-frequency features, and thereby enhances the prediction accuracy and noise resistance of the neural network model.
Authors: Stefan Gerd Fritsch, Cennet Oguz, Vitor Fortes Rey, Lala Ray, Maximilian Kiefer-Emmanouilidis, Paul Lukowicz
Abstract: Human Activity Recognition is a longstanding problem in AI with applications in a broad range of areas: from healthcare, sports and fitness, security, and human computer interaction to robotics. The performance of HAR in real-world settings is strongly dependent on the type and quality of the input signal that can be acquired. Given an unobstructed, high-quality camera view of a scene, computer vision systems, in particular in conjunction with foundational models (e.g., CLIP), can today fairly reliably distinguish complex activities. On the other hand, recognition using modalities such as wearable sensors (which are often more broadly available, e.g, in mobile phones and smartwatches) is a more difficult problem, as the signals often contain less information and labeled training data is more difficult to acquire. In this work, we show how we can improve HAR performance across different modalities using multimodal contrastive pretraining. Our approach MuJo (Multimodal Joint Feature Space Learning), learns a multimodal joint feature space with video, language, pose, and IMU sensor data. The proposed approach combines contrastive and multitask learning methods and analyzes different multitasking strategies for learning a compact shared representation. A large dataset with parallel video, language, pose, and sensor data points is also introduced to support the research, along with an analysis of the robustness of the multimodal joint space for modal-incomplete and low-resource data. On the MM-Fit dataset, our model achieves an impressive Macro F1-Score of up to 0.992 with only 2% of the train data and 0.999 when using all available training data for classification tasks. Moreover, in the scenario where the MM-Fit dataset is unseen, we demonstrate a generalization performance of up to 0.638.
Authors: Shojiro Yamabe, Kazuto Fukuchi, Ryoma Senda, Jun Sakuma
Abstract: This study considers the attack on reinforcement learning agents where the adversary aims to control the victim's behavior as specified by the adversary by adding adversarial modifications to the victim's state observation. While some attack methods reported success in manipulating the victim agent's behavior, these methods often rely on environment-specific heuristics. In addition, all existing attack methods require white-box access to the victim's policy. In this study, we propose a novel method for manipulating the victim agent in the black-box (i.e., the adversary is allowed to observe the victim's state and action only) and no-box (i.e., the adversary is allowed to observe the victim's state only) setting without requiring environment-specific heuristics. Our attack method is formulated as a bi-level optimization problem that is reduced to a distribution matching problem and can be solved by an existing imitation learning algorithm in the black-box and no-box settings. Empirical evaluations on several reinforcement learning benchmarks show that our proposed method has superior attack performance to baselines.
Authors: Lokesh Nagalapatti, Pranava Singhal, Avishek Ghosh, Sunita Sarawagi
Abstract: Given a dataset of individuals each described by a covariate vector, a treatment, and an observed outcome on the treatment, the goal of the individual treatment effect (ITE) estimation task is to predict outcome changes resulting from a change in treatment. A fundamental challenge is that in the observational data, a covariate's outcome is observed only under one treatment, whereas we need to infer the difference in outcomes under two different treatments. Several existing approaches address this issue through training with inferred pseudo-outcomes, but their success relies on the quality of these pseudo-outcomes. We propose PairNet, a novel ITE estimation training strategy that minimizes losses over pairs of examples based on their factual observed outcomes. Theoretical analysis for binary treatments reveals that PairNet is a consistent estimator of ITE risk, and achieves smaller generalization error than baseline models. Empirical comparison with thirteen existing methods across eight benchmarks, covering both discrete and continuous treatments, shows that PairNet achieves significantly lower ITE error compared to the baselines. Also, it is model-agnostic and easy to implement.
Authors: Jiaming Zhao, Wenbo Qiao, Peng Zhang, Hui Gao
Abstract: Implicit neural representations have emerged as a powerful paradigm to represent signals such as images and sounds. This approach aims to utilize neural networks to parameterize the implicit function of the signal. However, when representing implicit functions, traditional neural networks such as ReLU-based multilayer perceptrons face challenges in accurately modeling high-frequency components of signals. Recent research has begun to explore the use of Fourier Neural Networks (FNNs) to overcome this limitation. In this paper, we propose Quantum Implicit Representation Network (QIREN), a novel quantum generalization of FNNs. Furthermore, through theoretical analysis, we demonstrate that QIREN possesses a quantum advantage over classical FNNs. Lastly, we conducted experiments in signal representation, image superresolution, and image generation tasks to show the superior performance of QIREN compared to state-of-the-art (SOTA) models. Our work not only incorporates quantum advantages into implicit neural representations but also uncovers a promising application direction for Quantum Neural Networks.
Authors: Minghao Yang, Linlin Gao, Pengyuan Li, Wenbo Li, Yihong Dong, Zhiying Cui
Abstract: Current structured pruning methods often result in considerable accuracy drops due to abrupt network changes and loss of information from pruned structures. To address these issues, we introduce the Decay Pruning Method (DPM), a novel smooth pruning approach with a self-rectifying mechanism. DPM consists of two key components: (i) Smooth Pruning: It converts conventional single-step pruning into multi-step smooth pruning, gradually reducing redundant structures to zero over N steps with ongoing optimization. (ii) Self-Rectifying: This procedure further enhances the aforementioned process by rectifying sub-optimal pruning based on gradient information. Our approach demonstrates strong generalizability and can be easily integrated with various existing pruning methods. We validate the effectiveness of DPM by integrating it with three popular pruning methods: OTOv2, Depgraph, and Gate Decorator. Experimental results show consistent improvements in performance compared to the original pruning methods, along with further reductions of FLOPs in most scenarios.
Authors: Jiaheng Wei, Yanjun Zhang, Leo Yu Zhang, Ming Ding, Chao Chen, Kok-Leong Ong, Jun Zhang, Yang Xiang
Abstract: Deep Learning (DL) powered by Deep Neural Networks (DNNs) has revolutionized various domains, yet understanding the intricacies of DNN decision-making and learning processes remains a significant challenge. Recent investigations have uncovered an interesting memorization phenomenon in which DNNs tend to memorize specific details from examples rather than learning general patterns, affecting model generalization, security, and privacy. This raises critical questions about the nature of generalization in DNNs and their susceptibility to security breaches. In this survey, we present a systematic framework to organize memorization definitions based on the generalization and security/privacy domains and summarize memorization evaluation methods at both the example and model levels. Through a comprehensive literature review, we explore DNN memorization behaviors and their impacts on security and privacy. We also introduce privacy vulnerabilities caused by memorization and the phenomenon of forgetting and explore its connection with memorization. Furthermore, we spotlight various applications leveraging memorization and forgetting mechanisms, including noisy label learning, privacy preservation, and model enhancement. This survey offers the first-in-kind understanding of memorization in DNNs, providing insights into its challenges and opportunities for enhancing AI development while addressing critical ethical concerns.
Authors: Dimitrios Samakovlis, Stefano Albini, Rub\'en Rodr\'iguez \'Alvarez, Denisa-Andreea Constantinescu, Pasquale Davide Schiavone, Miguel Pe\'on Quir\'os, David Atienza
Abstract: The design of low-power wearables for the biomedical domain has received a lot of attention in recent decades, as technological advances in chip manufacturing have allowed real-time monitoring of patients using low-complexity ML within the mW range. Despite advances in application and hardware design research, the domain lacks a systematic approach to hardware evaluation. In this work, we propose BiomedBench, a new benchmark suite composed of complete end-to-end TinyML biomedical applications for real-time monitoring of patients using wearable devices. Each application presents different requirements during typical signal acquisition and processing phases, including varying computational workloads and relations between active and idle times. Furthermore, our evaluation of five state-of-the-art low-power platforms in terms of energy efficiency shows that modern platforms cannot effectively target all types of biomedical applications. BiomedBench will be released as an open-source suite to enable future improvements in the entire domain of bioengineering systems and TinyML application design.
Authors: Bahareh Tasdighi, Nicklas Werge, Yi-Shan Wu, Melih Kandemir
Abstract: Off-policy actor-critic algorithms have shown promise in deep reinforcement learning for continuous control tasks. Their success largely stems from leveraging pessimistic state-action value function updates, which effectively address function approximation errors and improve performance. However, such pessimism can lead to under-exploration, constraining the agent's ability to explore/refine its policies. Conversely, optimism can counteract under-exploration, but it also carries the risk of excessive risk-taking and poor convergence if not properly balanced. Based on these insights, we introduce Utility Soft Actor-Critic (USAC), a novel framework within the actor-critic paradigm that enables independent control over the degree of pessimism/optimism for both the actor and the critic via interpretable parameters. USAC adapts its exploration strategy based on the uncertainty of critics through a utility function that allows us to balance between pessimism and optimism separately. By going beyond binary choices of optimism and pessimism, USAC represents a significant step towards achieving balance within off-policy actor-critic algorithms. Our experiments across various continuous control problems show that the degree of pessimism or optimism depends on the nature of the task. Furthermore, we demonstrate that USAC can outperform state-of-the-art algorithms for appropriately configured pessimism/optimism parameters.
Authors: Yaozhong Gan, Renye Yan, Xiaoyang Tan, Zhe Wu, Junliang Xing
Abstract: Proximal Policy Optimization (PPO) is a popular model-free reinforcement learning algorithm, esteemed for its simplicity and efficacy. However, due to its inherent on-policy nature, its proficiency in harnessing data from disparate policies is constrained. This paper introduces a novel off-policy extension to the original PPO method, christened Transductive Off-policy PPO (ToPPO). Herein, we provide theoretical justification for incorporating off-policy data in PPO training and prudent guidelines for its safe application. Our contribution includes a novel formulation of the policy improvement lower bound for prospective policies derived from off-policy data, accompanied by a computationally efficient mechanism to optimize this bound, underpinned by assurances of monotonic improvement. Comprehensive experimental results across six representative tasks underscore ToPPO's promising performance.
Authors: Yang Yang, Chao Yang, Boyang Li, Yinghao Fu, Shuang Li
Abstract: Our goal is to $\textit{efficiently}$ discover a compact set of temporal logic rules to explain irregular events of interest. We introduce a neural-symbolic rule induction framework within the temporal point process model. The negative log-likelihood is the loss that guides the learning, where the explanatory logic rules and their weights are learned end-to-end in a $\textit{differentiable}$ way. Specifically, predicates and logic rules are represented as $\textit{vector embeddings}$, where the predicate embeddings are fixed and the rule embeddings are trained via gradient descent to obtain the most appropriate compositional representations of the predicate embeddings. To make the rule learning process more efficient and flexible, we adopt a $\textit{sequential covering algorithm}$, which progressively adds rules to the model and removes the event sequences that have been explained until all event sequences have been covered. All the found rules will be fed back to the models for a final rule embedding and weight refinement. Our approach showcases notable efficiency and accuracy across synthetic and real datasets, surpassing state-of-the-art baselines by a wide margin in terms of efficiency.
Authors: Jan Hagnberger, Marimuthu Kalimuthu, Daniel Musekamp, Mathias Niepert
Abstract: Transformer models are increasingly used for solving Partial Differential Equations (PDEs). Several adaptations have been proposed, all of which suffer from the typical problems of Transformers, such as quadratic memory and time complexity. Furthermore, all prevalent architectures for PDE solving lack at least one of several desirable properties of an ideal surrogate model, such as (i) generalization to PDE parameters not seen during training, (ii) spatial and temporal zero-shot super-resolution, (iii) continuous temporal extrapolation, (iv) support for 1D, 2D, and 3D PDEs, and (v) efficient inference for longer temporal rollouts. To address these limitations, we propose Vectorized Conditional Neural Fields (VCNeFs), which represent the solution of time-dependent PDEs as neural fields. Contrary to prior methods, however, VCNeFs compute, for a set of multiple spatio-temporal query points, their solutions in parallel and model their dependencies through attention mechanisms. Moreover, VCNeF can condition the neural field on both the initial conditions and the parameters of the PDEs. An extensive set of experiments demonstrates that VCNeFs are competitive with and often outperform existing ML-based surrogate models.
Authors: Birgit K\"uhbacher, Fernando Iglesias-Suarez, Niki Kilbertus, Veronika Eyring
Abstract: Climate models play a critical role in understanding and projecting climate change. Due to their complexity, their horizontal resolution of ~40-100 km remains too coarse to resolve processes such as clouds and convection, which need to be approximated via parameterizations. These parameterizations are a major source of systematic errors and large uncertainties in climate projections. Deep learning (DL)-based parameterizations, trained on computationally expensive, short high-resolution simulations, have shown great promise for improving climate models in that regard. However, their lack of interpretability and tendency to learn spurious non-physical correlations result in reduced trust in the climate simulation. We propose an efficient supervised learning framework for DL-based parameterizations that leads to physically consistent models with improved interpretability and negligible computational overhead compared to standard supervised training. First, key features determining the target physical processes are uncovered. Subsequently, the neural network is fine-tuned using only those relevant features. We show empirically that our method robustly identifies a small subset of the inputs as actual physical drivers, therefore, removing spurious non-physical relationships. This results in by design physically consistent and interpretable neural networks while maintaining the predictive performance of standard black-box DL-based parameterizations. Our framework represents a crucial step in addressing a major challenge in data-driven climate model parameterizations by respecting the underlying physical processes, and may also benefit physically consistent deep learning in other research fields.
Authors: Tian Wang, Chuang Wang
Abstract: Neural operators effectively solve PDE problems from data without knowing the explicit equations, which learn the map from the input sequences of observed samples to the predicted values. Most existed works build the model in the original geometric space, leading to high computational costs when the number of sample points is large. We present the Latent Neural Operator (LNO) solving PDEs in the latent space. In particular, we first propose Physics-Cross-Attention (PhCA) transforming representation from the geometric space to the latent space, then learn the operator in the latent space, and finally recover the real-world geometric space via the inverse PhCA map. Our model retains flexibility that can decode values in any position not limited to locations defined in training set, and therefore can naturally perform interpolation and extrapolation tasks particularly useful for inverse problems. Moreover, the proposed LNO improves in both prediction accuracy and computational efficiency. Experiments show that LNO reduces the GPU memory by 50%, speeds up training 1.8 times, and reaches state-of-the-art accuracy on four out of six benchmarks for forward problems and a benchmark for inverse problem.
Authors: Omar G. Younis, Luca Corinzia, Ioannis N. Athanasiadis, Andreas Krause, Joachim M. Buhmann, Matteo Turchetta
Abstract: Crop breeding is crucial in improving agricultural productivity while potentially decreasing land usage, greenhouse gas emissions, and water consumption. However, breeding programs are challenging due to long turnover times, high-dimensional decision spaces, long-term objectives, and the need to adapt to rapid climate change. This paper introduces the use of Reinforcement Learning (RL) to optimize simulated crop breeding programs. RL agents are trained to make optimal crop selection and cross-breeding decisions based on genetic information. To benchmark RL-based breeding algorithms, we introduce a suite of Gym environments. The study demonstrates the superiority of RL techniques over standard practices in terms of genetic gain when simulated in silico using real-world genomic maize data.
Authors: Dake Bu, Wei Huang, Taiji Suzuki, Ji Cheng, Qingfu Zhang, Zhiqiang Xu, Hau-San Wong
Abstract: Neural Network-based active learning (NAL) is a cost-effective data selection technique that utilizes neural networks to select and train on a small subset of samples. While existing work successfully develops various effective or theory-justified NAL algorithms, the understanding of the two commonly used query criteria of NAL: uncertainty-based and diversity-based, remains in its infancy. In this work, we try to move one step forward by offering a unified explanation for the success of both query criteria-based NAL from a feature learning view. Specifically, we consider a feature-noise data model comprising easy-to-learn or hard-to-learn features disrupted by noise, and conduct analysis over 2-layer NN-based NALs in the pool-based scenario. We provably show that both uncertainty-based and diversity-based NAL are inherently amenable to one and the same principle, i.e., striving to prioritize samples that contain yet-to-be-learned features. We further prove that this shared principle is the key to their success-achieve small test error within a small labeled set. Contrastingly, the strategy-free passive learning exhibits a large test error due to the inadequate learning of yet-to-be-learned features, necessitating resort to a significantly larger label complexity for a sufficient test error reduction. Experimental results validate our findings.
Authors: Lars Veefkind, Gabriele Cesa
Abstract: Steerable convolutional neural networks (SCNNs) enhance task performance by modelling geometric symmetries through equivariance constraints on weights. Yet, unknown or varying symmetries can lead to overconstrained weights and decreased performance. To address this, this paper introduces a probabilistic method to learn the degree of equivariance in SCNNs. We parameterise the degree of equivariance as a likelihood distribution over the transformation group using Fourier coefficients, offering the option to model layer-wise and shared equivariance. These likelihood distributions are regularised to ensure an interpretable degree of equivariance across the network. Advantages include the applicability to many types of equivariant networks through the flexible framework of SCNNs and the ability to learn equivariance with respect to any subgroup of any compact group without requiring additional layers. Our experiments reveal competitive performance on datasets with mixed symmetries, with learnt likelihood distributions that are representative of the underlying degree of equivariance.
Authors: Michael T. Pearce, Thomas Dooms, Alice Rigg
Abstract: Gated Linear Units (GLUs) have become a common building block in modern foundation models. Bilinear layers drop the non-linearity in the "gate" but still have comparable performance to other GLUs. An attractive quality of bilinear layers is that they can be fully expressed in terms of a third-order tensor and linear operations. Leveraging this, we develop a method to decompose the bilinear tensor into a set of sparsely interacting eigenvectors that show promising interpretability properties in preliminary experiments for shallow image classifiers (MNIST) and small language models (Tiny Stories). Since the decomposition is fully equivalent to the model's original computations, bilinear layers may be an interpretability-friendly architecture that helps connect features to the model weights. Application of our method may not be limited to pretrained bilinear models since we find that language models such as TinyLlama-1.1B can be finetuned into bilinear variants.
Authors: Florian Karl, Lukas Malte Kemeter, Gabriel Dax, Paulina Sierak
Abstract: Publications proposing novel machine learning methods are often primarily rated by exhibited predictive performance on selected problems. In this position paper we argue that predictive performance alone is not a good indicator for the worth of a publication. Using it as such even fosters problems like inefficiencies of the machine learning research community as a whole and setting wrong incentives for researchers. We therefore put out a call for the publication of "negative" results, which can help alleviate some of these problems and improve the scientific output of the machine learning research community. To substantiate our position, we present the advantages of publishing negative results and provide concrete measures for the community to move towards a paradigm where their publication is normalized.
Authors: Kun Song, Zhiquan Tan, Bochao Zou, Huimin Ma, Weiran Huang
Abstract: In this paper, we use matrix information theory as an analytical tool to analyze the dynamics of the information interplay between data representations and classification head vectors in the supervised learning process. Specifically, inspired by the theory of Neural Collapse, we introduce matrix mutual information ratio (MIR) and matrix entropy difference ratio (HDR) to assess the interactions of data representation and class classification heads in supervised learning, and we determine the theoretical optimal values for MIR and HDR when Neural Collapse happens. Our experiments show that MIR and HDR can effectively explain many phenomena occurring in neural networks, for example, the standard supervised training dynamics, linear mode connectivity, and the performance of label smoothing and pruning. Additionally, we use MIR and HDR to gain insights into the dynamics of grokking, which is an intriguing phenomenon observed in supervised training, where the model demonstrates generalization capabilities long after it has learned to fit the training data. Furthermore, we introduce MIR and HDR as loss terms in supervised and semi-supervised learning to optimize the information interactions among samples and classification heads. The empirical results provide evidence of the method's effectiveness, demonstrating that the utilization of MIR and HDR not only aids in comprehending the dynamics throughout the training process but can also enhances the training procedure itself.
Authors: Wei Shao, Yufan Kang, Ziyan Peng, Xiao Xiao, Lei Wang, Yuhui Yang, Flora D Salim
Abstract: Accuracy and timeliness are indeed often conflicting goals in prediction tasks. Premature predictions may yield a higher rate of false alarms, whereas delaying predictions to gather more information can render them too late to be useful. In applications such as wildfires, crimes, and traffic jams, timely predictions are vital for safeguarding human life and property. Consequently, finding a balance between accuracy and timeliness is crucial. In this paper, we propose a spatio-temporal early prediction model based on Multi-Objective reinforcement learning that can either implement an optimal policy given a preference or infer the preference based on a small number of samples. The model addresses two primary challenges: 1) enhancing the accuracy of early predictions and 2) providing the optimal policy for determining the most suitable prediction time for each area. Our method demonstrates superior performance on three large-scale real-world datasets, surpassing existing methods in early spatio-temporal prediction tasks.
Authors: Haicang Zhou, Weiming Huang, Yile Chen, Tiantian He, Gao Cong, Yew-Soon Ong
Abstract: Road network representation learning aims to learn compressed and effective vectorized representations for road segments that are applicable to numerous tasks. In this paper, we identify the limitations of existing methods, particularly their overemphasis on the distance effect as outlined in the First Law of Geography. In response, we propose to endow road network representation with the principles of the recent Third Law of Geography. To this end, we propose a novel graph contrastive learning framework that employs geographic configuration-aware graph augmentation and spectral negative sampling, ensuring that road segments with similar geographic configurations yield similar representations, and vice versa, aligning with the principles stated in the Third Law. The framework further fuses the Third Law with the First Law through a dual contrastive learning objective to effectively balance the implications of both laws. We evaluate our framework on two real-world datasets across three downstream tasks. The results show that the integration of the Third Law significantly improves the performance of road segment representations in downstream tasks.
Authors: Clemens Damke, Eyke H\"ullermeier
Abstract: We address the problem of uncertainty quantification for graph-structured data, or, more specifically, the problem to quantify the predictive uncertainty in (semi-supervised) node classification. Key questions in this regard concern the distinction between two different types of uncertainty, aleatoric and epistemic, and how to support uncertainty quantification by leveraging the structural information provided by the graph topology. Challenging assumptions and postulates of state-of-the-art methods, we propose a novel approach that represents (epistemic) uncertainty in terms of mixtures of Dirichlet distributions and refers to the established principle of linear opinion pooling for propagating information between neighbored nodes in the graph. The effectiveness of this approach is demonstrated in a series of experiments on a variety of graph-structured datasets.
Authors: Dominik Fuchsgruber, Tom Wollschl\"ager, Stephan G\"unnemann
Abstract: In domains with interdependent data, such as graphs, quantifying the epistemic uncertainty of a Graph Neural Network (GNN) is challenging as uncertainty can arise at different structural scales. Existing techniques neglect this issue or only distinguish between structure-aware and structure-agnostic uncertainty without combining them into a single measure. We propose GEBM, an energy-based model (EBM) that provides high-quality uncertainty estimates by aggregating energy at different structural levels that naturally arise from graph diffusion. In contrast to logit-based EBMs, we provably induce an integrable density in the data space by regularizing the energy function. We introduce an evidential interpretation of our EBM that significantly improves the predictive robustness of the GNN. Our framework is a simple and effective post hoc method applicable to any pre-trained GNN that is sensitive to various distribution shifts. It consistently achieves the best separation of in-distribution and out-of-distribution data on 6 out of 7 anomaly types while having the best average rank over shifts on \emph{all} datasets.
Authors: Cong Liu, David Ruhe, Patrick Forr\'e
Abstract: Most current deep learning models equivariant to $O(n)$ or $SO(n)$ either consider mostly scalar information such as distances and angles or have a very high computational complexity. In this work, we test a few novel message passing graph neural networks (GNNs) based on Clifford multivectors, structured similarly to other prevalent equivariant models in geometric deep learning. Our approach leverages efficient invariant scalar features while simultaneously performing expressive learning on multivector representations, particularly through the use of the equivariant geometric product operator. By integrating these elements, our methods outperform established efficient baseline models on an N-Body simulation task and protein denoising task while maintaining a high efficiency. In particular, we push the state-of-the-art error on the N-body dataset to 0.0035 (averaged over 3 runs); an 8% improvement over recent methods. Our implementation is available on Github.
Authors: Azadeh Alavi, Sanduni Jayasinghe
Abstract: Realtime finite element modeling of bridges assists modern structural health monitoring systems by providing comprehensive insights into structural integrity. This capability is essential for ensuring the safe operation of bridges and preventing sudden catastrophic failures. However, FEM computational cost and the need for realtime analysis pose significant challenges. Additionally, the input data is a 7 dimensional vector, while the output is a 1017 dimensional vector, making accurate and efficient analysis particularly difficult. In this study, we propose a novel hybrid quantum classical Multilayer Perceptron pipeline leveraging Symmetric Positive Definite matrices and Riemannian manifolds for effective data representation. To maintain the integrity of the qubit structure, we utilize SPD matrices, ensuring data representation is well aligned with the quantum computational framework. Additionally, the method leverages polynomial feature expansion to capture nonlinear relationships within the data. The proposed pipeline combines classical fully connected neural network layers with quantum circuit layers to enhance model performance and efficiency. Our experiments focused on various configurations of such hybrid models to identify the optimal structure for accurate and efficient realtime analysis. The best performing model achieved a Mean Squared Error of 0.00031, significantly outperforming traditional methods.
Authors: Sergio Calo, Anders Jonsson, Gergely Neu, Ludovic Schwartz, Javier Segovia
Abstract: We propose a new framework for formulating optimal transport distances between Markov chains. Previously known formulations studied couplings between the entire joint distribution induced by the chains, and derived solutions via a reduction to dynamic programming (DP) in an appropriately defined Markov decision process. This formulation has, however, not led to particularly efficient algorithms so far, since computing the associated DP operators requires fully solving a static optimal transport problem, and these operators need to be applied numerous times during the overall optimization process. In this work, we develop an alternative perspective by considering couplings between a flattened version of the joint distributions that we call discounted occupancy couplings, and show that calculating optimal transport distances in the full space of joint distributions can be equivalently formulated as solving a linear program (LP) in this reduced space. This LP formulation allows us to port several algorithmic ideas from other areas of optimal transport theory. In particular, our formulation makes it possible to introduce an appropriate notion of entropy regularization into the optimization problem, which in turn enables us to directly calculate optimal transport distances via a Sinkhorn-like method we call Sinkhorn Value Iteration (SVI). We show both theoretically and empirically that this method converges quickly to an optimal coupling, essentially at the same computational cost of running vanilla Sinkhorn in each pair of states. Along the way, we point out that our optimal transport distance exactly matches the common notion of bisimulation metrics between Markov chains, and thus our results also apply to computing such metrics, and in fact our algorithm turns out to be significantly more efficient than the best known methods developed so far for this purpose.
Authors: Muthu Chidambaram, Rong Ge
Abstract: A machine learning model is calibrated if its predicted probability for an outcome matches the observed frequency for that outcome conditional on the model prediction. This property has become increasingly important as the impact of machine learning models has continued to spread to various domains. As a result, there are now a dizzying number of recent papers on measuring and improving the calibration of (specifically deep learning) models. In this work, we reassess the reporting of calibration metrics in the recent literature. We show that there exist trivial recalibration approaches that can appear seemingly state-of-the-art unless calibration and prediction metrics (i.e. test accuracy) are accompanied by additional generalization metrics such as negative log-likelihood. We then derive a calibration-based decomposition of Bregman divergences that can be used to both motivate a choice of calibration metric based on a generalization metric, and to detect trivial calibration. Finally, we apply these ideas to develop a new extension to reliability diagrams that can be used to jointly visualize calibration as well as the estimated generalization error of a model.
Authors: Yinting Wu (School of Mathematics and Statistics, and Key Lab NAA--MOE, Central China Normal University), Pai Peng (School of Mathematics and Computer Science, Jianghan University), Bo Cai (Key Laboratory of Aerospace Information Security and Trusted Computing, Ministry of Education, and School of Cyber Science and Engineering, Wuhan University), Le Li (School of Mathematics and Statistics, and Key Lab NAA--MOE, Central China Normal University), .
Abstract: Adversarial training methods commonly generate independent initial perturbation for adversarial samples from a simple uniform distribution, and obtain the training batch for the classifier without selection. In this work, we propose a simple yet effective training framework called Batch-in-Batch (BB) to enhance models robustness. It involves specifically a joint construction of initial values that could simultaneously generates $m$ sets of perturbations from the original batch set to provide more diversity for adversarial samples; and also includes various sample selection strategies that enable the trained models to have smoother losses and avoid overconfident outputs. Through extensive experiments on three benchmark datasets (CIFAR-10, SVHN, CIFAR-100) with two networks (PreActResNet18 and WideResNet28-10) that are used in both the single-step (Noise-Fast Gradient Sign Method, N-FGSM) and multi-step (Projected Gradient Descent, PGD-10) adversarial training, we show that models trained within the BB framework consistently have higher adversarial accuracy across various adversarial settings, notably achieving over a 13% improvement on the SVHN dataset with an attack radius of 8/255 compared to the N-FGSM baseline model. Furthermore, experimental analysis of the efficiency of both the proposed initial perturbation method and sample selection strategies validates our insights. Finally, we show that our framework is cost-effective in terms of computational resources, even with a relatively large value of $m$.
Authors: Pierre Clavier, Emmanuel Rachelson, Erwan Le Pennec, Matthieu Geist
Abstract: Many classic Reinforcement Learning (RL) algorithms rely on a Bellman operator, which involves an expectation over the next states, leading to the concept of bootstrapping. To introduce a form of pessimism, we propose to replace this expectation with an expectile. In practice, this can be very simply done by replacing the $L_2$ loss with a more general expectile loss for the critic. Introducing pessimism in RL is desirable for various reasons, such as tackling the overestimation problem (for which classic solutions are double Q-learning or the twin-critic approach of TD3) or robust RL (where transitions are adversarial). We study empirically these two cases. For the overestimation problem, we show that the proposed approach, ExpectRL, provides better results than a classic twin-critic. On robust RL benchmarks, involving changes of the environment, we show that our approach is more robust than classic RL algorithms. We also introduce a variation of ExpectRL combined with domain randomization which is competitive with state-of-the-art robust RL agents. Eventually, we also extend \ExpectRL with a mechanism for choosing automatically the expectile value, that is the degree of pessimism
Authors: Abdullah Akg\"ul, Manuel Hau{\ss}mann, Melih Kandemir
Abstract: Current approaches to model-based offline Reinforcement Learning (RL) often incorporate uncertainty-based reward penalization to address the distributional shift problem. While these approaches have achieved some success, we argue that this penalization introduces excessive conservatism, potentially resulting in suboptimal policies through underestimation. We identify as an important cause of over-penalization the lack of a reliable uncertainty estimator capable of propagating uncertainties in the Bellman operator. The common approach to calculating the penalty term relies on sampling-based uncertainty estimation, resulting in high variance. To address this challenge, we propose a novel method termed Moment Matching Offline Model-Based Policy Optimization (MOMBO). MOMBO learns a Q-function using moment matching, which allows us to deterministically propagate uncertainties through the Q-function. We evaluate MOMBO's performance across various environments and demonstrate empirically that MOMBO is a more stable and sample-efficient approach.
Authors: Jiachen Hu, Qinghua Liu, Chi Jin
Abstract: Despite the remarkable success of Transformer-based architectures in various sequential modeling tasks, such as natural language processing, computer vision, and robotics, their ability to learn basic sequential models, like Hidden Markov Models (HMMs), is still unclear. This paper investigates the performance of Transformers in learning HMMs and their variants through extensive experimentation and compares them to Recurrent Neural Networks (RNNs). We show that Transformers consistently underperform RNNs in both training speed and testing accuracy across all tested HMM models. There are even challenging HMM instances where Transformers struggle to learn, while RNNs can successfully do so. Our experiments further reveal the relation between the depth of Transformers and the longest sequence length it can effectively learn, based on the types and the complexity of HMMs. To address the limitation of transformers in modeling HMMs, we demonstrate that a variant of the Chain-of-Thought (CoT), called $\textit{block CoT}$ in the training phase, can help transformers to reduce the evaluation error and to learn longer sequences at a cost of increasing the training time. Finally, we complement our empirical findings by theoretical results proving the expressiveness of transformers in approximating HMMs with logarithmic depth.
Authors: Tam Thuc Do, Parham Eftekhar, Seyed Alireza Hosseini, Gene Cheung, Philip Chou
Abstract: We build interpretable and lightweight transformer-like neural networks by unrolling iterative optimization algorithms that minimize graph smoothness priors -- the quadratic graph Laplacian regularizer (GLR) and the $\ell_1$-norm graph total variation (GTV) -- subject to an interpolation constraint. The crucial insight is that a normalized signal-dependent graph learning module amounts to a variant of the basic self-attention mechanism in conventional transformers. Unlike "black-box" transformers that require learning of large key, query and value matrices to compute scaled dot products as affinities and subsequent output embeddings, resulting in huge parameter sets, our unrolled networks employ shallow CNNs to learn low-dimensional features per node to establish pairwise Mahalanobis distances and construct sparse similarity graphs. At each layer, given a learned graph, the target interpolated signal is simply a low-pass filtered output derived from the minimization of an assumed graph smoothness prior, leading to a dramatic reduction in parameter count. Experiments for two image interpolation applications verify the restoration performance, parameter efficiency and robustness to covariate shift of our graph-based unrolled networks compared to conventional transformers.
Authors: Leo Gao, Tom Dupr\'e la Tour, Henk Tillman, Gabriel Goh, Rajan Troll, Alec Radford, Ilya Sutskever, Jan Leike, Jeffrey Wu
Abstract: Sparse autoencoders provide a promising unsupervised approach for extracting interpretable features from a language model by reconstructing activations from a sparse bottleneck layer. Since language models learn many concepts, autoencoders need to be very large to recover all relevant features. However, studying the properties of autoencoder scaling is difficult due to the need to balance reconstruction and sparsity objectives and the presence of dead latents. We propose using k-sparse autoencoders [Makhzani and Frey, 2013] to directly control sparsity, simplifying tuning and improving the reconstruction-sparsity frontier. Additionally, we find modifications that result in few dead latents, even at the largest scales we tried. Using these techniques, we find clean scaling laws with respect to autoencoder size and sparsity. We also introduce several new metrics for evaluating feature quality based on the recovery of hypothesized features, the explainability of activation patterns, and the sparsity of downstream effects. These metrics all generally improve with autoencoder size. To demonstrate the scalability of our approach, we train a 16 million latent autoencoder on GPT-4 activations for 40 billion tokens. We release training code and autoencoders for open-source models, as well as a visualizer.
Authors: Jan Martin\r{u}, Petr \v{S}im\'anek
Abstract: This study investigates the application of deep-learning diffusion models for the super-resolution of weather data, a novel approach aimed at enhancing the spatial resolution and detail of meteorological variables. Leveraging the capabilities of diffusion models, specifically the SR3 and ResDiff architectures, we present a methodology for transforming low-resolution weather data into high-resolution outputs. Our experiments, conducted using the WeatherBench dataset, focus on the super-resolution of the two-meter temperature variable, demonstrating the models' ability to generate detailed and accurate weather maps. The results indicate that the ResDiff model, further improved by incorporating physics-based modifications, significantly outperforms traditional SR3 methods in terms of Mean Squared Error (MSE), Structural Similarity Index (SSIM), and Peak Signal-to-Noise Ratio (PSNR). This research highlights the potential of diffusion models in meteorological applications, offering insights into their effectiveness, challenges, and prospects for future advancements in weather prediction and climate analysis.
Authors: Tim Salimans, Thomas Mensink, Jonathan Heek, Emiel Hoogeboom
Abstract: We present a new method for making diffusion models faster to sample. The method distills many-step diffusion models into few-step models by matching conditional expectations of the clean data given noisy data along the sampling trajectory. Our approach extends recently proposed one-step methods to the multi-step case, and provides a new perspective by interpreting these approaches in terms of moment matching. By using up to 8 sampling steps, we obtain distilled models that outperform not only their one-step versions but also their original many-step teacher models, obtaining new state-of-the-art results on the Imagenet dataset. We also show promising results on a large text-to-image model where we achieve fast generation of high resolution images directly in image space, without needing autoencoders or upsamplers.
Authors: Yifeng Wang, Weipeng Li, Thomas Pearce, Haohan Wang
Abstract: Correlating neuropathology with neuroimaging findings provides a multiscale view of pathologic changes in the human organ spanning the meso- to micro-scales, and is an emerging methodology expected to shed light on numerous disease states. To gain the most information from this multimodal, multiscale approach, it is desirable to identify precisely where a histologic tissue section was taken from within the organ in order to correlate with the tissue features in exactly the same organ region. Histology-to-organ registration poses an extra challenge, as any given histologic section can capture only a small portion of a human organ. Making use of the capabilities of state-of-the-art deep learning models, we unlock the potential to address and solve such intricate challenges. Therefore, we create the ATOM benchmark dataset, sourced from diverse institutions, with the primary objective of transforming this challenge into a machine learning problem and delivering outstanding outcomes that enlighten the biomedical community. The performance of our RegisMCAN model demonstrates the potential of deep learning to accurately predict where a subregion extracted from an organ image was obtained from within the overall 3D volume. The code and dataset can be found at: https://github.com/haizailache999/Image-Registration/tree/main
URLs: https://github.com/haizailache999/Image-Registration/tree/main
Authors: Can Yaras, Peng Wang, Laura Balzano, Qing Qu
Abstract: While overparameterization in machine learning models offers great benefits in terms of optimization and generalization, it also leads to increased computational requirements as model sizes grow. In this work, we show that by leveraging the inherent low-dimensional structures of data and compressible dynamics within the model parameters, we can reap the benefits of overparameterization without the computational burdens. In practice, we demonstrate the effectiveness of this approach for deep low-rank matrix completion as well as fine-tuning language models. Our approach is grounded in theoretical findings for deep overparameterized low-rank matrix recovery, where we show that the learning dynamics of each weight matrix are confined to an invariant low-dimensional subspace. Consequently, we can construct and train compact, highly compressed factorizations possessing the same benefits as their overparameterized counterparts. In the context of deep matrix completion, our technique substantially improves training efficiency while retaining the advantages of overparameterization. For language model fine-tuning, we propose a method called "Deep LoRA", which improves the existing low-rank adaptation (LoRA) technique, leading to reduced overfitting and a simplified hyperparameter setup, while maintaining comparable efficiency. We validate the effectiveness of Deep LoRA on natural language tasks, particularly when fine-tuning with limited data.
Authors: Xuanfei Ren, Tianyuan Jin, Pan Xu
Abstract: We introduce the E$^4$ algorithm for the batched linear bandit problem, incorporating an Explore-Estimate-Eliminate-Exploit framework. With a proper choice of exploration rate, we prove E$^4$ achieves the finite-time minimax optimal regret with only $O(\log\log T)$ batches, and the asymptotically optimal regret with only $3$ batches as $T\rightarrow\infty$, where $T$ is the time horizon. We further prove a lower bound on the batch complexity of linear contextual bandits showing that any asymptotically optimal algorithm must require at least $3$ batches in expectation as $T\rightarrow\infty$, which indicates E$^4$ achieves the asymptotic optimality in regret and batch complexity simultaneously. To the best of our knowledge, E$^4$ is the first algorithm for linear bandits that simultaneously achieves the minimax and asymptotic optimality in regret with the corresponding optimal batch complexities. In addition, we show that with another choice of exploration rate E$^4$ achieves an instance-dependent regret bound requiring at most $O(\log T)$ batches, and maintains the minimax optimality and asymptotic optimality. We conduct thorough experiments to evaluate our algorithm on randomly generated instances and the challenging \textit{End of Optimism} instances \citep{lattimore2017end} which were shown to be hard to learn for optimism based algorithms. Empirical results show that E$^4$ consistently outperforms baseline algorithms with respect to regret minimization, batch complexity, and computational efficiency.
Authors: Maiju Karjalainen, Esther Galbrun, Pauli Miettinen
Abstract: Redescription mining is a data analysis technique that has found applications in diverse fields. The most used redescription mining approaches involve two phases: finding matching pairs among data attributes and extending the pairs. This process is relatively efficient when the number of attributes remains limited and when the attributes are Boolean, but becomes almost intractable when the data consist of many numerical attributes. In this paper, we present new algorithms that perform the matching and extension orders of magnitude faster than the existing approaches. Our algorithms are based on locality-sensitive hashing with a tailored approach to handle the discretisation of numerical attributes as used in redescription mining.
Authors: Yihe Dong, Sercan Arik, Nathanael Yoder, Tomas Pfister
Abstract: Feature engineering has demonstrated substantial utility for many machine learning workflows, such as in the small data regime or when distribution shifts are severe. Thus automating this capability can relieve much manual effort and improve model performance. Towards this, we propose AutoMAN, or Automated Mask-based Feature Engineering, an automated feature engineering framework that achieves high accuracy, low latency, and can be extended to heterogeneous and time-varying data. AutoMAN is based on effectively exploring the candidate transforms space, without explicitly manifesting transformed features. This is achieved by learning feature importance masks, which can be extended to support other modalities such as time series. AutoMAN learns feature transform importance end-to-end, incorporating a dataset's task target directly into feature engineering, resulting in state-of-the-art performance with significantly lower latency compared to alternatives.
Authors: Alicja Ziarko, Albert Q. Jiang, Bartosz Piotrowski, Wenda Li, Mateja Jamnik, Piotr Mi{\l}o\'s
Abstract: Text embeddings are essential for many tasks, such as document retrieval, clustering, and semantic similarity assessment. In this paper, we study how to contrastively train text embedding models in a compute-optimal fashion, given a suite of pre-trained decoder-only language models. Our innovation is an algorithm that produces optimal configurations of model sizes, data quantities, and fine-tuning methods for text-embedding models at different computational budget levels. The resulting recipe, which we obtain through extensive experiments, can be used by practitioners to make informed design choices for their embedding models. Specifically, our findings suggest that full fine-tuning and low-rank adaptation fine-tuning produce optimal models at lower and higher computational budgets respectively.
Authors: Feilong Jiang, Xiaonan Hou, Min Xia
Abstract: As a promising framework for resolving partial differential equations (PDEs), physics-informed neural networks (PINNs) have received widespread attention from industrial and scientific fields. However, lack of expressive ability and initialization pathology issues are found to prevent the application of PINNs in complex PDEs. In this work, we propose Element-wise Multiplication Based Physics-informed Neural Networks (EM-PINNs) to resolve these issues. The element-wise multiplication operation is adopted to transform features into high-dimensional, non-linear spaces, which effectively enhance the expressive capability of PINNs. Benefiting from element-wise multiplication operation, EM-PINNs can eliminate the initialization pathologies of PINNs. The proposed structure is verified on various benchmarks. The results show that EM-PINNs have strong expressive ability.
Authors: Jiawei Ge, Yuanhao Wang, Wenzhe Li, Chi Jin
Abstract: Multiplayer games, when the number of players exceeds two, present unique challenges that fundamentally distinguish them from the extensively studied two-player zero-sum games. These challenges arise from the non-uniqueness of equilibria and the risk of agents performing highly suboptimally when adopting equilibrium strategies. While a line of recent works developed learning systems successfully achieving human-level or even superhuman performance in popular multiplayer games such as Mahjong, Poker, and Diplomacy, two critical questions remain unaddressed: (1) What is the correct solution concept that AI agents should find? and (2) What is the general algorithmic framework that provably solves all games within this class? This paper takes the first step towards solving these unique challenges of multiplayer games by provably addressing both questions in multiplayer symmetric normal-form games. We also demonstrate that many meta-algorithms developed in prior practical systems for multiplayer games can fail to achieve even the basic goal of obtaining agent's equal share of the total reward.
Authors: Adam Jelley, Yuhan Cao, Dave Bignell, Sam Devlin, Tabish Rashid
Abstract: Training agents to behave as desired in complex 3D environments from high-dimensional sensory information is challenging. Imitation learning from diverse human behavior provides a scalable approach for training an agent with a sensible behavioral prior, but such an agent may not perform the specific behaviors of interest when deployed. To address this issue, we draw an analogy between the undesirable behaviors of imitation learning agents and the unhelpful responses of unaligned large language models (LLMs). We then investigate how the procedure for aligning LLMs can be applied to aligning agents in a 3D environment from pixels. For our analysis, we utilize an academically illustrative part of a modern console game in which the human behavior distribution is multi-modal, but we want our agent to imitate a single mode of this behavior. We demonstrate that we can align our agent to consistently perform the desired mode, while providing insights and advice for successfully applying this approach to training agents. Project webpage at https://adamjelley.github.io/aligning-agents-like-llms .
URLs: https://adamjelley.github.io/aligning-agents-like-llms
Authors: Jingwu Tang, Gokul Swamy, Fei Fang, Zhiwei Steven Wu
Abstract: We study a multi-agent imitation learning (MAIL) problem where we take the perspective of a learner attempting to coordinate a group of agents based on demonstrations of an expert doing so. Most prior work in MAIL essentially reduces the problem to matching the behavior of the expert within the support of the demonstrations. While doing so is sufficient to drive the value gap between the learner and the expert to zero under the assumption that agents are non-strategic, it does not guarantee robustness to deviations by strategic agents. Intuitively, this is because strategic deviations can depend on a counterfactual quantity: the coordinator's recommendations outside of the state distribution their recommendations induce. In response, we initiate the study of an alternative objective for MAIL in Markov Games we term the regret gap that explicitly accounts for potential deviations by agents in the group. We first perform an in-depth exploration of the relationship between the value and regret gaps. First, we show that while the value gap can be efficiently minimized via a direct extension of single-agent IL algorithms, even value equivalence can lead to an arbitrarily large regret gap. This implies that achieving regret equivalence is harder than achieving value equivalence in MAIL. We then provide a pair of efficient reductions to no-regret online convex optimization that are capable of minimizing the regret gap (a) under a coverage assumption on the expert (MALICE) or (b) with access to a queryable expert (BLADES).
Authors: Tamer Ahmed Eltaras, Qutaibah Malluhi, Alessandro Savino, Stefano Di Carlo, Adnan Qayyum, Junaid Qadir
Abstract: In the effort to learn from extensive collections of distributed data, federated learning has emerged as a promising approach for preserving privacy by using a gradient-sharing mechanism instead of exchanging raw data. However, recent studies show that private training data can be leaked through many gradient attacks. While previous analytical-based attacks have successfully reconstructed input data from fully connected layers, their effectiveness diminishes when applied to convolutional layers. This paper introduces an advanced data leakage method to efficiently exploit convolutional layers' gradients. We present a surprising finding: even with non-fully invertible activation functions, such as ReLU, we can analytically reconstruct training samples from the gradients. To the best of our knowledge, this is the first analytical approach that successfully reconstructs convolutional layer inputs directly from the gradients, bypassing the need to reconstruct layers' outputs. Prior research has mainly concentrated on the weight constraints of convolution layers, overlooking the significance of gradient constraints. Our findings demonstrate that existing analytical methods used to estimate the risk of gradient attacks lack accuracy. In some layers, attacks can be launched with less than 5% of the reported constraints.
Authors: Larisa Markeeva, Sean McLeish, Borja Ibarz, Wilfried Bounsi, Olga Kozlova, Alex Vitvitskyi, Charles Blundell, Tom Goldstein, Avi Schwarzschild, Petar Veli\v{c}kovi\'c
Abstract: Eliciting reasoning capabilities from language models (LMs) is a critical direction on the path towards building intelligent systems. Most recent studies dedicated to reasoning focus on out-of-distribution performance on procedurally-generated synthetic benchmarks, bespoke-built to evaluate specific skills only. This trend makes results hard to transfer across publications, slowing down progress. Three years ago, a similar issue was identified and rectified in the field of neural algorithmic reasoning, with the advent of the CLRS benchmark. CLRS is a dataset generator comprising graph execution traces of classical algorithms from the Introduction to Algorithms textbook. Inspired by this, we propose CLRS-Text -- a textual version of these algorithmic traces. Out of the box, CLRS-Text is capable of procedurally generating trace data for thirty diverse, challenging algorithmic tasks across any desirable input distribution, while offering a standard pipeline in which any additional algorithmic tasks may be created in the benchmark. We fine-tune and evaluate various LMs as generalist executors on this benchmark, validating prior work and revealing a novel, interesting challenge for the LM reasoning community. Our code is available at https://github.com/google-deepmind/clrs/tree/master/clrs/_src/clrs_text.
URLs: https://github.com/google-deepmind/clrs/tree/master/clrs/_src/clrs_text.
Authors: Axel Levy, Eric R. Chan, Sara Fridovich-Keil, Fr\'ed\'eric Poitevin, Ellen D. Zhong, Gordon Wetzstein
Abstract: The interaction of a protein with its environment can be understood and controlled via its 3D structure. Experimental methods for protein structure determination, such as X-ray crystallography or cryogenic electron microscopy, shed light on biological processes but introduce challenging inverse problems. Learning-based approaches have emerged as accurate and efficient methods to solve these inverse problems for 3D structure determination, but are specialized for a predefined type of measurement. Here, we introduce a versatile framework to turn raw biophysical measurements of varying types into 3D atomic models. Our method combines a physics-based forward model of the measurement process with a pretrained generative model providing a task-agnostic, data-driven prior. Our method outperforms posterior sampling baselines on both linear and non-linear inverse problems. In particular, it is the first diffusion-based method for refining atomic models from cryo-EM density maps.
Authors: Max Mueller-Eberstein, Dianna Yee, Karren Yang, Gautam Varma Mantena, Colin Lea
Abstract: Parameter-efficient fine-tuning (PEFT) for personalizing automatic speech recognition (ASR) has recently shown promise for adapting general population models to atypical speech. However, these approaches assume a priori knowledge of the atypical speech disorder being adapted for -- the diagnosis of which requires expert knowledge that is not always available. Even given this knowledge, data scarcity and high inter/intra-speaker variability further limit the effectiveness of traditional fine-tuning. To circumvent these challenges, we first identify the minimal set of model parameters required for ASR adaptation. Our analysis of each individual parameter's effect on adaptation performance allows us to reduce Word Error Rate (WER) by half while adapting 0.03\% of all weights. Alleviating the need for cohort-specific models, we next propose the novel use of a meta-learned hypernetwork to generate highly individualized, utterance-level adaptations on-the-fly for a diverse set of atypical speech characteristics. Evaluating adaptation at the global, cohort and individual-level, we show that hypernetworks generalize better to out-of-distribution speakers, while maintaining an overall relative WER reduction of 75.2% using 0.1% of the full parameter budget.
Authors: Charles Lu, Mohammad Mohammadi Amiri, Ramesh Raskar
Abstract: Decentralized data markets can provide more equitable forms of data acquisition for machine learning. However, to realize practical marketplaces, efficient techniques for seller selection need to be developed. We propose and benchmark federated data measurements to allow a data buyer to find sellers with relevant and diverse datasets. Diversity and relevance measures enable a buyer to make relative comparisons between sellers without requiring intermediate brokers and training task-dependent models.
Authors: Fabio Valerio Massoli, Tim Bakker, Thomas Hehn, Tribhuvanesh Orekondy, Arash Behboodi
Abstract: In recent years, solving optimization problems involving black-box simulators has become a point of focus for the machine learning community due to their ubiquity in science and engineering. The simulators describe a forward process $f_{\mathrm{sim}}: (\psi, x) \rightarrow y$ from simulation parameters $\psi$ and input data $x$ to observations $y$, and the goal of the optimization problem is to find parameters $\psi$ that minimize a desired loss function. Sophisticated optimization algorithms typically require gradient information regarding the forward process, $f_{\mathrm{sim}}$, with respect to the parameters $\psi$. However, obtaining gradients from black-box simulators can often be prohibitively expensive or, in some cases, impossible. Furthermore, in many applications, practitioners aim to solve a set of related problems. Thus, starting the optimization ``ab initio", i.e. from scratch, each time might be inefficient if the forward model is expensive to evaluate. To address those challenges, this paper introduces a novel method for solving classes of similar black-box optimization problems by learning an active learning policy that guides a differentiable surrogate's training and uses the surrogate's gradients to optimize the simulation parameters with gradient descent. After training the policy, downstream optimization of problems involving black-box simulators requires up to $\sim$90\% fewer expensive simulator calls compared to baselines such as local surrogate-based approaches, numerical optimization, and Bayesian methods.
Authors: Edward Hughes, Michael Dennis, Jack Parker-Holder, Feryal Behbahani, Aditi Mavalankar, Yuge Shi, Tom Schaul, Tim Rocktaschel
Abstract: In recent years there has been a tremendous surge in the general capabilities of AI systems, mainly fuelled by training foundation models on internetscale data. Nevertheless, the creation of openended, ever self-improving AI remains elusive. In this position paper, we argue that the ingredients are now in place to achieve openendedness in AI systems with respect to a human observer. Furthermore, we claim that such open-endedness is an essential property of any artificial superhuman intelligence (ASI). We begin by providing a concrete formal definition of open-endedness through the lens of novelty and learnability. We then illustrate a path towards ASI via open-ended systems built on top of foundation models, capable of making novel, humanrelevant discoveries. We conclude by examining the safety implications of generally-capable openended AI. We expect that open-ended foundation models will prove to be an increasingly fertile and safety-critical area of research in the near future.
Authors: Xiang Ji, Sanjeev Kulkarni, Mengdi Wang, Tengyang Xie
Abstract: This work studies the challenge of aligning large language models (LLMs) with offline preference data. We focus on alignment by Reinforcement Learning from Human Feedback (RLHF) in particular. While popular preference optimization methods exhibit good empirical performance in practice, they are not theoretically guaranteed to converge to the optimal policy and can provably fail when the data coverage is sparse by classical offline reinforcement learning (RL) results. On the other hand, a recent line of work has focused on theoretically motivated preference optimization methods with provable guarantees, but these are not computationally efficient for large-scale applications like LLM alignment. To bridge this gap, we propose SPAC, a new offline preference optimization method with self-play, inspired by the on-average pessimism technique from the offline RL literature, to be the first provable and scalable approach to LLM alignment. We both provide theoretical analysis for its convergence under single-policy concentrability for the general function approximation setting and demonstrate its competitive empirical performance for LLM alignment on a 7B Mistral model with Open LLM Leaderboard evaluations.
Authors: Han Zhang, Akram Bin Sediq, Ali Afana, Melike Erol-Kantarci
Abstract: In recent years, machine learning (ML) techniques have created numerous opportunities for intelligent mobile networks and have accelerated the automation of network operations. However, complex network tasks may involve variables and considerations even beyond the capacity of traditional ML algorithms. On the other hand, large language models (LLMs) have recently emerged, demonstrating near-human-level performance in cognitive tasks across various fields. However, they remain prone to hallucinations and often lack common sense in basic tasks. Therefore, they are regarded as assistive tools for humans. In this work, we propose the concept of "generative AI-in-the-loop" and utilize the semantic understanding, context awareness, and reasoning abilities of LLMs to assist humans in handling complex or unforeseen situations in mobile communication networks. We believe that combining LLMs and ML models allows both to leverage their respective capabilities and achieve better results than either model alone. To support this idea, we begin by analyzing the capabilities of LLMs and compare them with traditional ML algorithms. We then explore potential LLM-based applications in line with the requirements of next-generation networks. We further examine the integration of ML and LLMs, discussing how they can be used together in mobile networks. Unlike existing studies, our research emphasizes the fusion of LLMs with traditional ML-driven next-generation networks and serves as a comprehensive refinement of existing surveys. Finally, we provide a case study to enhance ML-based network intrusion detection with synthesized data generated by LLMs. Our case study further demonstrates the advantages of our proposed idea.
Authors: Julius Hense, Mina Jamshidi Idaji, Oliver Eberle, Thomas Schnake, Jonas Dippel, Laure Ciernik, Oliver Buchstab, Andreas Mock, Frederick Klauschen, Klaus-Robert M\"uller
Abstract: Multiple instance learning (MIL) is an effective and widely used approach for weakly supervised machine learning. In histopathology, MIL models have achieved remarkable success in tasks like tumor detection, biomarker prediction, and outcome prognostication. However, MIL explanation methods are still lagging behind, as they are limited to small bag sizes or disregard instance interactions. We revisit MIL through the lens of explainable AI (XAI) and introduce xMIL, a refined framework with more general assumptions. We demonstrate how to obtain improved MIL explanations using layer-wise relevance propagation (LRP) and conduct extensive evaluation experiments on three toy settings and four real-world histopathology datasets. Our approach consistently outperforms previous explanation attempts with particularly improved faithfulness scores on challenging biomarker prediction tasks. Finally, we showcase how xMIL explanations enable pathologists to extract insights from MIL models, representing a significant advance for knowledge discovery and model debugging in digital histopathology.
Authors: William Yang, Ye Zhu, Zhiwei Deng, Olga Russakovsky
Abstract: Dataset distillation has emerged as a strategy to overcome the hurdles associated with large datasets by learning a compact set of synthetic data that retains essential information from the original dataset. While distilled data can be used to train high performing models, little is understood about how the information is stored. In this study, we posit and answer three questions about the behavior, representativeness, and point-wise information content of distilled data. We reveal distilled data cannot serve as a substitute for real data during training outside the standard evaluation setting for dataset distillation. Additionally, the distillation process retains high task performance by compressing information related to the early training dynamics of real models. Finally, we provide an framework for interpreting distilled data and reveal that individual distilled data points contain meaningful semantic information. This investigation sheds light on the intricate nature of distilled data, providing a better understanding on how they can be effectively utilized.
Authors: Adam Fisch, Joshua Maynez, R. Alex Hofer, Bhuwan Dhingra, Amir Globerson, William W. Cohen
Abstract: Prediction-powered inference (PPI) is a method that improves statistical estimates based on limited human-labeled data. PPI achieves this by combining small amounts of human-labeled data with larger amounts of data labeled by a reasonably accurate -- but potentially biased -- automatic system, in a way that results in tighter confidence intervals for certain parameters of interest (e.g., the mean performance of a language model). In this paper, we propose a method called Stratified Prediction-Powered Inference (StratPPI), in which we show that the basic PPI estimates can be considerably improved by employing simple data stratification strategies. Without making any assumptions on the underlying automatic labeling system or data distribution, we derive an algorithm for computing provably valid confidence intervals for population parameters (such as averages) that is based on stratified sampling. In particular, we show both theoretically and empirically that, with appropriate choices of stratification and sample allocation, our approach can provide substantially tighter confidence intervals than unstratified approaches. Specifically, StratPPI is expected to improve in cases where the performance of the autorater varies across different conditional distributions of the target data.
Authors: Zhonghao Wang, Danyu Sun, Sheng Zhou, Haobo Wang, Jiapei Fan, Longtao Huang, Jiajun Bu
Abstract: Graph Neural Networks (GNNs) exhibit strong potential in node classification task through a message-passing mechanism. However, their performance often hinges on high-quality node labels, which are challenging to obtain in real-world scenarios due to unreliable sources or adversarial attacks. Consequently, label noise is common in real-world graph data, negatively impacting GNNs by propagating incorrect information during training. To address this issue, the study of Graph Neural Networks under Label Noise (GLN) has recently gained traction. However, due to variations in dataset selection, data splitting, and preprocessing techniques, the community currently lacks a comprehensive benchmark, which impedes deeper understanding and further development of GLN. To fill this gap, we introduce NoisyGL in this paper, the first comprehensive benchmark for graph neural networks under label noise. NoisyGL enables fair comparisons and detailed analyses of GLN methods on noisy labeled graph data across various datasets, with unified experimental settings and interface. Our benchmark has uncovered several important insights that were missed in previous research, and we believe these findings will be highly beneficial for future studies. We hope our open-source benchmark library will foster further advancements in this field. The code of the benchmark can be found in https://github.com/eaglelab-zju/NoisyGL.
Authors: Ilia Sucholutsky, Katherine M. Collins, Maya Malaviya, Nori Jacoby, Weiyang Liu, Theodore R. Sumers, Michalis Korakakis, Umang Bhatt, Mark Ho, Joshua B. Tenenbaum, Brad Love, Zachary A. Pardos, Adrian Weller, Thomas L. Griffiths
Abstract: A good teacher should not only be knowledgeable; but should be able to communicate in a way that the student understands -- to share the student's representation of the world. In this work, we integrate insights from machine teaching and pragmatic communication with the burgeoning literature on representational alignment to characterize a utility curve defining a relationship between representational alignment and teacher capability for promoting student learning. To explore the characteristics of this utility curve, we design a supervised learning environment that disentangles representational alignment from teacher accuracy. We conduct extensive computational experiments with machines teaching machines, complemented by a series of experiments in which machines teach humans. Drawing on our findings that improved representational alignment with a student improves student learning outcomes (i.e., task accuracy), we design a classroom matching procedure that assigns students to teachers based on the utility curve. If we are to design effective machine teachers, it is not enough to build teachers that are accurate -- we want teachers that can align, representationally, to their students too.
Authors: Lukas Aichberger, Kajetan Schweighofer, Mykyta Ielanskyi, Sepp Hochreiter
Abstract: Large language models (LLMs) can suffer from hallucinations when generating text. These hallucinations impede various applications in society and industry by making LLMs untrustworthy. Current LLMs generate text in an autoregressive fashion by predicting and appending text tokens. When an LLM is uncertain about the semantic meaning of the next tokens to generate, it is likely to start hallucinating. Thus, it has been suggested that hallucinations stem from predictive uncertainty. We introduce Semantically Diverse Language Generation (SDLG) to quantify predictive uncertainty in LLMs. SDLG steers the LLM to generate semantically diverse yet likely alternatives for an initially generated text. This approach provides a precise measure of aleatoric semantic uncertainty, detecting whether the initial text is likely to be hallucinated. Experiments on question-answering tasks demonstrate that SDLG consistently outperforms existing methods while being the most computationally efficient, setting a new standard for uncertainty estimation in LLMs.
Authors: Natalie Maus, Kyurae Kim, Geoff Pleiss, David Eriksson, John P. Cunningham, Jacob R. Gardner
Abstract: High-dimensional Bayesian optimization (BO) tasks such as molecular design often require 10,000 function evaluations before obtaining meaningful results. While methods like sparse variational Gaussian processes (SVGPs) reduce computational requirements in these settings, the underlying approximations result in suboptimal data acquisitions that slow the progress of optimization. In this paper we modify SVGPs to better align with the goals of BO: targeting informed data acquisition rather than global posterior fidelity. Using the framework of utility-calibrated variational inference, we unify GP approximation and data acquisition into a joint optimization problem, thereby ensuring optimal decisions under a limited computational budget. Our approach can be used with any decision-theoretic acquisition function and is compatible with trust region methods like TuRBO. We derive efficient joint objectives for the expected improvement and knowledge gradient acquisition functions in both the standard and batch BO settings. Our approach outperforms standard SVGPs on high-dimensional benchmark tasks in control and molecular design.
Authors: Andy Zou, Long Phan, Justin Wang, Derek Duenas, Maxwell Lin, Maksym Andriushchenko, Rowan Wang, Zico Kolter, Matt Fredrikson, Dan Hendrycks
Abstract: AI systems can take harmful actions and are highly vulnerable to adversarial attacks. We present an approach, inspired by recent advances in representation engineering, that "short-circuits" models as they respond with harmful outputs. Existing techniques aimed at improving alignment, such as refusal training, are often bypassed. Techniques such as adversarial training try to plug these holes by countering specific attacks. As an alternative to refusal training and adversarial training, short-circuiting directly controls the representations that are responsible for harmful outputs in the first place. Our technique can be applied to both text-only and multimodal language models to prevent the generation of harmful outputs without sacrificing utility -- even in the presence of powerful unseen attacks. Notably, while adversarial robustness in standalone image recognition remains an open challenge, short-circuiting allows the larger multimodal system to reliably withstand image "hijacks" that aim to produce harmful content. Finally, we extend our approach to AI agents, demonstrating considerable reductions in the rate of harmful actions when they are under attack. Our approach represents a significant step forward in the development of reliable safeguards to harmful behavior and adversarial attacks.
Authors: Tristan Cinquin, Robert Bamler
Abstract: Bayesian neural networks (BNN) promise to combine the predictive performance of neural networks with principled uncertainty modeling important for safety-critical systems and decision making. However, posterior uncertainty estimates depend on the choice of prior, and finding informative priors in weight-space has proven difficult. This has motivated variational inference (VI) methods that pose priors directly on the function generated by the BNN rather than on weights. In this paper, we address a fundamental issue with such function-space VI approaches pointed out by Burt et al. (2020), who showed that the objective function (ELBO) is negative infinite for most priors of interest. Our solution builds on generalized VI (Knoblauch et al., 2019) with the regularized KL divergence (Quang, 2019) and is, to the best of our knowledge, the first well-defined variational objective for function-space inference in BNNs with Gaussian process (GP) priors. Experiments show that our method incorporates the properties specified by the GP prior on synthetic and small real-world data sets, and provides competitive uncertainty estimates for regression, classification and out-of-distribution detection compared to BNN baselines with both function and weight-space priors.
Authors: Chen-Yu Yen, Raghav Singhal, Umang Sharma, Rajesh Ranganath, Sumit Chopra, Lerrel Pinto
Abstract: Magnetic Resonance (MR) imaging, despite its proven diagnostic utility, remains an inaccessible imaging modality for disease surveillance at the population level. A major factor rendering MR inaccessible is lengthy scan times. An MR scanner collects measurements associated with the underlying anatomy in the Fourier space, also known as the k-space. Creating a high-fidelity image requires collecting large quantities of such measurements, increasing the scan time. Traditionally to accelerate an MR scan, image reconstruction from under-sampled k-space data is the method of choice. However, recent works show the feasibility of bypassing image reconstruction and directly learning to detect disease directly from a sparser learned subset of the k-space measurements. In this work, we propose Adaptive Sampling for MR (ASMR), a sampling method that learns an adaptive policy to sequentially select k-space samples to optimize for target disease detection. On 6 out of 8 pathology classification tasks spanning the Knee, Brain, and Prostate MR scans, ASMR reaches within 2% of the performance of a fully sampled classifier while using only 8% of the k-space, as well as outperforming prior state-of-the-art work in k-space sampling such as EMRT, LOUPE, and DPS.
Authors: Ali Behrouz, Michele Santacatterina, Ramin Zabih
Abstract: Modeling multivariate time series is a well-established problem with a wide range of applications from healthcare to financial markets. Traditional State Space Models (SSMs) are classical approaches for univariate time series modeling due to their simplicity and expressive power to represent linear dependencies. They, however, have fundamentally limited expressive power to capture non-linear dependencies, are slow in practice, and fail to model the inter-variate information flow. Despite recent attempts to improve the expressive power of SSMs by using deep structured SSMs, the existing methods are either limited to univariate time series, fail to model complex patterns (e.g., seasonal patterns), fail to dynamically model the dependencies of variate and time dimensions, and/or are input-independent. We present Chimera that uses two input-dependent 2-D SSM heads with different discretization processes to learn long-term progression and seasonal patterns. To improve the efficiency of complex 2D recurrence, we present a fast training using a new 2-dimensional parallel selective scan. We further present and discuss 2-dimensional Mamba and Mamba-2 as the spacial cases of our 2D SSM. Our experimental evaluation shows the superior performance of Chimera on extensive and diverse benchmarks, including ECG and speech time series classification, long-term and short-term time series forecasting, and time series anomaly detection.
Authors: Qianlan Yang, Yu-Xiong Wang
Abstract: Training autonomous agents with sparse rewards is a long-standing problem in online reinforcement learning (RL), due to low data efficiency. Prior work overcomes this challenge by extracting useful knowledge from offline data, often accomplished through the learning of action distribution from offline data and utilizing the learned distribution to facilitate online RL. However, since the offline data are given and fixed, the extracted knowledge is inherently limited, making it difficult to generalize to new tasks. We propose a novel approach that leverages offline data to learn a generative diffusion model, coined as Adaptive Trajectory Diffuser (ATraDiff). This model generates synthetic trajectories, serving as a form of data augmentation and consequently enhancing the performance of online RL methods. The key strength of our diffuser lies in its adaptability, allowing it to effectively handle varying trajectory lengths and mitigate distribution shifts between online and offline data. Because of its simplicity, ATraDiff seamlessly integrates with a wide spectrum of RL methods. Empirical evaluation shows that ATraDiff consistently achieves state-of-the-art performance across a variety of environments, with particularly pronounced improvements in complicated settings. Our code and demo video are available at https://atradiff.github.io .
Authors: Pietro Lesci, Clara Meister, Thomas Hofmann, Andreas Vlachos, Tiago Pimentel
Abstract: Understanding memorisation in language models has practical and societal implications, e.g., studying models' training dynamics or preventing copyright infringements. Prior work defines memorisation as the causal effect of training with an instance on the model's ability to predict that instance. This definition relies on a counterfactual: the ability to observe what would have happened had the model not seen that instance. Existing methods struggle to provide computationally efficient and accurate estimates of this counterfactual. Further, they often estimate memorisation for a model architecture rather than for a specific model instance. This paper fills an important gap in the literature, proposing a new, principled, and efficient method to estimate memorisation based on the difference-in-differences design from econometrics. Using this method, we characterise a model's memorisation profile--its memorisation trends across training--by only observing its behaviour on a small set of instances throughout training. In experiments with the Pythia model suite, we find that memorisation (i) is stronger and more persistent in larger models, (ii) is determined by data order and learning rate, and (iii) has stable trends across model sizes, thus making memorisation in larger models predictable from smaller ones.
Authors: Dulhan Jayalath, Gilad Landau, Brendan Shillingford, Mark Woolrich, Oiwi Parker Jones
Abstract: The past few years have produced a series of spectacular advances in the decoding of speech from brain activity. The engine of these advances has been the acquisition of labelled data, with increasingly large datasets acquired from single subjects. However, participants exhibit anatomical and other individual differences, and datasets use varied scanners and task designs. As a result, prior work has struggled to leverage data from multiple subjects, multiple datasets, multiple tasks, and unlabelled datasets. In turn, the field has not benefited from the rapidly growing number of open neural data repositories to exploit large-scale data and deep learning. To address this, we develop an initial set of neuroscience-inspired self-supervised objectives, together with a neural architecture, for representation learning from heterogeneous and unlabelled neural recordings. Experimental results show that representations learned with these objectives generalise across subjects, datasets, and tasks, and are also learned faster than using only labelled data. In addition, we set new benchmarks for two foundational speech decoding tasks. Taken together, these methods now unlock the potential for training speech decoding models with orders of magnitude more existing data.
Authors: Jiaxin Shi, Kehang Han, Zhe Wang, Arnaud Doucet, Michalis K. Titsias
Abstract: Masked (or absorbing) diffusion is actively explored as an alternative to autoregressive models for generative modeling of discrete data. However, existing work in this area has been hindered by unnecessarily complex model formulations and unclear relationships between different perspectives, leading to suboptimal parameterization, training objectives, and ad hoc adjustments to counteract these issues. In this work, we aim to provide a simple and general framework that unlocks the full potential of masked diffusion models. We show that the continuous-time variational objective of masked diffusion models is a simple weighted integral of cross-entropy losses. Our framework also enables training generalized masked diffusion models with state-dependent masking schedules. When evaluated by perplexity, our models trained on OpenWebText surpass prior diffusion language models at GPT-2 scale and demonstrate superior performance on 4 out of 5 zero-shot language modeling tasks. Furthermore, our models vastly outperform previous discrete diffusion models on pixel-level image modeling, achieving 2.78~(CIFAR-10) and 3.42 (ImageNet 64$\times$64) bits per dimension that are comparable or better than autoregressive models of similar sizes.
Authors: Bohang Zhang, Lingxiao Zhao, Haggai Maron
Abstract: Incorporating spectral information to enhance Graph Neural Networks (GNNs) has shown promising results but raises a fundamental challenge due to the inherent ambiguity of eigenvectors. Various architectures have been proposed to address this ambiguity, referred to as spectral invariant architectures. Notable examples include GNNs and Graph Transformers that use spectral distances, spectral projection matrices, or other invariant spectral features. However, the potential expressive power of these spectral invariant architectures remains largely unclear. The goal of this work is to gain a deep theoretical understanding of the expressive power obtainable when using spectral features. We first introduce a unified message-passing framework for designing spectral invariant GNNs, called Eigenspace Projection GNN (EPNN). A comprehensive analysis shows that EPNN essentially unifies all prior spectral invariant architectures, in that they are either strictly less expressive or equivalent to EPNN. A fine-grained expressiveness hierarchy among different architectures is also established. On the other hand, we prove that EPNN itself is bounded by a recently proposed class of Subgraph GNNs, implying that all these spectral invariant architectures are strictly less expressive than 3-WL. Finally, we discuss whether using spectral features can gain additional expressiveness when combined with more expressive GNNs.
Authors: Tim Z. Xiao, Robert Bamler, Bernhard Sch\"olkopf, Weiyang Liu
Abstract: Motivated by the large progress made by large language models (LLMs), we introduce the framework of verbalized machine learning (VML). In contrast to conventional machine learning models that are typically optimized over a continuous parameter space, VML constrains the parameter space to be human-interpretable natural language. Such a constraint leads to a new perspective of function approximation, where an LLM with a text prompt can be viewed as a function parameterized by the text prompt. Guided by this perspective, we revisit classical machine learning problems, such as regression and classification, and find that these problems can be solved by an LLM-parameterized learner and optimizer. The major advantages of VML include (1) easy encoding of inductive bias: prior knowledge about the problem and hypothesis class can be encoded in natural language and fed into the LLM-parameterized learner; (2) automatic model class selection: the optimizer can automatically select a concrete model class based on data and verbalized prior knowledge, and it can update the model class during training; and (3) interpretable learner updates: the LLM-parameterized optimizer can provide explanations for why each learner update is performed. We conduct several studies to empirically evaluate the effectiveness of VML, and hope that VML can serve as a stepping stone to stronger interpretability and trustworthiness in ML.
Authors: Pietro Mazzaglia, Taco Cohen, Daniel Dijkman
Abstract: Robotic affordances, providing information about what actions can be taken in a given situation, can aid robotic manipulation. However, learning about affordances requires expensive large annotated datasets of interactions or demonstrations. In this work, we argue that well-directed interactions with the environment can mitigate this problem and propose an information-based measure to augment the agent's objective and accelerate the affordance discovery process. We provide a theoretical justification of our approach and we empirically validate the approach both in simulation and real-world tasks. Our method, which we dub IDA, enables the efficient discovery of visual affordances for several action primitives, such as grasping, stacking objects, or opening drawers, strongly improving data efficiency in simulation, and it allows us to learn grasping affordances in a small number of interactions, on a real-world setup with a UFACTORY XArm 6 robot arm.
Authors: Fuzhong Zhou, Chenyu Zhang, Xu Chen, Xuan Di
Abstract: We propose a discrete time graphon game formulation on continuous state and action spaces using a representative player to study stochastic games with heterogeneous interaction among agents. This formulation admits both philosophical and mathematical advantages, compared to a widely adopted formulation using a continuum of players. We prove the existence and uniqueness of the graphon equilibrium with mild assumptions, and show that this equilibrium can be used to construct an approximate solution for finite player game on networks, which is challenging to analyze and solve due to curse of dimensionality. An online oracle-free learning algorithm is developed to solve the equilibrium numerically, and sample complexity analysis is provided for its convergence.
Authors: Biao Sun, Ziming Huang, Hanyu Zhao, Wencong Xiao, Xinyi Zhang, Yong Li, Wei Lin
Abstract: Inference serving for large language models (LLMs) is the key to unleashing their potential in people's daily lives. However, efficient LLM serving remains challenging today because the requests are inherently heterogeneous and unpredictable in terms of resource and latency requirements, as a result of the diverse applications and the dynamic execution nature of LLMs. Existing systems are fundamentally limited in handling these characteristics and cause problems such as severe queuing delays, poor tail latencies, and SLO violations. We introduce Llumnix, an LLM serving system that reacts to such heterogeneous and unpredictable requests by runtime rescheduling across multiple model instances. Similar to context switching across CPU cores in modern operating systems, Llumnix reschedules requests to improve load balancing and isolation, mitigate resource fragmentation, and differentiate request priorities and SLOs. Llumnix implements the rescheduling with an efficient and scalable live migration mechanism for requests and their in-memory states, and exploits it in a dynamic scheduling policy that unifies the multiple rescheduling scenarios elegantly. Our evaluations show that Llumnix improves tail latencies by an order of magnitude, accelerates high-priority requests by up to 1.5x, and delivers up to 36% cost savings while achieving similar tail latencies, compared against state-of-the-art LLM serving systems. Llumnix is publicly available at https://github.com/AlibabaPAI/llumnix.
Authors: Yifan Xia, Xianliang Yang, Zichuan Liu, Zhihao Liu, Lei Song, Jiang Bian
Abstract: Recent advancements in solving large-scale traveling salesman problems (TSP) utilize the heatmap-guided Monte Carlo tree search (MCTS) paradigm, where machine learning (ML) models generate heatmaps, indicating the probability distribution of each edge being part of the optimal solution, to guide MCTS in solution finding. However, our theoretical and experimental analysis raises doubts about the effectiveness of ML-based heatmap generation. In support of this, we demonstrate that a simple baseline method can outperform complex ML approaches in heatmap generation. Furthermore, we question the practical value of the heatmap-guided MCTS paradigm. To substantiate this, our findings show its inferiority to the LKH-3 heuristic despite the paradigm's reliance on problem-specific, hand-crafted strategies. For the future, we suggest research directions focused on developing more theoretically sound heatmap generation methods and exploring autonomous, generalizable ML approaches for combinatorial problems. The code is available for review: https://github.com/xyfffff/rethink_mcts_for_tsp.
Authors: Theo Guyard, C\'edric Herzet, Cl\'ement Elvira, Ay\c{s}e-Nur Arslan
Abstract: We consider the resolution of learning problems involving $\ell_0$-regularization via Branch-and-Bound (BnB) algorithms. These methods explore regions of the feasible space of the problem and check whether they do not contain solutions through "pruning tests". In standard implementations, evaluating a pruning test requires to solve a convex optimization problem, which may result in computational bottlenecks. In this paper, we present an alternative to implement pruning tests for some generic family of $\ell_0$-regularized problems. Our proposed procedure allows the simultaneous assessment of several regions and can be embedded in standard BnB implementations with a negligible computational overhead. We show through numerical simulations that our pruning strategy can improve the solving time of BnB procedures by several orders of magnitude for typical problems encountered in machine-learning applications.
Authors: Kun Wang, Yi-Rui Yang, Wu-Jun Li
Abstract: Asynchronous federated learning (AFL) is an effective method to address the challenge of device heterogeneity in cross-device federated learning. However, AFL is usually incompatible with existing secure aggregation protocols used to protect user privacy in federated learning because most existing secure aggregation protocols are based on synchronous aggregation. To address this problem, we propose a novel secure aggregation protocol named buffered asynchronous secure aggregation (BASA) in this paper. Compared with existing protocols, BASA is fully compatible with AFL and provides secure aggregation under the condition that each user only needs one round of communication with the server without relying on any synchronous interaction among users. Based on BASA, we propose the first AFL method which achieves secure aggregation without extra requirements on hardware. We empirically demonstrate that BASA outperforms existing secure aggregation protocols for cross-device federated learning in terms of training efficiency and scalability.
Authors: Hritik Bansal, Zongyu Lin, Tianyi Xie, Zeshun Zong, Michal Yarom, Yonatan Bitton, Chenfanfu Jiang, Yizhou Sun, Kai-Wei Chang, Aditya Grover
Abstract: Recent advances in internet-scale video data pretraining have led to the development of text-to-video generative models that can create high-quality videos across a broad range of visual concepts and styles. Due to their ability to synthesize realistic motions and render complex objects, these generative models have the potential to become general-purpose simulators of the physical world. However, it is unclear how far we are from this goal with the existing text-to-video generative models. To this end, we present VideoPhy, a benchmark designed to assess whether the generated videos follow physical commonsense for real-world activities (e.g. marbles will roll down when placed on a slanted surface). Specifically, we curate a list of 688 captions that involve interactions between various material types in the physical world (e.g., solid-solid, solid-fluid, fluid-fluid). We then generate videos conditioned on these captions from diverse state-of-the-art text-to-video generative models, including open models (e.g., VideoCrafter2) and closed models (e.g., Lumiere from Google, Pika). Further, our human evaluation reveals that the existing models severely lack the ability to generate videos adhering to the given text prompts, while also lack physical commonsense. Specifically, the best performing model, Pika, generates videos that adhere to the caption and physical laws for only 19.7% of the instances. VideoPhy thus highlights that the video generative models are far from accurately simulating the physical world. Finally, we also supplement the dataset with an auto-evaluator, VideoCon-Physics, to assess semantic adherence and physical commonsense at scale.
Authors: Robert-Jeron Reifert, Hayssam Dahrouj, Alaa Alameer Ahmad, Haris Gacanin, Aydin Sezgin
Abstract: The convergence of communication and computation, along with the integration of machine learning and artificial intelligence, stand as key empowering pillars for the sixth-generation of communication systems (6G). This paper considers a network of one base station serving a number of devices simultaneously using spatial multiplexing. The paper then presents an innovative deep learning-based approach to simultaneously manage the transmit and computing powers, alongside computation allocation, amidst uncertainties in both channel and computing states information. More specifically, the paper aims at proposing a robust solution that minimizes the worst-case delay across the served devices subject to computation and power constraints. The paper uses a deep neural network (DNN)-based solution that maps estimated channels and computation requirements to optimized resource allocations. During training, uncertainty samples are injected after the DNN output to jointly account for both communication and computation estimation errors. The DNN is then trained via backpropagation using the robust utility, thus implicitly learning the uncertainty distributions. Our results validate the enhanced robust delay performance of the joint uncertainty injection versus the classical DNN approach, especially in high channel and computational uncertainty regimes.
Authors: Max Hirsch, Federico Pichi, Jan S. Hesthaven
Abstract: In this paper, we introduce the neural empirical interpolation method (NEIM), a neural network-based alternative to the discrete empirical interpolation method for reducing the time complexity of computing the nonlinear term in a reduced order model (ROM) for a parameterized nonlinear partial differential equation. NEIM is a greedy algorithm which accomplishes this reduction by approximating an affine decomposition of the nonlinear term of the ROM, where the vector terms of the expansion are given by neural networks depending on the ROM solution, and the coefficients are given by an interpolation of some "optimal" coefficients. Because NEIM is based on a greedy strategy, we are able to provide a basic error analysis to investigate its performance. NEIM has the advantages of being easy to implement in models with automatic differentiation, of being a nonlinear projection of the ROM nonlinearity, of being efficient for both nonlocal and local nonlinearities, and of relying solely on data and not the explicit form of the ROM nonlinearity. We demonstrate the effectiveness of the methodology on solution-dependent and solution-independent nonlinearities, a nonlinear elliptic problem, and a nonlinear parabolic model of liquid crystals.
Authors: Ois\'in M. Morrison, Federico Pichi, Jan S. Hesthaven
Abstract: This work presents a novel resolution-invariant model order reduction strategy for multifidelity applications. We base our architecture on a novel neural network layer developed in this work, the graph feedforward network, which extends the concept of feedforward networks to graph-structured data by creating a direct link between the weights of a neural network and the nodes of a mesh, enhancing the interpretability of the network. We exploit the method's capability of training and testing on different mesh sizes in an autoencoder-based reduction strategy for parametrised partial differential equations. We show that this extension comes with provable guarantees on the performance via error bounds. The capabilities of the proposed methodology are tested on three challenging benchmarks, including advection-dominated phenomena and problems with a high-dimensional parameter space. The method results in a more lightweight and highly flexible strategy when compared to state-of-the-art models, while showing excellent generalisation performance in both single fidelity and multifidelity scenarios.
Authors: Elena Grigorescu, Young-San Lin, Maoyuan Song
Abstract: Learning-augmented algorithms has been extensively studied recently in the computer-science community, due to the potential of using machine learning predictions in order to improve the performance of algorithms. Predictions are especially useful for online algorithms making irrevocable decisions without knowledge of the future. Such learning-augmented algorithms aim to overcome the limitations of classical online algorithms when the predictions are accurate, and still perform comparably when the predictions are inaccurate. A common approach is to adapt existing online algorithms to the particular advice notion employed, which often involves understanding previous sophisticated algorithms and their analyses. However, ideally, one would simply use previous online solutions in a black-box fashion, without much loss in the approximation guarantees. Such clean solutions that avoid opening up black-boxes are often rare, and may be even missed the first time around. For example, Grigorescu et al. (NeurIPS 22) proposed a learning-augmented algorithms for online covering linear programs, but it later turned out that their results can be subsumed by a natural approach that switches between the advice and an online algorithm given as a black-box, as noted in their paper. In this work, we introduce and analyze a simple learning-augmented algorithm for online packing problems with linear constraints and concave objectives. We exhibit several direct applications of our framework including online packing linear programming, knapsack, resource management benefit, throughput maximization, and network utility maximization. We further raise the problem of understanding necessary and sufficient conditions for when such simple black-box solutions may be optimal. We believe this is an important direction of research that would unify many ad-hoc approaches from the literature.
Authors: Harshvardhan Mestha, Tejas Agarwal, Karan Bania, Shreyas V, Yash Bhisikar
Abstract: Large vision-language models (VLMs) are shown to learn rich joint image-text representations enabling high performances in relevant downstream tasks. However, they fail to showcase their quantitative understanding of objects, and they lack good counting-aware representation. This paper conducts a reproducibility study of 'Teaching CLIP to Count to Ten' (Paiss et al., 2023), which presents a method to finetune a CLIP model (Radford et al., 2021) to improve zero-shot counting accuracy in an image while maintaining the performance for zero-shot classification by introducing a counting-contrastive loss term. We improve the model's performance on a smaller subset of their training data with lower computational resources. We verify these claims by reproducing their study with our own code. The implementation can be found at https://github.com/SforAiDl/CountCLIP.
Authors: Sandro Costa Magalh\~aes, Ant\'onio Paulo Moreira, Filipe Neves dos Santos, Jorge Dias
Abstract: RGB-D sensors face multiple challenges operating under open-field environments because of their sensitivity to external perturbations such as radiation or rain. Multiple works are approaching the challenge of perceiving the 3D position of objects using monocular cameras. However, most of these works focus mainly on deep learning-based solutions, which are complex, data-driven, and difficult to predict. So, we aim to approach the problem of predicting the 3D objects' position using a Gaussian viewpoint estimator named best viewpoint estimator (BVE) powered by an extended Kalman filter (EKF). The algorithm proved efficient on the tasks and reached a maximum average Euclidean error of about 32 mm. The experiments were deployed and evaluated in MATLAB using artificial Gaussian noise. Future work aims to implement the system in a robotic system.
Authors: Jiaming Qu, Jaime Arguello, Yue Wang
Abstract: Explainable AI (XAI) algorithms aim to help users understand how a machine learning model makes predictions. To this end, many approaches explain which input features are most predictive of a target label. However, such explanations can still be puzzling to users (e.g., in product reviews, the word "problems" is predictive of positive sentiment). If left unexplained, puzzling explanations can have negative impacts. Explaining unintuitive associations between an input feature and a target label is an underexplored area in XAI research. We take an initial effort in this direction using unintuitive associations learned by sentiment classifiers as a case study. We propose approaches for (1) automatically detecting associations that can appear unintuitive to users and (2) generating explanations to help users understand why an unintuitive feature is predictive. Results from a crowdsourced study (N=300) found that our proposed approaches can effectively detect and explain predictive but unintuitive features in sentiment classification.
Authors: Masum Hasan, Cengiz Ozel, Nina Long, Alexander Martin, Samuel Potter, Tariq Adnan, Sangwu Lee, Amir Zadeh, Ehsan Hoque
Abstract: We propose a new large synthetic hand pose estimation dataset, Hi5, and a novel inexpensive method for collecting high-quality synthetic data that requires no human annotation or validation. Leveraging recent advancements in computer graphics, high-fidelity 3D hand models with diverse genders and skin colors, and dynamic environments and camera movements, our data synthesis pipeline allows precise control over data diversity and representation, ensuring robust and fair model training. We generate a dataset with 583,000 images with accurate pose annotation using a single consumer PC that closely represents real-world variability. Pose estimation models trained with Hi5 perform competitively on real-hand benchmarks while surpassing models trained with real data when tested on occlusions and perturbations. Our experiments show promising results for synthetic data as a viable solution for data representation problems in real datasets. Overall, this paper provides a promising new approach to synthetic data creation and annotation that can reduce costs and increase the diversity and quality of data for hand pose estimation.
Authors: Wei-Ting Tang, Ankush Chakrabarty, Joel A. Paulson
Abstract: Novelty search (NS) refers to a class of exploration algorithms that automatically uncover diverse system behaviors through simulations or experiments. Systematically obtaining diverse outcomes is a key component in many real-world design problems such as material and drug discovery, neural architecture search, reinforcement learning, and robot navigation. Since the relationship between the inputs and outputs (i.e., behaviors) of these complex systems is typically not available in closed form, NS requires a black-box perspective. Consequently, popular NS algorithms rely on evolutionary optimization and other meta-heuristics that require intensive sampling of the input space, which is impractical when the system is expensive to evaluate. We propose a Bayesian optimization inspired algorithm for sample-efficient NS that is specifically designed for such expensive black-box systems. Our approach models the input-to-behavior mapping with multi-output Gaussian processes (MOGP) and selects the next point to evaluate by maximizing a novelty metric that depends on a posterior sample drawn from the MOGP that promotes both exploration and exploitation. By leveraging advances in efficient posterior sampling and high-dimensional Gaussian process modeling, we discuss how our approach can be made scalable with respect to both amount of data and number of inputs. We test our approach on ten synthetic benchmark problems and eight real-world problems (with up to 2133 inputs) including new applications such as discovery of diverse metal organic frameworks for use in clean energy technology. We show that our approach greatly outperforms existing NS algorithms by finding substantially larger sets of diverse behaviors under limited sample budgets.
Authors: Ryumei Nakada, Yichen Xu, Lexin Li, Linjun Zhang
Abstract: Imbalanced data and spurious correlations are common challenges in machine learning and data science. Oversampling, which artificially increases the number of instances in the underrepresented classes, has been widely adopted to tackle these challenges. In this article, we introduce OPAL (\textbf{O}versam\textbf{P}ling with \textbf{A}rtificial \textbf{L}LM-generated data), a systematic oversampling approach that leverages the capabilities of large language models (LLMs) to generate high-quality synthetic data for minority groups. Recent studies on synthetic data generation using deep generative models mostly target prediction tasks. Our proposal differs in that we focus on handling imbalanced data and spurious correlations. More importantly, we develop a novel theory that rigorously characterizes the benefits of using the synthetic data, and shows the capacity of transformers in generating high-quality synthetic data for both labels and covariates. We further conduct intensive numerical experiments to demonstrate the efficacy of our proposed approach compared to some representative alternative solutions.
Authors: Omar Alhussein, Ning Zhang, Sami Muhaidat, Weihua Zhuang
Abstract: This paper explores the integration of active machine learning (ML) for 6G networks, an area that remains under-explored yet holds potential. Unlike passive ML systems, active ML can be made to interact with the network environment. It actively selects informative and representative data points for training, thereby reducing the volume of data needed while accelerating the learning process. While active learning research mainly focuses on data annotation, we call for a network-centric active learning framework that considers both annotation (i.e., what is the label) and data acquisition (i.e., which and how many samples to collect). Moreover, we explore the synergy between generative artificial intelligence (AI) and active learning to overcome existing limitations in both active learning and generative AI. This paper also features a case study on a mmWave throughput prediction problem to demonstrate the practical benefits and improved performance of active learning for 6G networks. Furthermore, we discuss how the implications of active learning extend to numerous 6G network use cases. We highlight the potential of active learning based 6G networks to enhance computational efficiency, data annotation and acquisition efficiency, adaptability, and overall network intelligence. We conclude with a discussion on challenges and future research directions for active learning in 6G networks, including development of novel query strategies, distributed learning integration, and inclusion of human- and machine-in-the-loop learning.
Authors: Federico Mora, Justin Wong, Haley Lepe, Sahil Bhatia, Karim Elmaaroufi, George Varghese, Joseph E. Gonzalez, Elizabeth Polgreen, Sanjit A. Seshia
Abstract: Recent advances in large language models (LLMs) for code applications have demonstrated remarkable zero-shot fluency and instruction following on challenging code related tasks ranging from test case generation to self-repair. Unsurprisingly, however, models struggle to compose syntactically valid programs in programming languages unrepresented in pre-training, referred to as very low-resource Programming Languages (VLPLs). VLPLs appear in crucial settings including domain-specific languages for internal to tools and tool-chains and legacy languages. Inspired by an HCI technique called natural program elicitation, we propose designing an intermediate language that LLMs ``naturally'' know how to use and which can be automatically compiled to the target VLPL. Specifically, we introduce synthetic programming elicitation and compilation (SPEAK), an approach that enables LLMs to generate syntactically valid code even for VLPLs. We empirically evaluate the performance of SPEAK in a case study and find that, compared to existing retrieval and fine-tuning baselines, SPEAK produces syntactically correct programs more frequently without sacrificing semantic correctness.
Authors: Ahad Jawaid, Shreeram Suresh Chandra, Junchen Lu, Berrak Sisman
Abstract: Recent advances in style transfer text-to-speech (TTS) have improved the expressiveness of synthesized speech. Despite these advancements, encoding stylistic information from diverse and unseen reference speech remains challenging. This paper introduces StyleMoE, an approach that divides the embedding space, modeled by the style encoder, into tractable subsets handled by style experts. The proposed method replaces the style encoder in a TTS system with a Mixture of Experts (MoE) layer. By utilizing a gating network to route reference speeches to different style experts, each expert specializes in aspects of the style space during optimization. Our experiments objectively and subjectively demonstrate the effectiveness of our proposed method in increasing the coverage of the style space for diverse and unseen styles. This approach can enhance the performance of existing state-of-the-art style transfer TTS models, marking the first study of MoE in style transfer TTS to our knowledge.
Authors: Dyah Adila, Changho Shin, Yijing Zhang, Frederic Sala
Abstract: Aligning pretrained language models (LMs) is a complex and resource-intensive process, often requiring access to large amounts of ground-truth preference data and substantial compute. Are these costs necessary? That is, it is possible to align using only inherent model knowledge and without additional training? We tackle this challenge with AlignEZ, a novel approach that uses (1) self-generated preference data and (2) representation editing to provide nearly cost-free alignment. During inference, AlignEZ modifies LM representations to reduce undesirable and boost desirable components using subspaces identified via self-generated preference pairs. Our experiments reveal that this nearly cost-free procedure significantly narrows the gap between base pretrained and tuned models by an average of 31.6%, observed across six datasets and three model architectures. Additionally, we explore the potential of using AlignEZ as a means of expediting more expensive alignment procedures. Our experiments show that AlignEZ improves DPO models tuned only using a small subset of ground-truth preference data. Lastly, we study the conditions under which improvement using AlignEZ is feasible, providing valuable insights into its effectiveness.
Authors: Duy Khanh Lam
Abstract: This paper investigates the problem of ensembling multiple strategies for sequential portfolios to outperform individual strategies in terms of long-term wealth. Due to the uncertainty of strategies' performances in the future market, which are often based on specific models and statistical assumptions, investors often mitigate risk and enhance robustness by combining multiple strategies, akin to common approaches in collective learning prediction. However, the absence of a distribution-free and consistent preference framework complicates decisions of combination due to the ambiguous objective. To address this gap, we introduce a novel framework for decision-making in combining strategies, irrespective of market conditions, by establishing the investor's preference between decisions and then forming a clear objective. Through this framework, we propose a combinatorial strategy construction, free from statistical assumptions, for any scale of component strategies, even infinite, such that it meets the determined criterion. Finally, we test the proposed strategy along with its accelerated variant and some other multi-strategies. The numerical experiments show results in favor of the proposed strategies, albeit with small tradeoffs in their Sharpe ratios, in which their cumulative wealths eventually exceed those of the best component strategies while the accelerated strategy significantly improves performance.
Authors: Jesse Bowers, Steve Culpepper
Abstract: Latent Class Models (LCMs) are used to cluster multivariate categorical data, commonly used to interpret survey responses. We propose a novel Bayesian model called the Equivalence Set Restricted Latent Class Model (ESRLCM). This model identifies clusters who have common item response probabilities, and does so more generically than traditional restricted latent attribute models. We verify the identifiability of ESRLCMs, and demonstrate the effectiveness in both simulations and real-world applications.
Authors: Ou Tan, David S. Greenfield, Brian A. Francis, Rohit Varma, Joel S. Schuman, David Huang, Dongseok Choi
Abstract: Precis: A hybrid deep-learning model combines NFL reflectance and other OCT parameters to improve glaucoma diagnosis. Objective: To investigate if a deep learning model could be used to combine nerve fiber layer (NFL) reflectance and other OCT parameters for glaucoma diagnosis. Patients and Methods: This is a prospective observational study where of 106 normal subjects and 164 perimetric glaucoma (PG) patients. Peripapillary NFL reflectance map, NFL thickness map, optic head analysis of disc, and macular ganglion cell complex thickness were obtained using spectral domain OCT. A hybrid deep learning model combined a fully connected network (FCN) and a convolution neural network (CNN) to develop and combine those OCT maps and parameters to distinguish normal and PG eyes. Two deep learning models were compared based on whether the NFL reflectance map was used as part of the input or not. Results: The hybrid deep learning model with reflectance achieved 0.909 sensitivity at 99% specificity and 0.926 at 95%. The overall accuracy was 0.948 with 0.893 sensitivity and 1.000 specificity, and the AROC was 0.979, which is significantly better than the logistic regression models (p < 0.001). The second best model is the hybrid deep learning model w/o reflectance, which also had significantly higher AROC than logistic regression models (p < 0.001). Logistic regression with reflectance model had slightly higher AROC or sensitivity than the other logistic regression model without reflectance (p = 0.024). Conclusions: Hybrid deep learning model significantly improved the diagnostic accuracy, without or without NFL reflectance. Hybrid deep learning model, combining reflectance/NFL thickness/GCC thickness/ONH parameter, may be a practical model for glaucoma screen purposes.
Authors: Wei Li, William Bishop, Alice Li, Chris Rawles, Folawiyo Campbell-Ajala, Divya Tyamagundlu, Oriana Riva
Abstract: Autonomous agents that control computer interfaces to accomplish human tasks are emerging. Leveraging LLMs to power such agents has been of special interest, but unless fine-tuned on human-collected task demonstrations, performance is still relatively low. In this work we study whether fine-tuning alone is a viable approach for building real-world computer control agents. %In particularly, we investigate how performance measured on both high and low-level tasks in domain and out of domain scales as more training data is collected. To this end we collect and release a new dataset, AndroidControl, consisting of 15,283 demonstrations of everyday tasks with Android apps. Compared to existing datasets, each AndroidControl task instance includes both high and low-level human-generated instructions, allowing us to explore the level of task complexity an agent can handle. Moreover, AndroidControl is the most diverse computer control dataset to date, including 15,283 unique tasks over 833 Android apps, thus allowing us to conduct in-depth analysis of the model performance in and out of the domain of the training data. Using the dataset, we find that when tested in domain fine-tuned models outperform zero and few-shot baselines and scale in such a way that robust performance might feasibly be obtained simply by collecting more data. Out of domain, performance scales significantly more slowly and suggests that in particular for high-level tasks, fine-tuning on more data alone may be insufficient for achieving robust out-of-domain performance.
Authors: Jackie Lok, Rishi Sonthalia, Elizaveta Rebrova
Abstract: We study the discrete dynamics of mini-batch gradient descent for least squares regression when sampling without replacement. We show that the dynamics and generalization error of mini-batch gradient descent depends on a sample cross-covariance matrix $Z$ between the original features $X$ and a set of new features $\widetilde{X}$, in which each feature is modified by the mini-batches that appear before it during the learning process in an averaged way. Using this representation, we rigorously establish that the dynamics of mini-batch and full-batch gradient descent agree up to leading order with respect to the step size using the linear scaling rule. We also study discretization effects that a continuous-time gradient flow analysis cannot detect, and show that mini-batch gradient descent converges to a step-size dependent solution, in contrast with full-batch gradient descent. Finally, we investigate the effects of batching, assuming a random matrix model, by using tools from free probability theory to numerically compute the spectrum of $Z$.
Authors: Fanyou Wu, Weijie Xu, Chandan K. Reddy, Srinivasan H. Sengamedu
Abstract: In this study, we tackle the challenge of inadequate and costly training data that has hindered the development of conversational question answering (ConvQA) systems. Enterprises have a large corpus of diverse internal documents. Instead of relying on a searching engine, a more compelling approach for people to comprehend these documents is to create a dialogue system. In this paper, we propose a robust dialog synthesising method. We learn the segmentation of data for the dialog task instead of using segmenting at sentence boundaries. The synthetic dataset generated by our proposed method achieves superior quality when compared to WikiDialog, as assessed through machine and human evaluations. By employing our inpainted data for ConvQA retrieval system pre-training, we observed a notable improvement in performance across OR-QuAC benchmarks.
Authors: Lei Liu, Xiaoyan Yang, Junchi Lei, Xiaoyang Liu, Yue Shen, Zhiqiang Zhang, Peng Wei, Jinjie Gu, Zhixuan Chu, Zhan Qin, Kui Ren
Abstract: Large language models (LLMs), such as GPT series models, have received substantial attention due to their impressive capabilities for generating and understanding human-level language. More recently, LLMs have emerged as an innovative and powerful adjunct in the medical field, transforming traditional practices and heralding a new era of enhanced healthcare services. This survey provides a comprehensive overview of Medical Large Language Models (Med-LLMs), outlining their evolution from general to the medical-specific domain (i.e, Technology and Application), as well as their transformative impact on healthcare (e.g., Trustworthiness and Safety). Concretely, starting from the fundamental history and technology of LLMs, we first delve into the progressive adaptation and refinements of general LLM models in the medical domain, especially emphasizing the advanced algorithms that boost the LLMs' performance in handling complicated medical environments, including clinical reasoning, knowledge graph, retrieval-augmented generation, human alignment, and multi-modal learning. Secondly, we explore the extensive applications of Med-LLMs across domains such as clinical decision support, report generation, and medical education, illustrating their potential to streamline healthcare services and augment patient outcomes. Finally, recognizing the imperative and responsible innovation, we discuss the challenges of ensuring fairness, accountability, privacy, and robustness in Med-LLMs applications. Finally, we conduct a concise discussion for anticipating possible future trajectories of Med-LLMs, identifying avenues for the prudent expansion of Med-LLMs. By consolidating above-mentioned insights, this review seeks to provide a comprehensive investigation of the potential strengths and limitations of Med-LLMs for professionals and researchers, ensuring a responsible landscape in the healthcare setting.
Authors: Satoshi Yamamori, Jun Morimoto
Abstract: In this study, we propose the use of the phase-amplitude reduction method to construct an imitation learning framework. Imitating human movement trajectories is recognized as a promising strategy for generating a range of human-like robot movements. Unlike previous dynamical system-based imitation learning approaches, our proposed method allows the robot not only to imitate a limit cycle trajectory but also to replicate the transient movement from the initial or disturbed state to the limit cycle. Consequently, our method offers a safer imitation learning approach that avoids generating unpredictable motions immediately after disturbances or from a specified initial state. We first validated our proposed method by reconstructing a simple limit-cycle attractor. We then compared the proposed approach with a conventional method on a lemniscate trajectory tracking task with a simulated robot arm. Our findings confirm that our proposed method can more accurately generate transient movements to converge on a target periodic attractor compared to the previous standard approach. Subsequently, we applied our method to a real robot arm to imitate periodic human movements.
Authors: Fang Chen, Gourav Datta, Mujahid Al Rafi, Hyeran Jeon, Meng Tang
Abstract: The expansion of neural network sizes and the enhancement of image resolution through modern camera sensors result in heightened memory and power demands for neural networks. Reducing peak memory, which is the maximum memory consumed during the execution of a neural network, is critical to deploy neural networks on edge devices with limited memory budget. A naive approach to reducing peak memory is aggressive down-sampling of feature maps via pooling with large stride, which often results in unacceptable degradation in network performance. To mitigate this problem, we propose residual encoded distillation (ReDistill) for peak memory reduction in a teacher-student framework, in which a student network with less memory is derived from the teacher network using aggressive pooling. We apply our distillation method to multiple problems in computer vision including image classification and diffusion based image generation. For image classification, our method yields 2x-3.2x measured peak memory on an edge GPU with negligible degradation in accuracy for most CNN based architectures. Additionally, our method yields improved test accuracy for tiny vision transformer (ViT) based models distilled from large CNN based teacher architectures. For diffusion-based image generation, our proposed distillation method yields a denoising network with 4x lower theoretical peak memory while maintaining decent diversity and fidelity for image generation. Experiments demonstrate our method's superior performance compared to other feature-based and response-based distillation methods.
Authors: Devichand Budagam, Ayush Kumar, Sayan Ghosh, Anuj Shrivastav, Azamat Zhanatuly Imanbayev, Iskander Rafailovich Akhmetov, Dmitrii Kaplun, Sergey Antonov, Artem Rychenkov, Gleb Cyganov, Aleksandr Sinitca
Abstract: Teeth segmentation and recognition are critical in various dental applications and dental diagnosis. Automatic and accurate segmentation approaches have been made possible by integrating deep learning models. Although teeth segmentation has been studied in the past, only some techniques were able to effectively classify and segment teeth simultaneously. This article offers a pipeline of two deep learning models, U-Net and YOLOv8, which results in BB-UNet, a new architecture for the classification and segmentation of teeth on panoramic X-rays that is efficient and reliable. We have improved the quality and reliability of teeth segmentation by utilising the YOLOv8 and U-Net capabilities. The proposed networks have been evaluated using the mean average precision (mAP) and dice coefficient for YOLOv8 and BB-UNet, respectively. We have achieved a 3\% increase in mAP score for teeth classification compared to existing methods, and a 10-15\% increase in dice coefficient for teeth segmentation compared to U-Net across different categories of teeth. A new Dental dataset was created based on UFBA-UESC dataset with Bounding-Box and Polygon annotations of 425 dental panoramic X-rays. The findings of this research pave the way for a wider adoption of object detection models in the field of dental diagnosis.
Authors: Jingyao Li, Pengguang Chen, Sitong Wu, Chuanyang Zheng, Hong Xu, Jiaya Jia
Abstract: The emergence of Large Language Models (LLMs) has improved the prospects for robotic tasks. However, existing benchmarks are still limited to single tasks with limited generalization capabilities. In this work, we introduce a comprehensive benchmark and an autonomous learning framework, RoboCoder aimed at enhancing the generalization capabilities of robots in complex environments. Unlike traditional methods that focus on single-task learning, our research emphasizes the development of a general-purpose robotic coding algorithm that enables robots to leverage basic skills to tackle increasingly complex tasks. The newly proposed benchmark consists of 80 manually designed tasks across 7 distinct entities, testing the models' ability to learn from minimal initial mastery. Initial testing revealed that even advanced models like GPT-4 could only achieve a 47% pass rate in three-shot scenarios with humanoid entities. To address these limitations, the RoboCoder framework integrates Large Language Models (LLMs) with a dynamic learning system that uses real-time environmental feedback to continuously update and refine action codes. This adaptive method showed a remarkable improvement, achieving a 36% relative improvement. Our codes will be released.
Authors: Rajarshi Saha, Mohamed Seif, Michal Yemini, Andrea J. Goldsmith, H. Vincent Poor
Abstract: We consider the problem of privately estimating the mean of vectors distributed across different nodes of an unreliable wireless network, where communications between nodes can fail intermittently. We adopt a semi-decentralized setup, wherein to mitigate the impact of intermittently connected links, nodes can collaborate with their neighbors to compute a local consensus, which they relay to a central server. In such a setting, the communications between any pair of nodes must ensure that the privacy of the nodes is rigorously maintained to prevent unauthorized information leakage. We study the tradeoff between collaborative relaying and privacy leakage due to the data sharing among nodes and, subsequently, propose PriCER: Private Collaborative Estimation via Relaying -- a differentially private collaborative algorithm for mean estimation to optimize this tradeoff. The privacy guarantees of PriCER arise (i) implicitly, by exploiting the inherent stochasticity of the flaky network connections, and (ii) explicitly, by adding Gaussian perturbations to the estimates exchanged by the nodes. Local and central privacy guarantees are provided against eavesdroppers who can observe different signals, such as the communications amongst nodes during local consensus and (possibly multiple) transmissions from the relays to the central server. We substantiate our theoretical findings with numerical simulations. Our implementation is available at https://github.com/rajarshisaha95/private-collaborative-relaying.
URLs: https://github.com/rajarshisaha95/private-collaborative-relaying.
Authors: Wei Jiang, Sifan Yang, Wenhao Yang, Yibo Wang, Yuanyu Wan, Lijun Zhang
Abstract: This paper investigates projection-free algorithms for stochastic constrained multi-level optimization. In this context, the objective function is a nested composition of several smooth functions, and the decision set is closed and convex. Existing projection-free algorithms for solving this problem suffer from two limitations: 1) they solely focus on the gradient mapping criterion and fail to match the optimal sample complexities in unconstrained settings; 2) their analysis is exclusively applicable to non-convex functions, without considering convex and strongly convex objectives. To address these issues, we introduce novel projection-free variance reduction algorithms and analyze their complexities under different criteria. For gradient mapping, our complexities improve existing results and match the optimal rates for unconstrained problems. For the widely-used Frank-Wolfe gap criterion, we provide theoretical guarantees that align with those for single-level problems. Additionally, by using a stage-wise adaptation, we further obtain complexities for convex and strongly convex functions. Finally, numerical experiments on different tasks demonstrate the effectiveness of our methods.
Authors: Kai L. Polsterer, Bernd Doser, Andreas Fehlner, Sebastian Trujillo-Gomez
Abstract: Simulations are the best approximation to experimental laboratories in astrophysics and cosmology. However, the complexity, richness, and large size of their outputs severely limit the interpretability of their predictions. We describe a new, unbiased, and machine learning based approach to obtaining useful scientific insights from a broad range of simulations. The method can be used on today's largest simulations and will be essential to solve the extreme data exploration and analysis challenges posed by the Exascale era. Furthermore, this concept is so flexible, that it will also enable explorative access to observed data. Our concept is based on applying nonlinear dimensionality reduction to learn compact representations of the data in a low-dimensional space. The simulation data is projected onto this space for interactive inspection, visual interpretation, sample selection, and local analysis. We present a prototype using a rotational invariant hyperspherical variational convolutional autoencoder, utilizing a power distribution in the latent space, and trained on galaxies from IllustrisTNG simulation. Thereby, we obtain a natural Hubble tuning fork like similarity space that can be visualized interactively on the surface of a sphere by exploiting the power of HiPS tilings in Aladin Lite.
Authors: Yongtuo Liu, Sara Magliacane, Miltiadis Kofinas, Efstratios Gavves
Abstract: Hybrid dynamical systems are prevalent in science and engineering to express complex systems with continuous and discrete states. To learn the laws of systems, all previous methods for equation discovery in hybrid systems follow a two-stage paradigm, i.e. they first group time series into small cluster fragments and then discover equations in each fragment separately through methods in non-hybrid systems. Although effective, these methods do not fully take advantage of the commonalities in the shared dynamics of multiple fragments that are driven by the same equations. Besides, the two-stage paradigm breaks the interdependence between categorizing and representing dynamics that jointly form hybrid systems. In this paper, we reformulate the problem and propose an end-to-end learning framework, i.e. Amortized Equation Discovery (AMORE), to jointly categorize modes and discover equations characterizing the dynamics of each mode by all segments of the mode. Experiments on four hybrid and six non-hybrid systems show that our method outperforms previous methods on equation discovery, segmentation, and forecasting.
Authors: Ons Aouedi, Thai-Hoc Vu, Alessio Sacco, Dinh C. Nguyen, Kandaraj Piamrat, Guido Marchetto, Quoc-Viet Pham
Abstract: The rapid advances in the Internet of Things (IoT) have promoted a revolution in communication technology and offered various customer services. Artificial intelligence (AI) techniques have been exploited to facilitate IoT operations and maximize their potential in modern application scenarios. In particular, the convergence of IoT and AI has led to a new networking paradigm called Intelligent IoT (IIoT), which has the potential to significantly transform businesses and industrial domains. This paper presents a comprehensive survey of IIoT by investigating its significant applications in mobile networks, as well as its associated security and privacy issues. Specifically, we explore and discuss the roles of IIoT in a wide range of key application domains, from smart healthcare and smart cities to smart transportation and smart industries. Through such extensive discussions, we investigate important security issues in IIoT networks, where network attacks, confidentiality, integrity, and intrusion are analyzed, along with a discussion of potential countermeasures. Privacy issues in IIoT networks were also surveyed and discussed, including data, location, and model privacy leakage. Finally, we outline several key challenges and highlight potential research directions in this important area.
Authors: Maximilien Dreveton, Charbel Chucri, Matthias Grossglauser, Patrick Thiran
Abstract: The metric backbone of a weighted graph is the union of all-pairs shortest paths. It is obtained by removing all edges $(u,v)$ that are not the shortest path between $u$ and $v$. In networks with well-separated communities, the metric backbone tends to preserve many inter-community edges, because these edges serve as bridges connecting two communities, but tends to delete many intra-community edges because the communities are dense. This suggests that the metric backbone would dilute or destroy the community structure of the network. However, this is not borne out by prior empirical work, which instead showed that the metric backbone of real networks preserves the community structure of the original network well. In this work, we analyze the metric backbone of a broad class of weighted random graphs with communities, and we formally prove the robustness of the community structure with respect to the deletion of all the edges that are not in the metric backbone. An empirical comparison of several graph sparsification techniques confirms our theoretical finding and shows that the metric backbone is an efficient sparsifier in the presence of communities.
Authors: Beyza Turkmen, Ramazan Tarik Turksoy, Hasan Saribas, Hakan Cevikalp
Abstract: This paper introduces a novel approach for click-through rate (CTR) prediction within industrial recommender systems, addressing the inherent challenges of numerical imbalance and geometric asymmetry. These challenges stem from imbalanced datasets, where positive (click) instances occur less frequently than negatives (non-clicks), and geometrically asymmetric distributions, where positive samples exhibit visually coherent patterns while negatives demonstrate greater diversity. To address these challenges, we have used a deep neural network classifier that uses the polyhedral conic functions. This classifier is similar to the one-class classifiers in spirit and it returns compact polyhedral acceptance regions to separate the positive class samples from the negative samples that have diverse distributions. Extensive experiments have been conducted to test the proposed approach using state-of-the-art (SOTA) CTR prediction models on four public datasets, namely Criteo, Avazu, MovieLens and Frappe. The experimental evaluations highlight the superiority of our proposed approach over Binary Cross Entropy (BCE) Loss, which is widely used in CTR prediction tasks.
Authors: Ryota Watanabe, Takanori Ishii, Yuji Hirono, Hirokazu Maruoka
Abstract: Finding self-similarity is a key step for understanding the governing law behind complex physical phenomena. Traditional methods for identifying self-similarity often rely on specific models, which can introduce significant bias. In this paper, we present a novel neural network-based approach that discovers self-similarity directly from observed data, without presupposing any models. The presence of self-similar solutions in a physical problem signals that the governing law contains a function whose arguments are given by power-law monomials of physical parameters, which are characterized by power-law exponents. The basic idea is to enforce such particular forms structurally in a neural network in a parametrized way. We train the neural network model using the observed data, and when the training is successful, we can extract the power exponents that characterize scale-transformation symmetries of the physical problem. We demonstrate the effectiveness of our method with both synthetic and experimental data, validating its potential as a robust, model-independent tool for exploring self-similarity in complex systems.
Authors: Adrian Galdran
Abstract: This paper describes a solution for the MedAI competition, in which participants were required to segment both polyps and surgical instruments from endoscopic images. Our approach relies on a double encoder-decoder neural network which we have previously applied for polyp segmentation, but with a series of enhancements: a more powerful encoder architecture, an improved optimization procedure, and the post-processing of segmentations based on tempered model ensembling. Experimental results show that our method produces segmentations that show a good agreement with manual delineations provided by medical experts.
Authors: Adrian Galdran, Miguel A. Gonz\'alez Ballester
Abstract: As current computing capabilities increase, modern machine learning and computer vision system tend to increase in complexity, mostly by means of larger models and advanced optimization strategies. Although often neglected, in many problems there is also much to be gained by considering potential improvements in understanding and better leveraging already-available training data, including annotations. This so-called data-centric approach can lead to substantial performance increases, sometimes beyond what can be achieved by larger models. In this paper we adopt such an approach for the task of justifiable glaucoma screening from retinal images. In particular, we focus on how to combine information from multiple annotators of different skills into a tailored label smoothing scheme that allows us to better employ a large collection of fundus images, instead of discarding samples suffering from inter-rater variability. Internal validation results indicate that our bespoke label smoothing approach surpasses the performance of a standard resnet50 model and also the same model trained with conventional label smoothing techniques, in particular for the multi-label scenario of predicting clinical reasons of glaucoma likelihood in a highly imbalanced screening context. Our code is made available at github.com/agaldran/justraigs .
Authors: Zhehua Zhou, Xuan Xie, Jiayang Song, Zhan Shu, Lei Ma
Abstract: Although deep reinforcement learning has demonstrated impressive achievements in controlling various autonomous systems, e.g., autonomous vehicles or humanoid robots, its inherent reliance on random exploration raises safety concerns in their real-world applications. To improve system safety during the learning process, a variety of Safe Reinforcement Learning (SRL) algorithms have been proposed, which usually incorporate safety constraints within the Constrained Markov Decision Process (CMDP) framework. However, the efficacy of these SRL algorithms often relies on accurate function approximations, a task that is notably challenging to accomplish in the early learning stages due to data insufficiency. To address this problem, we introduce a Genralizable Safety enhancer (GenSafe) in this work. Leveraging model order reduction techniques, we first construct a Reduced Order Markov Decision Process (ROMDP) as a low-dimensional proxy for the original cost function in CMDP. Then, by solving ROMDP-based constraints that are reformulated from the original cost constraints, the proposed GenSafe refines the actions taken by the agent to enhance the possibility of constraint satisfaction. Essentially, GenSafe acts as an additional safety layer for SRL algorithms, offering broad compatibility across diverse SRL approaches. The performance of GenSafe is examined on multiple SRL benchmark problems. The results show that, it is not only able to improve the safety performance, especially in the early learning phases, but also to maintain the task performance at a satisfactory level.
Authors: Christoph Jansen (Lancaster University Leipzig), Georg Schollmeyer (Ludwig-Maximilians-Universit\"at M\"unchen), Julian Rodemann (Ludwig-Maximilians-Universit\"at M\"unchen), Hannah Blocher (Ludwig-Maximilians-Universit\"at M\"unchen), Thomas Augustin (Ludwig-Maximilians-Universit\"at M\"unchen)
Abstract: Given the vast number of classifiers that have been (and continue to be) proposed, reliable methods for comparing them are becoming increasingly important. The desire for reliability is broken down into three main aspects: (1) Comparisons should allow for different quality metrics simultaneously. (2) Comparisons should take into account the statistical uncertainty induced by the choice of benchmark suite. (3) The robustness of the comparisons under small deviations in the underlying assumptions should be verifiable. To address (1), we propose to compare classifiers using a generalized stochastic dominance ordering (GSD) and present the GSD-front as an information-efficient alternative to the classical Pareto-front. For (2), we propose a consistent statistical estimator for the GSD-front and construct a statistical test for whether a (potentially new) classifier lies in the GSD-front of a set of state-of-the-art classifiers. For (3), we relax our proposed test using techniques from robust statistics and imprecise probabilities. We illustrate our concepts on the benchmark suite PMLB and on the platform OpenML.
Authors: Lin Liu, Jian Zhao, Cheng Hu, Zhengtao Cao, Youpeng Zhao, Zhenbin Ye, Meng Meng, Wenjun Wang, Zhaofeng He, Houqiang Li, Xia Lin, Lanxiao Huang
Abstract: Games are widely used as research environments for multi-agent reinforcement learning (MARL), but they pose three significant challenges: limited customization, high computational demands, and oversimplification. To address these issues, we introduce the first publicly available map editor for the popular mobile game Honor of Kings and design a lightweight environment, Mini Honor of Kings (Mini HoK), for researchers to conduct experiments. Mini HoK is highly efficient, allowing experiments to be run on personal PCs or laptops while still presenting sufficient challenges for existing MARL algorithms. We have tested our environment on common MARL algorithms and demonstrated that these algorithms have yet to find optimal solutions within this environment. This facilitates the dissemination and advancement of MARL methods within the research community. Additionally, we hope that more researchers will leverage the Honor of Kings map editor to develop innovative and scientifically valuable new maps. Our code and user manual are available at: https://github.com/tencent-ailab/mini-hok.
Authors: Quentin Delfosse, Jannis Bl\"uml, Bjarne Gregori, Kristian Kersting
Abstract: Artificial agents' adaptability to novelty and alignment with intended behavior is crucial for their effective deployment. Reinforcement learning (RL) leverages novelty as a means of exploration, yet agents often struggle to handle novel situations, hindering generalization. To address these issues, we propose HackAtari, a framework introducing controlled novelty to the most common RL benchmark, the Atari Learning Environment. HackAtari allows us to create novel game scenarios (including simplification for curriculum learning), to swap the game elements' colors, as well as to introduce different reward signals for the agent. We demonstrate that current agents trained on the original environments include robustness failures, and evaluate HackAtari's efficacy in enhancing RL agents' robustness and aligning behavior through experiments using C51 and PPO. Overall, HackAtari can be used to improve the robustness of current and future RL algorithms, allowing Neuro-Symbolic RL, curriculum RL, causal RL, as well as LLM-driven RL. Our work underscores the significance of developing interpretable in RL agents.
Authors: Tom Huix, Anna Korba, Alain Durmus, Eric Moulines
Abstract: Variational inference (VI) is a popular approach in Bayesian inference, that looks for the best approximation of the posterior distribution within a parametric family, minimizing a loss that is typically the (reverse) Kullback-Leibler (KL) divergence. Despite its empirical success, the theoretical properties of VI have only received attention recently, and mostly when the parametric family is the one of Gaussians. This work aims to contribute to the theoretical study of VI in the non-Gaussian case by investigating the setting of Mixture of Gaussians with fixed covariance and constant weights. In this view, VI over this specific family can be casted as the minimization of a Mollified relative entropy, i.e. the KL between the convolution (with respect to a Gaussian kernel) of an atomic measure supported on Diracs, and the target distribution. The support of the atomic measure corresponds to the localization of the Gaussian components. Hence, solving variational inference becomes equivalent to optimizing the positions of the Diracs (the particles), which can be done through gradient descent and takes the form of an interacting particle system. We study two sources of error of variational inference in this context when optimizing the mollified relative entropy. The first one is an optimization result, that is a descent lemma establishing that the algorithm decreases the objective at each iteration. The second one is an approximation error, that upper bounds the objective between an optimal finite mixture and the target distribution.
Authors: Alameen Najjar
Abstract: We empirically demonstrate that a transformer pre-trained on country-scale unlabeled human mobility data learns embeddings capable, through fine-tuning, of developing a deep understanding of the target geography and its corresponding mobility patterns. Utilizing an adaptation framework, we evaluate the performance of our pre-trained embeddings in encapsulating a broad spectrum of concepts directly and indirectly related to human mobility. This includes basic notions, such as geographic location and distance, and extends to more complex constructs, such as administrative divisions and land cover. Our extensive empirical analysis reveals a substantial performance boost gained from pre-training, reaching up to 38% in tasks such as tree-cover regression. We attribute this result to the ability of the pre-training to uncover meaningful patterns hidden in the raw data, beneficial for modeling relevant high-level concepts. The pre-trained embeddings emerge as robust representations of regions and trajectories, potentially valuable for a wide range of downstream applications.
Authors: Danielle Kapon, Michael Fire, Shai Gordin
Abstract: Cuneiform tablets, emerging in ancient Mesopotamia around the late fourth millennium BCE, represent one of humanity's earliest writing systems. Characterized by wedge-shaped marks on clay tablets, these artifacts provided insight into Mesopotamian civilization across various domains. Traditionally, the analysis and dating of these tablets rely on subjective assessment of shape and writing style, leading to uncertainties in pinpointing their exact temporal origins. Recent advances in digitization have revolutionized the study of cuneiform by enhancing accessibility and analytical capabilities. Our research uniquely focuses on the silhouette of tablets as significant indicators of their historical periods, diverging from most studies that concentrate on textual content. Utilizing an unprecedented dataset of over 94,000 images from the Cuneiform Digital Library Initiative collection, we apply deep learning methods to classify cuneiform tablets, covering over 3,000 years of history. By leveraging statistical, computational techniques, and generative modeling through Variational Auto-Encoders (VAEs), we achieve substantial advancements in the automatic classification of these ancient documents, focusing on the tablets' silhouettes as key predictors. Our classification approach begins with a Decision Tree using height-to-width ratios and culminates with a ResNet50 model, achieving a 61% macro F1-score for tablet silhouettes. Moreover, we introduce novel VAE-powered tools to enhance explainability and enable researchers to explore changes in tablet shapes across different eras and genres. This research contributes to document analysis and diplomatics by demonstrating the value of large-scale data analysis combined with statistical methods. These insights offer valuable tools for historians and epigraphists, enriching our understanding of cuneiform tablets and the cultures that produced them.
Authors: Kimia Nadjahi, Kristjan Greenewald, Rickard Br\"uel Gabrielsson, Justin Solomon
Abstract: The ability of machine learning (ML) algorithms to generalize well to unseen data has been studied through the lens of information theory, by bounding the generalization error with the input-output mutual information (MI), i.e., the MI between the training data and the learned hypothesis. Yet, these bounds have limited practicality for modern ML applications (e.g., deep learning), due to the difficulty of evaluating MI in high dimensions. Motivated by recent findings on the compressibility of neural networks, we consider algorithms that operate by slicing the parameter space, i.e., trained on random lower-dimensional subspaces. We introduce new, tighter information-theoretic generalization bounds tailored for such algorithms, demonstrating that slicing improves generalization. Our bounds offer significant computational and statistical advantages over standard MI bounds, as they rely on scalable alternative measures of dependence, i.e., disintegrated mutual information and $k$-sliced mutual information. Then, we extend our analysis to algorithms whose parameters do not need to exactly lie on random subspaces, by leveraging rate-distortion theory. This strategy yields generalization bounds that incorporate a distortion term measuring model compressibility under slicing, thereby tightening existing bounds without compromising performance or requiring model compression. Building on this, we propose a regularization scheme enabling practitioners to control generalization through compressibility. Finally, we empirically validate our results and achieve the computation of non-vacuous information-theoretic generalization bounds for neural networks, a task that was previously out of reach.
Authors: Ernesto Araya, Mihai Cucuringu, Hemant Tyagi
Abstract: Given an undirected measurement graph $\mathcal{H} = ([n], \mathcal{E})$, the classical angular synchronization problem consists of recovering unknown angles $\theta_1^*,\dots,\theta_n^*$ from a collection of noisy pairwise measurements of the form $(\theta_i^* - \theta_j^*) \mod 2\pi$, for all $\{i,j\} \in \mathcal{E}$. This problem arises in a variety of applications, including computer vision, time synchronization of distributed networks, and ranking from pairwise comparisons. In this paper, we consider a dynamic version of this problem where the angles, and also the measurement graphs evolve over $T$ time points. Assuming a smoothness condition on the evolution of the latent angles, we derive three algorithms for joint estimation of the angles over all time points. Moreover, for one of the algorithms, we establish non-asymptotic recovery guarantees for the mean-squared error (MSE) under different statistical models. In particular, we show that the MSE converges to zero as $T$ increases under milder conditions than in the static setting. This includes the setting where the measurement graphs are highly sparse and disconnected, and also when the measurement noise is large and can potentially increase with $T$. We complement our theoretical results with experiments on synthetic data.
Authors: Lukas Burk, John Zobolas, Bernd Bischl, Andreas Bender, Marvin N. Wright, Raphael Sonabend
Abstract: This work presents the first large-scale neutral benchmark experiment focused on single-event, right-censored, low-dimensional survival data. Benchmark experiments are essential in methodological research to scientifically compare new and existing model classes through proper empirical evaluation. Existing benchmarks in the survival literature are often narrow in scope, focusing, for example, on high-dimensional data. Additionally, they may lack appropriate tuning or evaluation procedures, or are qualitative reviews, rather than quantitative comparisons. This comprehensive study aims to fill the gap by neutrally evaluating a broad range of methods and providing generalizable conclusions. We benchmark 18 models, ranging from classical statistical approaches to many common machine learning methods, on 32 publicly available datasets. The benchmark tunes for both a discrimination measure and a proper scoring rule to assess performance in different settings. Evaluating on 8 survival metrics, we assess discrimination, calibration, and overall predictive performance of the tested models. Using discrimination measures, we find that no method significantly outperforms the Cox model. However, (tuned) Accelerated Failure Time models were able to achieve significantly better results with respect to overall predictive performance as measured by the right-censored log-likelihood. Machine learning methods that performed comparably well include Oblique Random Survival Forests under discrimination, and Cox-based likelihood-boosting under overall predictive performance. We conclude that for predictive purposes in the standard survival analysis setting of low-dimensional, right-censored data, the Cox Proportional Hazards model remains a simple and robust method, sufficient for practitioners.
Authors: Shubham Kumar Nigam, Anurag Sharma, Danush Khanna, Noel Shallum, Kripabandhu Ghosh, Arnab Bhattacharya
Abstract: In the era of Large Language Models (LLMs), predicting judicial outcomes poses significant challenges due to the complexity of legal proceedings and the scarcity of expert-annotated datasets. Addressing this, we introduce \textbf{Pred}iction with \textbf{Ex}planation (\texttt{PredEx}), the largest expert-annotated dataset for legal judgment prediction and explanation in the Indian context, featuring over 15,000 annotations. This groundbreaking corpus significantly enhances the training and evaluation of AI models in legal analysis, with innovations including the application of instruction tuning to LLMs. This method has markedly improved the predictive accuracy and explanatory depth of these models for legal judgments. We employed various transformer-based models, tailored for both general and Indian legal contexts. Through rigorous lexical, semantic, and expert assessments, our models effectively leverage \texttt{PredEx} to provide precise predictions and meaningful explanations, establishing it as a valuable benchmark for both the legal profession and the NLP community.
Authors: Dimitris Oikonomou, Nicolas Loizou
Abstract: Stochastic gradient descent with momentum, also known as Stochastic Heavy Ball method (SHB), is one of the most popular algorithms for solving large-scale stochastic optimization problems in various machine learning tasks. In practical scenarios, tuning the step-size and momentum parameters of the method is a prohibitively expensive and time-consuming process. In this work, inspired by the recent advantages of stochastic Polyak step-size in the performance of stochastic gradient descent (SGD), we propose and explore new Polyak-type variants suitable for the update rule of the SHB method. In particular, using the Iterate Moving Average (IMA) viewpoint of SHB, we propose and analyze three novel step-size selections: MomSPS$_{\max}$, MomDecSPS, and MomAdaSPS. For MomSPS$_{\max}$, we provide convergence guarantees for SHB to a neighborhood of the solution for convex and smooth problems (without assuming interpolation). If interpolation is also satisfied, then using MomSPS$_{\max}$, SHB converges to the true solution at a fast rate matching the deterministic HB. The other two variants, MomDecSPS and MomAdaSPS, are the first adaptive step-sizes for SHB that guarantee convergence to the exact minimizer without prior knowledge of the problem parameters and without assuming interpolation. The convergence analysis of SHB is tight and obtains the convergence guarantees of SGD with stochastic Polyak step-sizes as a special case. We supplement our analysis with experiments that validate the theory and demonstrate the effectiveness and robustness of the new algorithms.
Authors: Luana Bulla, Aldo Gangemi, Misael Mongiov\`i
Abstract: The task of detecting moral values in text has significant implications in various fields, including natural language processing, social sciences, and ethical decision-making. Previously proposed supervised models often suffer from overfitting, leading to hyper-specialized moral classifiers that struggle to perform well on data from different domains. To address this issue, we introduce novel systems that leverage abstract concepts and common-sense knowledge acquired from Large Language Models and Natural Language Inference models during previous stages of training on multiple data sources. By doing so, we aim to develop versatile and robust methods for detecting moral values in real-world scenarios. Our approach uses the GPT 3.5 model as a zero-shot ready-made unsupervised multi-label classifier for moral values detection, eliminating the need for explicit training on labeled data. We compare it with a smaller NLI-based zero-shot model. The results show that the NLI approach achieves competitive results compared to the Davinci model. Furthermore, we conduct an in-depth investigation of the performance of supervised systems in the context of cross-domain multi-label moral value detection. This involves training supervised models on different domains to explore their effectiveness in handling data from different sources and comparing their performance with the unsupervised methods. Our contributions encompass a thorough analysis of both supervised and unsupervised methodologies for cross-domain value detection. We introduce the Davinci model as a state-of-the-art zero-shot unsupervised moral values classifier, pushing the boundaries of moral value detection without the need for explicit training on labeled data. Additionally, we perform a comparative evaluation of our approach with the supervised models, shedding light on their respective strengths and weaknesses.
Authors: Pietro Mazzaglia, Nicholas Backshall, Xiao Ma, Stephen James
Abstract: Joint space and task space control are the two dominant action modes for controlling robot arms within the robot learning literature. Actions in joint space provide precise control over the robot's pose, but tend to suffer from inefficient training; actions in task space boast data-efficient training but sacrifice the ability to perform tasks in confined spaces due to limited control over the full joint configuration. This work analyses the criteria for designing action spaces for robot manipulation and introduces ER (End-effector Redundancy), a novel action space formulation that, by addressing the redundancies present in the manipulator, aims to combine the advantages of both joint and task spaces, offering fine-grained comprehensive control with overactuated robot arms whilst achieving highly efficient robot learning. We present two implementations of ER, ERAngle (ERA) and ERJoint (ERJ), and we show that ERJ in particular demonstrates superior performance across multiple settings, especially when precise control over the robot configuration is required. We validate our results both in simulated and real robotic environments.
Authors: Takuhiro Kaneko
Abstract: Geometry-agnostic system identification is a technique for identifying the geometry and physical properties of an object from video sequences without any geometric assumptions. Recently, physics-augmented continuum neural radiance fields (PAC-NeRF) has demonstrated promising results for this technique by utilizing a hybrid Eulerian-Lagrangian representation, in which the geometry is represented by the Eulerian grid representations of NeRF, the physics is described by a material point method (MPM), and they are connected via Lagrangian particles. However, a notable limitation of PAC-NeRF is that its performance is sensitive to the learning of the geometry from the first frames owing to its two-step optimization. First, the grid representations are optimized with the first frames of video sequences, and then the physical properties are optimized through video sequences utilizing the fixed first-frame grid representations. This limitation can be critical when learning of the geometric structure is difficult, for example, in a few-shot (sparse view) setting. To overcome this limitation, we propose Lagrangian particle optimization (LPO), in which the positions and features of particles are optimized through video sequences in Lagrangian space. This method allows for the optimization of the geometric structure across the entire video sequence within the physical constraints imposed by the MPM. The experimental results demonstrate that the LPO is useful for geometric correction and physical identification in sparse-view settings.
Authors: Lars Hillebrand, Prabhupad Pradhan, Christian Bauckhage, Rafet Sifa
Abstract: We introduce "pointer-guided segment ordering" (SO), a novel pre-training technique aimed at enhancing the contextual understanding of paragraph-level text representations in large language models. Our methodology leverages a self-attention-driven pointer network to restore the original sequence of shuffled text segments, addressing the challenge of capturing the structural coherence and contextual dependencies within documents. This pre-training approach is complemented by a fine-tuning methodology that incorporates dynamic sampling, augmenting the diversity of training instances and improving sample efficiency for various downstream applications. We evaluate our method on a diverse set of datasets, demonstrating its efficacy in tasks requiring sequential text classification across scientific literature and financial reporting domains. Our experiments show that pointer-guided pre-training significantly enhances the model's ability to understand complex document structures, leading to state-of-the-art performance in downstream classification tasks.
Authors: Johannes M\"uller, Semih Cayci
Abstract: We study the error introduced by entropy regularization of infinite-horizon discrete discounted Markov decision processes. We show that this error decreases exponentially in the inverse regularization strength both in a weighted KL-divergence and in value with a problem-specific exponent. We provide a lower bound matching our upper bound up to a polynomial factor. Our proof relies on the correspondence of the solutions of entropy-regularized Markov decision processes with gradient flows of the unregularized reward with respect to a Riemannian metric common in natural policy gradient methods. Further, this correspondence allows us to identify the limit of the gradient flow as the generalized maximum entropy optimal policy, thereby characterizing the implicit bias of the Kakade gradient flow which corresponds to a time-continuous version of the natural policy gradient method. We use this to show that for entropy-regularized natural policy gradient methods the overall error decays exponentially in the square root of the number of iterations improving existing sublinear guarantees.
Authors: Andoni Rodriguez, Guy Amir, Davide Corsi, Cesar Sanchez, Guy Katz
Abstract: In recent years, Machine Learning (ML) models have achieved remarkable success in various domains. However, these models also tend to demonstrate unsafe behaviors, precluding their deployment in safety-critical systems. To cope with this issue, ample research focuses on developing methods that guarantee the safe behaviour of a given ML model. A prominent example is shielding which incorporates an external component (a "shield") that blocks unwanted behavior. Despite significant progress, shielding suffers from a main setback: it is currently geared towards properties encoded solely in propositional logics (e.g., LTL) and is unsuitable for richer logics. This, in turn, limits the widespread applicability of shielding in many real-world systems. In this work, we address this gap, and extend shielding to LTL modulo theories, by building upon recent advances in reactive synthesis modulo theories. This allowed us to develop a novel approach for generating shields conforming to complex safety specifications in these more expressive, logics. We evaluated our shields and demonstrate their ability to handle rich data with temporal dynamics. To the best of our knowledge, this is the first approach for synthesizing shields for such expressivity.
Authors: Yusuke Sakai, Hidetaka Kamigaito, Taro Watanabe
Abstract: It is very challenging to curate a dataset for language-specific knowledge and common sense in order to evaluate natural language understanding capabilities of language models. Due to the limitation in the availability of annotators, most current multilingual datasets are created through translation, which cannot evaluate such language-specific aspects. Therefore, we propose Multilingual CommonsenseQA (mCSQA) based on the construction process of CSQA but leveraging language models for a more efficient construction, e.g., by asking LM to generate questions/answers, refine answers and verify QAs followed by reduced human efforts for verification. Constructed dataset is a benchmark for cross-lingual language-transfer capabilities of multilingual LMs, and experimental results showed high language-transfer capabilities for questions that LMs could easily solve, but lower transfer capabilities for questions requiring deep knowledge or commonsense. This highlights the necessity of language-specific datasets for evaluation and training. Finally, our method demonstrated that multilingual LMs could create QA including language-specific knowledge, significantly reducing the dataset creation cost compared to manual creation. The datasets are available at https://huggingface.co/datasets/yusuke1997/mCSQA.
Authors: Jiaoda Li, Yifan Hou, Mrinmaya Sachan, Ryan Cotterell
Abstract: Large language models (LLMs) exhibit an intriguing ability to learn a novel task from in-context examples presented in a demonstration, termed in-context learning (ICL). Understandably, a swath of research has been dedicated to uncovering the theories underpinning ICL. One popular hypothesis explains ICL by task selection. LLMs identify the task based on the demonstration and generalize it to the prompt. Another popular hypothesis is that ICL is a form of meta-learning, i.e., the models learn a learning algorithm at pre-training time and apply it to the demonstration. Finally, a third hypothesis argues that LLMs use the demonstration to select a composition of tasks learned during pre-training to perform ICL. In this paper, we empirically explore these three hypotheses that explain LLMs' ability to learn in context with a suite of experiments derived from common text classification tasks. We invalidate the first two hypotheses with counterexamples and provide evidence in support of the last hypothesis. Our results suggest an LLM could learn a novel task in context via composing tasks learned during pre-training.
Authors: Akshay Bansal, Ian George, Soumik Ghosh, Jamie Sikora, Alice Zheng
Abstract: In many quantum tasks, there is an unknown quantum object that one wishes to learn. An online strategy for this task involves adaptively refining a hypothesis to reproduce such an object or its measurement statistics. A common evaluation metric for such a strategy is its regret, or roughly the accumulated errors in hypothesis statistics. We prove a sublinear regret bound for learning over general subsets of positive semidefinite matrices via the regularized-follow-the-leader algorithm and apply it to various settings where one wishes to learn quantum objects. For concrete applications, we present a sublinear regret bound for learning quantum states, effects, channels, interactive measurements, strategies, co-strategies, and the collection of inner products of pure states. Our bound applies to many other quantum objects with compact, convex representations. In proving our regret bound, we establish various matrix analysis results useful in quantum information theory. This includes a generalization of Pinsker's inequality for arbitrary positive semidefinite operators with possibly different traces, which may be of independent interest and applicable to more general classes of divergences.
Authors: Asad Raza, Matthias C. Caro, Jens Eisert, Sumeet Khatri
Abstract: Among recent insights into learning quantum states, online learning and shadow tomography procedures are notable for their ability to accurately predict expectation values even of adaptively chosen observables. In contrast to the state case, quantum process learning tasks with a similarly adaptive nature have received little attention. In this work, we investigate online learning tasks for quantum processes. Whereas online learning is infeasible for general quantum channels, we show that channels of bounded gate complexity as well as Pauli channels can be online learned in the regret and mistake-bounded models of online learning. In fact, we can online learn probabilistic mixtures of any exponentially large set of known channels. We also provide a provably sample-efficient shadow tomography procedure for Pauli channels. Our results extend beyond quantum channels to non-Markovian multi-time processes, with favorable regret and mistake bounds, as well as a shadow tomography procedure. We complement our online learning upper bounds with mistake as well as computational lower bounds. On the technical side, we make use of the multiplicative weights update algorithm, classical adaptive data analysis, and Bell sampling, as well as tools from the theory of quantum combs for multi-time quantum processes. Our work initiates a study of online learning for classes of quantum channels and, more generally, non-Markovian quantum processes. Given the importance of online learning for state shadow tomography, this may serve as a step towards quantum channel variants of adaptive shadow tomography.
Authors: Federico Barbero, Andrea Banino, Steven Kapturowski, Dharshan Kumaran, Jo\~ao G. M. Ara\'ujo, Alex Vitvitskyi, Razvan Pascanu, Petar Veli\v{c}kovi\'c
Abstract: We study how information propagates in decoder-only Transformers, which are the architectural backbone of most existing frontier large language models (LLMs). We rely on a theoretical signal propagation analysis -- specifically, we analyse the representations of the last token in the final layer of the Transformer, as this is the representation used for next-token prediction. Our analysis reveals a representational collapse phenomenon: we prove that certain distinct sequences of inputs to the Transformer can yield arbitrarily close representations in the final token. This effect is exacerbated by the low-precision floating-point formats frequently used in modern LLMs. As a result, the model is provably unable to respond to these sequences in different ways -- leading to errors in, e.g., tasks involving counting or copying. Further, we show that decoder-only Transformer language models can lose sensitivity to specific tokens in the input, which relates to the well-known phenomenon of over-squashing in graph neural networks. We provide empirical evidence supporting our claims on contemporary LLMs. Our theory also points to simple solutions towards ameliorating these issues.
Authors: Benedikt Alkin, Maximilian Beck, Korbinian P\"oppel, Sepp Hochreiter, Johannes Brandstetter
Abstract: Transformers are widely used as generic backbones in computer vision, despite initially introduced for natural language processing. Recently, the Long Short-Term Memory (LSTM) has been extended to a scalable and performant architecture - the xLSTM - which overcomes long-standing LSTM limitations via exponential gating and parallelizable matrix memory structure. In this report, we introduce Vision-LSTM (ViL), an adaption of the xLSTM building blocks to computer vision. ViL comprises a stack of xLSTM blocks where odd blocks process the sequence of patch tokens from top to bottom while even blocks go from bottom to top. Experiments show that ViL holds promise to be further deployed as new generic backbone for computer vision architectures.
Authors: Sergey Zakharov, Katherine Liu, Adrien Gaidon, Rares Ambrus
Abstract: The common trade-offs of state-of-the-art methods for multi-shape representation (a single model "packing" multiple objects) involve trading modeling accuracy against memory and storage. We show how to encode multiple shapes represented as continuous neural fields with a higher degree of precision than previously possible and with low memory usage. Key to our approach is a recursive hierarchical formulation that exploits object self-similarity, leading to a highly compressed and efficient shape latent space. Thanks to the recursive formulation, our method supports spatial and global-to-local latent feature fusion without needing to initialize and maintain auxiliary data structures, while still allowing for continuous field queries to enable applications such as raytracing. In experiments on a set of diverse datasets, we provide compelling qualitative results and demonstrate state-of-the-art multi-scene reconstruction and compression results with a single network per dataset.
Authors: Zeyue Tian, Zhaoyang Liu, Ruibin Yuan, Jiahao Pan, Xiaoqiang Huang, Qifeng Liu, Xu Tan, Qifeng Chen, Wei Xue, Yike Guo
Abstract: In this work, we systematically study music generation conditioned solely on the video. First, we present a large-scale dataset comprising 190K video-music pairs, including various genres such as movie trailers, advertisements, and documentaries. Furthermore, we propose VidMuse, a simple framework for generating music aligned with video inputs. VidMuse stands out by producing high-fidelity music that is both acoustically and semantically aligned with the video. By incorporating local and global visual cues, VidMuse enables the creation of musically coherent audio tracks that consistently match the video content through Long-Short-Term modeling. Through extensive experiments, VidMuse outperforms existing models in terms of audio quality, diversity, and audio-visual alignment. The code and datasets will be available at https://github.com/ZeyueT/VidMuse/.
Authors: Jinqi Luo, Tianjiao Ding, Kwan Ho Ryan Chan, Darshan Thaker, Aditya Chattopadhyay, Chris Callison-Burch, Ren\'e Vidal
Abstract: Large Language Models (LLMs) are being used for a wide variety of tasks. While they are capable of generating human-like responses, they can also produce undesirable output including potentially harmful information, racist or sexist language, and hallucinations. Alignment methods are designed to reduce such undesirable output, via techniques such as fine-tuning, prompt engineering, and representation engineering. However, existing methods face several challenges: some require costly fine-tuning for every alignment task; some do not adequately remove undesirable concepts, failing alignment; some remove benign concepts, lowering the linguistic capabilities of LLMs. To address these issues, we propose Parsimonious Concept Engineering (PaCE), a novel activation engineering framework for alignment. First, to sufficiently model the concepts, we construct a large-scale concept dictionary in the activation space, in which each atom corresponds to a semantic concept. Then, given any alignment task, we instruct a concept partitioner to efficiently annotate the concepts as benign or undesirable. Finally, at inference time, we decompose the LLM activations along the concept dictionary via sparse coding, to accurately represent the activation as a linear combination of the benign and undesirable components. By removing the latter ones from the activation, we reorient the behavior of LLMs towards alignment goals. We conduct experiments on tasks such as response detoxification, faithfulness enhancement, and sentiment revising, and show that PaCE achieves state-of-the-art alignment performance while maintaining linguistic capabilities.
Authors: Sebastian Loeschcke, Dan Wang, Christian Leth-Espensen, Serge Belongie, Michael J. Kastoryano, Sagie Benaim
Abstract: The ability to learn compact, high-quality, and easy-to-optimize representations for visual data is paramount to many applications such as novel view synthesis and 3D reconstruction. Recent work has shown substantial success in using tensor networks to design such compact and high-quality representations. However, the ability to optimize tensor-based representations, and in particular, the highly compact tensor train representation, is still lacking. This has prevented practitioners from deploying the full potential of tensor networks for visual data. To this end, we propose 'Prolongation Upsampling Tensor Train (PuTT)', a novel method for learning tensor train representations in a coarse-to-fine manner. Our method involves the prolonging or `upsampling' of a learned tensor train representation, creating a sequence of 'coarse-to-fine' tensor trains that are incrementally refined. We evaluate our representation along three axes: (1). compression, (2). denoising capability, and (3). image completion capability. To assess these axes, we consider the tasks of image fitting, 3D fitting, and novel view synthesis, where our method shows an improved performance compared to state-of-the-art tensor-based methods. For full results see our project webpage: https://sebulo.github.io/PuTT_website/
Authors: Partha P Mitra, Cl\'ement Sire
Abstract: Contemporary Artificial Intelligence (AI) stands on two legs: large training data corpora and many-parameter artificial neural networks (ANNs). The data corpora are needed to represent the complexity and heterogeneity of the world. The role of the networks is less transparent due to the obscure dependence of the network parameters and outputs on the training data and inputs. This raises problems, ranging from technical-scientific to legal-ethical. We hypothesize that a transparent approach to machine learning is possible without using networks at all. By generalizing a parameter-free, statistically consistent data interpolation method, which we analyze theoretically in detail, we develop a network-free framework for AI incorporating generative modeling. We demonstrate this framework with examples from three different disciplines - ethology, control theory, and mathematics. Our generative Hilbert framework applied to the trajectories of small groups of swimming fish outperformed state-of-the-art traditional mathematical behavioral models and current ANN-based models. We demonstrate pure data interpolation based control by stabilizing an inverted pendulum and a driven logistic map around unstable fixed points. Finally, we present a mathematical application by predicting zeros of the Riemann Zeta function, achieving comparable performance as a transformer network. We do not suggest that the proposed framework will always outperform networks as over-parameterized networks can interpolate. However, our framework is theoretically sound, transparent, deterministic, and parameter free: remarkably, it does not require any compute-expensive training, does not involve optimization, has no model selection, and is easily reproduced and ported. We also propose an easily computed method of credit assignment based on this framework, to help address ethical-legal challenges raised by generative AI.
Authors: Ismael T. Freire, Adri\'an F. Amil, Paul F. M. J. Verschure
Abstract: State of the art deep reinforcement learning algorithms are sample inefficient due to the large number of episodes they require to achieve asymptotic performance. Episodic Reinforcement Learning (ERL) algorithms, inspired by the mammalian hippocampus, typically use extended memory systems to bootstrap learning from past events to overcome this sample-inefficiency problem. However, such memory augmentations are often used as mere buffers, from which isolated past experiences are drawn to learn from in an offline fashion (e.g., replay). Here, we demonstrate that including a bias in the acquired memory content derived from the order of episodic sampling improves both the sample and memory efficiency of an episodic control algorithm. We test our Sequential Episodic Control (SEC) model in a foraging task to show that storing and using integrated episodes as event sequences leads to faster learning with fewer memory requirements as opposed to a standard ERL benchmark, Model-Free Episodic Control, that buffers isolated events only. We also study the effect of memory constraints and forgetting on the sequential and non-sequential version of the SEC algorithm. Furthermore, we discuss how a hippocampal-like fast memory system could bootstrap slow cortical and subcortical learning subserving habit formation in the mammalian brain.
Authors: Florian Karl, Tobias Pielok, Julia Moosbauer, Florian Pfisterer, Stefan Coors, Martin Binder, Lennart Schneider, Janek Thomas, Jakob Richter, Michel Lang, Eduardo C. Garrido-Merch\'an, Juergen Branke, Bernd Bischl
Abstract: Hyperparameter optimization constitutes a large part of typical modern machine learning workflows. This arises from the fact that machine learning methods and corresponding preprocessing steps often only yield optimal performance when hyperparameters are properly tuned. But in many applications, we are not only interested in optimizing ML pipelines solely for predictive accuracy; additional metrics or constraints must be considered when determining an optimal configuration, resulting in a multi-objective optimization problem. This is often neglected in practice, due to a lack of knowledge and readily available software implementations for multi-objective hyperparameter optimization. In this work, we introduce the reader to the basics of multi-objective hyperparameter optimization and motivate its usefulness in applied ML. Furthermore, we provide an extensive survey of existing optimization strategies, both from the domain of evolutionary algorithms and Bayesian optimization. We illustrate the utility of MOO in several specific ML applications, considering objectives such as operating conditions, prediction time, sparseness, fairness, interpretability and robustness.
Authors: Paul Brunzema, Alexander von Rohr, Friedrich Solowjow, Sebastian Trimpe
Abstract: We consider the problem of sequentially optimizing a time-varying objective function using time-varying Bayesian optimization (TVBO). To cope with stale data arising from time variations, current approaches to TVBO require prior knowledge of a constant rate of change. However, in practice, the rate of change is usually unknown. We propose an event-triggered algorithm, ET-GP-UCB, that treats the optimization problem as static until it detects changes in the objective function and then resets the dataset. This allows the algorithm to adapt online to realized temporal changes without the need for exact prior knowledge. The event trigger is based on probabilistic uniform error bounds used in Gaussian process regression. We derive regret bounds of adaptive resets without exact prior knowledge on the temporal changes, and show in numerical experiments that ET-GP-UCB outperforms state-of-the-art algorithms on both synthetic and real-world data. The results demonstrate that ET-GP-UCB is readily applicable to various settings without extensive hyperparameter tuning.
Authors: Jiaxing Xu, Jinjie Ni, Yiping Ke
Abstract: Graph Neural Networks (GNNs) are widely used for graph representation learning. Despite its prevalence, GNN suffers from two drawbacks in the graph classification task, the neglect of graph-level relationships, and the generalization issue. Each graph is treated separately in GNN message passing/graph pooling, and existing methods to address overfitting operate on each individual graph. This makes the graph representations learnt less effective in the downstream classification. In this paper, we propose a Class-Aware Representation rEfinement (CARE) framework for the task of graph classification. CARE computes simple yet powerful class representations and injects them to steer the learning of graph representations towards better class separability. CARE is a plug-and-play framework that is highly flexible and able to incorporate arbitrary GNN backbones without significantly increasing the computational cost. We also theoretically prove that CARE has a better generalization upper bound than its GNN backbone through Vapnik-Chervonenkis (VC) dimension analysis. Our extensive experiments with 11 well-known GNN backbones on 9 benchmark datasets validate the superiority and effectiveness of CARE over its GNN counterparts.
Authors: Pierre Clavier, Erwan Le Pennec, Matthieu Geist
Abstract: We study the sample complexity of obtaining an $\epsilon$-optimal policy in \emph{Robust} discounted Markov Decision Processes (RMDPs), given only access to a generative model of the nominal kernel. This problem is widely studied in the non-robust case, and it is known that any planning approach applied to an empirical MDP estimated with $\tilde{\mathcal{O}}(\frac{H^3 \mid S \mid\mid A \mid}{\epsilon^2})$ samples provides an $\epsilon$-optimal policy, which is minimax optimal. Results in the robust case are much more scarce. For $sa$- (resp $s$-)rectangular uncertainty sets, the best known sample complexity is $\tilde{\mathcal{O}}(\frac{H^4 \mid S \mid^2\mid A \mid}{\epsilon^2})$ (resp. $\tilde{\mathcal{O}}(\frac{H^4 \mid S \mid^2\mid A \mid^2}{\epsilon^2})$), for specific algorithms and when the uncertainty set is based on the total variation (TV), the KL or the Chi-square divergences. In this paper, we consider uncertainty sets defined with an $L_p$-ball (recovering the TV case), and study the sample complexity of \emph{any} planning algorithm (with high accuracy guarantee on the solution) applied to an empirical RMDP estimated using the generative model. In the general case, we prove a sample complexity of $\tilde{\mathcal{O}}(\frac{H^4 \mid S \mid\mid A \mid}{\epsilon^2})$ for both the $sa$- and $s$-rectangular cases (improvements of $\mid S \mid$ and $\mid S \mid\mid A \mid$ respectively). When the size of the uncertainty is small enough, we improve the sample complexity to $\tilde{\mathcal{O}}(\frac{H^3 \mid S \mid\mid A \mid }{\epsilon^2})$, recovering the lower-bound for the non-robust case for the first time and a robust lower-bound when the size of the uncertainty is small enough.
Authors: Mark Deutel, Georgios Kontes, Christopher Mutschler, J\"urgen Teich
Abstract: Deploying Deep Neural Networks (DNNs) on microcontrollers (TinyML) is a common trend to process the increasing amount of sensor data generated at the edge, but in practice, resource and latency constraints make it difficult to find optimal DNN candidates. Neural Architecture Search (NAS) is an excellent approach to automate this search and can easily be combined with DNN compression techniques commonly used in TinyML. However, many NAS techniques are not only computationally expensive, especially hyperparameter optimization (HPO), but also often focus on optimizing only a single objective, e.g., maximizing accuracy, without considering additional objectives such as memory consumption or computational complexity of a DNN, which are key to making deployment at the edge feasible. In this paper, we propose a novel NAS strategy for TinyML based on Multi-Objective Bayesian optimization (MOBOpt) and an ensemble of competing parametric policies trained using Augmented Random Search (ARS) Reinforcement Learning (RL) agents. Our methodology aims at efficiently finding tradeoffs between a DNN's predictive accuracy, memory consumption on a given target system, and computational complexity. Our experiments show that we outperform existing MOBOpt approaches consistently on different data sets and architectures such as ResNet-18 and MobileNetV3.
Authors: Dinesh Parthasarathy, Georgios Kontes, Axel Plinge, Christopher Mutschler
Abstract: The Constrained Markov Decision Process (CMDP) formulation allows to solve safety-critical decision making tasks that are subject to constraints. While CMDPs have been extensively studied in the Reinforcement Learning literature, little attention has been given to sampling-based planning algorithms such as MCTS for solving them. Previous approaches perform conservatively with respect to costs as they avoid constraint violations by using Monte Carlo cost estimates that suffer from high variance. We propose Constrained MCTS (C-MCTS), which estimates cost using a safety critic that is trained with Temporal Difference learning in an offline phase prior to agent deployment. The critic limits exploration by pruning unsafe trajectories within MCTS during deployment. C-MCTS satisfies cost constraints but operates closer to the constraint boundary, achieving higher rewards than previous work. As a nice byproduct, the planner is more efficient w.r.t. planning steps. Most importantly, under model mismatch between the planner and the real world, C-MCTS is less susceptible to cost violations than previous work.
Authors: Libin Zhu, Chaoyue Liu, Adityanarayanan Radhakrishnan, Mikhail Belkin
Abstract: In this paper, we first present an explanation regarding the common occurrence of spikes in the training loss when neural networks are trained with stochastic gradient descent (SGD). We provide evidence that the spikes in the training loss of SGD are "catapults", an optimization phenomenon originally observed in GD with large learning rates in [Lewkowycz et al. 2020]. We empirically show that these catapults occur in a low-dimensional subspace spanned by the top eigenvectors of the tangent kernel, for both GD and SGD. Second, we posit an explanation for how catapults lead to better generalization by demonstrating that catapults promote feature learning by increasing alignment with the Average Gradient Outer Product (AGOP) of the true predictor. Furthermore, we demonstrate that a smaller batch size in SGD induces a larger number of catapults, thereby improving AGOP alignment and test performance.
Authors: Yu Wang, Tongya Zheng, Shunyu Liu, Zunlei Feng, Kaixuan Chen, Yunzhi Hao, Mingli Song
Abstract: Human mobility patterns have shown significant applications in policy-decision scenarios and economic behavior researches. The human mobility simulation task aims to generate human mobility trajectories given a small set of trajectory data, which have aroused much concern due to the scarcity and sparsity of human mobility data. Existing methods mostly rely on the static relationships of locations, while largely neglect the dynamic spatiotemporal effects of locations. On the one hand, spatiotemporal correspondences of visit distributions reveal the spatial proximity and the functionality similarity of locations. On the other hand, the varying durations in different locations hinder the iterative generation process of the mobility trajectory. Therefore, we propose a novel framework to model the dynamic spatiotemporal effects of locations, namely SpatioTemporal-Augmented gRaph neural networks (STAR). The STAR framework designs various spatiotemporal graphs to capture the spatiotemporal correspondences and builds a novel dwell branch to simulate the varying durations in locations, which is finally optimized in an adversarial manner. The comprehensive experiments over four real datasets for the human mobility simulation have verified the superiority of STAR to state-of-the-art methods. Our code is available at https://github.com/Star607/STAR-TKDE.
Authors: Rohith Kuditipudi, John Thickstun, Tatsunori Hashimoto, Percy Liang
Abstract: We propose a methodology for planting watermarks in text from an autoregressive language model that are robust to perturbations without changing the distribution over text up to a certain maximum generation budget. We generate watermarked text by mapping a sequence of random numbers -- which we compute using a randomized watermark key -- to a sample from the language model. To detect watermarked text, any party who knows the key can align the text to the random number sequence. We instantiate our watermark methodology with two sampling schemes: inverse transform sampling and exponential minimum sampling. We apply these watermarks to three language models -- OPT-1.3B, LLaMA-7B and Alpaca-7B -- to experimentally validate their statistical power and robustness to various paraphrasing attacks. Notably, for both the OPT-1.3B and LLaMA-7B models, we find we can reliably detect watermarked text ($p \leq 0.01$) from $35$ tokens even after corrupting between $40$-$50\%$ of the tokens via random edits (i.e., substitutions, insertions or deletions). For the Alpaca-7B model, we conduct a case study on the feasibility of watermarking responses to typical user instructions. Due to the lower entropy of the responses, detection is more difficult: around $25\%$ of the responses -- whose median length is around $100$ tokens -- are detectable with $p \leq 0.01$, and the watermark is also less robust to certain automated paraphrasing attacks we implement.
Authors: Songtao Feng, Ming Yin, Yu-Xiang Wang, Jing Yang, Yingbin Liang
Abstract: The problem of two-player zero-sum Markov games has recently attracted increasing interests in theoretical studies of multi-agent reinforcement learning (RL). In particular, for finite-horizon episodic Markov decision processes (MDPs), it has been shown that model-based algorithms can find an $\epsilon$-optimal Nash Equilibrium (NE) with the sample complexity of $O(H^3SAB/\epsilon^2)$, which is optimal in the dependence of the horizon $H$ and the number of states $S$ (where $A$ and $B$ denote the number of actions of the two players, respectively). However, none of the existing model-free algorithms can achieve such an optimality. In this work, we propose a model-free stage-based Q-learning algorithm and show that it achieves the same sample complexity as the best model-based algorithm, and hence for the first time demonstrate that model-free algorithms can enjoy the same optimality in the $H$ dependence as model-based algorithms. The main improvement of the dependency on $H$ arises by leveraging the popular variance reduction technique based on the reference-advantage decomposition previously used only for single-agent RL. However, such a technique relies on a critical monotonicity property of the value function, which does not hold in Markov games due to the update of the policy via the coarse correlated equilibrium (CCE) oracle. Thus, to extend such a technique to Markov games, our algorithm features a key novel design of updating the reference value functions as the pair of optimistic and pessimistic value functions whose value difference is the smallest in the history in order to achieve the desired improvement in the sample efficiency.
Authors: Jingwen Fu, Tao Yang, Yuwang Wang, Yan Lu, Nanning Zheng
Abstract: In-context learning, i.e., learning from context examples, is an impressive ability of Transformer. Training Transformers to possess this in-context learning skill is computationally intensive due to the occurrence of learning plateaus, which are periods within the training process where there is minimal or no enhancement in the model's in-context learning capability. To study the mechanism behind the learning plateaus, we conceptually seperate a component within the model's internal representation that is exclusively affected by the model's weights. We call this the "weights component", and the remainder is identified as the "context component". By conducting meticulous and controlled experiments on synthetic tasks, we note that the persistence of learning plateaus correlates with compromised functionality of the weights component. Recognizing the impaired performance of the weights component as a fundamental behavior drives learning plateaus, we have developed three strategies to expedite the learning of Transformers. The effectiveness of these strategies is further confirmed in natural language processing tasks. In conclusion, our research demonstrates the feasibility of cultivating a powerful in-context learning ability within AI systems in an eco-friendly manner.
Authors: Anay Majee, Suraj Kothawade, Krishnateja Killamsetty, Rishabh Iyer
Abstract: In this paper we introduce the SCoRe (Submodular Combinatorial Representation Learning) framework, a novel approach in representation learning that addresses inter-class bias and intra-class variance. SCoRe provides a new combinatorial viewpoint to representation learning, by introducing a family of loss functions based on set-based submodular information measures. We develop two novel combinatorial formulations for loss functions, using the Total Information and Total Correlation, that naturally minimize intra-class variance and inter-class bias. Several commonly used metric/contrastive learning loss functions like supervised contrastive loss, orthogonal projection loss, and N-pairs loss, are all instances of SCoRe, thereby underlining the versatility and applicability of SCoRe in a broad spectrum of learning scenarios. Novel objectives in SCoRe naturally model class-imbalance with up to 7.6\% improvement in classification on CIFAR-10-LT, CIFAR-100-LT, MedMNIST, 2.1% on ImageNet-LT, and 19.4% in object detection on IDD and LVIS (v1.0), demonstrating its effectiveness over existing approaches.
Authors: Aaron Ferber, Arman Zharmagambetov, Taoan Huang, Bistra Dilkina, Yuandong Tian
Abstract: Deep generative models like GAN and VAE have shown impressive results in generating unconstrained objects like images. However, many design settings arising in industrial design, material science, computer graphics and more require that the generated objects satisfy hard combinatorial constraints or meet objectives in addition to modeling a data distribution. To address this, we propose GenCO, a generative framework that guarantees constraint satisfaction throughout training by leveraging differentiable combinatorial solvers to enforce feasibility. GenCO imposes the generative loss on provably feasible solutions rather than intermediate soft solutions, meaning that the deep generative network can focus on ensuring the generated objects match the data distribution without having to also capture feasibility. This shift enables practitioners to enforce hard constraints on the generated outputs during end-to-end training, enabling assessments of their feasibility and introducing additional combinatorial loss components to deep generative training. We demonstrate the effectiveness of our approach on a variety of generative combinatorial tasks, including game level generation, map creation for path planning, and photonic device design, consistently demonstrating its capability to yield diverse, high-quality solutions that verifiably adhere to user-specified combinatorial properties.
Authors: Or Feldman, Chaim Baskin
Abstract: Modern approaches for learning on dynamic graphs have adopted the use of batches instead of applying updates one by one. The use of batches allows these techniques to become helpful in streaming scenarios where updates to graphs are received at extreme speeds. Using batches, however, forces the models to update infrequently, which results in the degradation of their performance. In this work, we suggest a decoupling strategy that enables the models to update frequently while using batches. By decoupling the core modules of temporal graph networks and implementing them using a minimal number of learnable parameters, we have developed the Lightweight Decoupled Temporal Graph Network (LDTGN), an exceptionally efficient model for learning on dynamic graphs. LDTG was validated on various dynamic graph benchmarks, providing comparable or state-of-the-art results with significantly higher throughput than previous art. Notably, our method outperforms previous approaches by more than 20\% on benchmarks that require rapid model update rates, such as USLegis or UNTrade. The code to reproduce our experiments is available at \href{https://orfeld415.github.io/module-decoupling}{this http url}.
Authors: Xingzhuo Guo, Junwei Pan, Ximei Wang, Baixu Chen, Jie Jiang, Mingsheng Long
Abstract: Recent advances in foundation models have led to a promising trend of developing large recommendation models to leverage vast amounts of available data. Still, mainstream models remain embarrassingly small in size and na\"ive enlarging does not lead to sufficient performance gain, suggesting a deficiency in the model scalability. In this paper, we identify the embedding collapse phenomenon as the inhibition of scalability, wherein the embedding matrix tends to occupy a low-dimensional subspace. Through empirical and theoretical analysis, we demonstrate a \emph{two-sided effect} of feature interaction specific to recommendation models. On the one hand, interacting with collapsed embeddings restricts embedding learning and exacerbates the collapse issue. On the other hand, interaction is crucial in mitigating the fitting of spurious features as a scalability guarantee. Based on our analysis, we propose a simple yet effective multi-embedding design incorporating embedding-set-specific interaction modules to learn embedding sets with large diversity and thus reduce collapse. Extensive experiments demonstrate that this proposed design provides consistent scalability and effective collapse mitigation for various recommendation models. Code is available at this repository: https://github.com/thuml/Multi-Embedding.
Authors: Jianguo Huang, Huajun Xi, Linjun Zhang, Huaxiu Yao, Yue Qiu, Hongxin Wei
Abstract: Conformal prediction is a statistical framework that generates prediction sets containing ground-truth labels with a desired coverage guarantee. The predicted probabilities produced by machine learning models are generally miscalibrated, leading to large prediction sets in conformal prediction. To address this issue, we propose a novel algorithm named $\textit{Sorted Adaptive Prediction Sets}$ (SAPS), which discards all the probability values except for the maximum softmax probability. The key idea behind SAPS is to minimize the dependence of the non-conformity score on the probability values while retaining the uncertainty information. In this manner, SAPS can produce compact prediction sets and communicate instance-wise uncertainty. Extensive experiments validate that SAPS not only lessens the prediction sets but also broadly enhances the conditional coverage rate of prediction sets.
Authors: Martin Pawelczyk, Seth Neel, Himabindu Lakkaraju
Abstract: Machine unlearning, the study of efficiently removing the impact of specific training instances on a model, has garnered increased attention in recent years due to regulatory guidelines such as the \emph{Right to be Forgotten}. Achieving precise unlearning typically involves fully retraining the model and is computationally infeasible in case of very large models such as Large Language Models (LLMs). To this end, recent work has proposed several algorithms which approximate the removal of training data without retraining the model. These algorithms crucially rely on access to the model parameters in order to update them, an assumption that may not hold in practice due to computational constraints or having only query access to the LLMs. In this work, we propose a new class of unlearning methods for LLMs called ``In-Context Unlearning.'' This method unlearns instances from the model by simply providing specific kinds of inputs in context, without the need to update model parameters. To unlearn specific training instances, we present these instances to the LLMs at inference time along with labels that differ from their ground truth. Our experimental results demonstrate that in-context unlearning performs on par with, or in some cases outperforms other state-of-the-art methods that require access to model parameters, effectively removing the influence of specific instances on the model while preserving test accuracy.
Authors: Liang Zhang, Bingcong Li, Kiran Koshy Thekumparampil, Sewoong Oh, Niao He
Abstract: The widespread practice of fine-tuning large language models (LLMs) on domain-specific data faces two major challenges in memory and privacy. First, as the size of LLMs continues to grow, the memory demands of gradient-based training methods via backpropagation become prohibitively high. Second, given the tendency of LLMs to memorize training data, it is important to protect potentially sensitive information in the fine-tuning data from being regurgitated. Zeroth-order methods, which rely solely on forward passes, substantially reduce memory consumption during training. However, directly combining them with standard differentially private gradient descent suffers more as model size grows. To bridge this gap, we introduce DPZero, a novel private zeroth-order algorithm with nearly dimension-independent rates. The memory efficiency of DPZero is demonstrated in privately fine-tuning RoBERTa and OPT on several downstream tasks. Our code is available at https://github.com/Liang137/DPZero.
Authors: Kai Lv, Hang Yan, Qipeng Guo, Haijun Lv, Xipeng Qiu
Abstract: Large language models have achieved remarkable success, but their extensive parameter size necessitates substantial memory for training, thereby setting a high threshold. While the recently proposed low-memory optimization (LOMO) reduces memory footprint, its optimization technique, akin to stochastic gradient descent, is sensitive to hyper-parameters and exhibits suboptimal convergence, failing to match the performance of the prevailing optimizer for large language models, AdamW. Through empirical analysis of the Adam optimizer, we found that, compared to momentum, the adaptive learning rate is more critical for bridging the gap. Building on this insight, we introduce the low-memory optimization with adaptive learning rate (AdaLomo), which offers an adaptive learning rate for each parameter. To maintain memory efficiency, we employ non-negative matrix factorization for the second-order moment estimation in the optimizer state. Additionally, we suggest the use of a grouped update normalization to stabilize convergence. Our experiments with instruction-tuning and further pre-training demonstrate that AdaLomo achieves results on par with AdamW, while significantly reducing memory requirements, thereby lowering the hardware barrier to training large language models. The code is accessible at https://github.com/OpenLMLab/LOMO.
Authors: Yen-Ju Chen, Nai-Chieh Huang, Ching-Pei Lee, Ping-Chun Hsieh
Abstract: Various acceleration approaches for Policy Gradient (PG) have been analyzed within the realm of Reinforcement Learning (RL). However, the theoretical understanding of the widely used momentum-based acceleration method on PG remains largely open. In response to this gap, we adapt the celebrated Nesterov's accelerated gradient (NAG) method to policy optimization in RL, termed \textit{Accelerated Policy Gradient} (APG). To demonstrate the potential of APG in achieving fast convergence, we formally prove that with the true gradient and under the softmax policy parametrization, APG converges to an optimal policy at rates: (i) $\tilde{O}(1/t^2)$ with constant step sizes; (ii) $O(e^{-ct})$ with exponentially-growing step sizes. To the best of our knowledge, this is the first characterization of the convergence rates of NAG in the context of RL. Notably, our analysis relies on one interesting finding: Regardless of the parameter initialization, APG ends up entering a locally nearly-concave regime, where APG can significantly benefit from the momentum, within finite iterations. Through numerical validation and experiments on the Atari 2600 benchmarks, we confirm that APG exhibits a $\tilde{O}(1/t^2)$ rate with constant step sizes and a linear convergence rate with exponentially-growing step sizes, significantly improving convergence over the standard PG.
Authors: David T. Hoffmann, Simon Schrodi, Jelena Bratuli\'c, Nadine Behrmann, Volker Fischer, Thomas Brox
Abstract: In this work, we study rapid improvements of the training loss in transformers when being confronted with multi-step decision tasks. We found that transformers struggle to learn the intermediate task and both training and validation loss saturate for hundreds of epochs. When transformers finally learn the intermediate task, they do this rapidly and unexpectedly. We call these abrupt improvements Eureka-moments, since the transformer appears to suddenly learn a previously incomprehensible concept. We designed synthetic tasks to study the problem in detail, but the leaps in performance can be observed also for language modeling and in-context learning (ICL). We suspect that these abrupt transitions are caused by the multi-step nature of these tasks. Indeed, we find connections and show that ways to improve on the synthetic multi-step tasks can be used to improve the training of language modeling and ICL. Using the synthetic data we trace the problem back to the Softmax function in the self-attention block of transformers and show ways to alleviate the problem. These fixes reduce the required number of training steps, lead to higher likelihood to learn the intermediate task, to higher final accuracy and training becomes more robust to hyper-parameters.
Authors: Sungho Suh, Dhruv Aditya Mittal, Hymalai Bello, Bo Zhou, Mayank Shekhar Jha, Paul Lukowicz
Abstract: Lithium-ion batteries are widely used in various applications, including electric vehicles and renewable energy storage. The prediction of the remaining useful life (RUL) of batteries is crucial for ensuring reliable and efficient operation, as well as reducing maintenance costs. However, determining the life cycle of batteries in real-world scenarios is challenging, and existing methods have limitations in predicting the number of cycles iteratively. In addition, existing works often oversimplify the datasets, neglecting important features of the batteries such as temperature, internal resistance, and material type. To address these limitations, this paper proposes a two-stage RUL prediction scheme for Lithium-ion batteries using a spatio-temporal multimodal attention network (ST-MAN). The proposed ST-MAN is to capture the complex spatio-temporal dependencies in the battery data, including the features that are often neglected in existing works. Despite operating without prior knowledge of end-of-life (EOL) events, our method consistently achieves lower error rates, boasting mean absolute error (MAE) and mean square error (MSE) of 0.0275 and 0.0014, respectively, compared to existing convolutional neural networks (CNN) and long short-term memory (LSTM)-based methods. The proposed method has the potential to improve the reliability and efficiency of battery operations and is applicable in various industries.
Authors: Titing Cui, Su Jia, Thomas Lavastida
Abstract: Dynamic pricing models often posit that a $\textbf{stream}$ of customer interactions occur sequentially, where customers' valuations are drawn independently. However, this model is not entirely reflective of the real world, as it overlooks a critical aspect, the law of diminishing marginal utility, which states that a customer's marginal utility from each additional unit declines. This causes the valuation distribution to shift towards the lower end, which is not captured by the stream model. This motivates us to study a pool-based model, where a $\textbf{pool}$ of customers repeatedly interacts with a monopolist seller, each of whose valuation diminishes in the number of purchases made according to a discount function. In particular, when the discount function is constant, our pool model recovers the stream model. We focus on the most fundamental special case, where a customer's valuation becomes zero once a purchase is made. Given $k$ prices, we present a non-adaptive, detail-free (i.e., does not "know" the valuations) policy that achieves a $1/k$ competitive ratio, which is optimal among non-adaptive policies. Furthermore, based on a novel debiasing technique, we propose an adaptive learn-then-earn policy with a $\tilde O(k^{2/3} n^{2/3})$ regret.
Authors: Behrooz Tahmasebi, Stefanie Jegelka
Abstract: Group-invariant probability distributions appear in many data-generative models in machine learning, such as graphs, point clouds, and images. In practice, one often needs to estimate divergences between such distributions. In this work, we study how the inherent invariances, with respect to any smooth action of a Lie group on a manifold, improve sample complexity when estimating the 1-Wasserstein distance, the Sobolev Integral Probability Metrics (Sobolev IPMs), the Maximum Mean Discrepancy (MMD), and also the complexity of the density estimation problem (in the $L^2$ and $L^\infty$ distance). Our results indicate a two-fold gain: (1) reducing the sample complexity by a multiplicative factor corresponding to the group size (for finite groups) or the normalized volume of the quotient space (for groups of positive dimension); (2) improving the exponent in the convergence rate (for groups of positive dimension). These results are completely new for groups of positive dimension and extend recent bounds for finite group actions.
Authors: Andrew Campbell, Hang Liu, Leah Woldemariam, Anna Scaglione
Abstract: Recent research highlights frequent model communication as a significant bottleneck to the efficiency of decentralized machine learning (ML), especially for large-scale and over-parameterized neural networks (NNs). To address this, we present Malcom-PSGD, a novel decentralized ML algorithm that combines gradient compression techniques with model sparsification. We promote model sparsity by adding $\ell_1$ regularization to the objective and present a decentralized proximal SGD method for training. Our approach employs vector source coding and dithering-based quantization for the compressed gradient communication of sparsified models. Our analysis demonstrates that Malcom-PSGD achieves a convergence rate of $\mathcal{O}(1/\sqrt{t})$ with respect to the iterations $t$, assuming a constant consensus and learning rate. This result is supported by our proof for the convergence of non-convex compressed Proximal SGD methods. Additionally, we conduct a bit analysis, providing a closed-form expression for the communication costs associated with Malcom-PSGD. Numerical results verify our theoretical findings and demonstrate that our method reduces communication costs by approximately $75\%$ when compared to the state-of-the-art.
Authors: Junli Fang, Jo\~ao F. C. Mota, Baoshan Lu, Weicheng Zhang, Xuemin Hong
Abstract: The joint source-channel coding (JSCC) framework leverages deep learning to learn from data the best codes for source and channel coding. When the output signal, rather than being binary, is directly mapped onto the IQ domain (complex-valued), we call the resulting framework joint source coding and modulation (JSCM). We consider a JSCM scenario and show the existence of a strict tradeoff between channel rate, distortion, perception, and classification accuracy, a tradeoff that we name RDPC. We then propose two image compression methods to navigate that tradeoff: the RDPCO algorithm which, under simple assumptions, directly solves the optimization problem characterizing the tradeoff, and an algorithm based on an inverse-domain generative adversarial network (ID-GAN), which is more general and achieves extreme compression. Simulation results corroborate the theoretical findings, showing that both algorithms exhibit the RDPC tradeoff. They also demonstrate that the proposed ID-GAN algorithm effectively balances image distortion, perception, and classification accuracy, and significantly outperforms traditional separation-based methods and recent deep JSCM architectures in terms of one or more of these metrics.
Authors: Jinglong Luo, Yehong Zhang, Zhuo Zhang, Jiaqi Zhang, Xin Mu, Hui Wang, Yue Yu, Zenglin Xu
Abstract: With the growing use of large language models hosted on cloud platforms to offer inference services, privacy concerns are escalating, especially concerning sensitive data like investment plans and bank account details. Secure Multi-Party Computing (SMPC) emerges as a promising solution to protect the privacy of inference data and model parameters. However, the application of SMPC in Privacy-Preserving Inference (PPI) for large language models, particularly those based on the Transformer architecture, often leads to considerable slowdowns or declines in performance. This is largely due to the multitude of nonlinear operations in the Transformer architecture, which are not well-suited to SMPC and difficult to circumvent or optimize effectively. To address this concern, we introduce an advanced optimization framework called SecFormer, to achieve fast and accurate PPI for Transformer models. By implementing model design optimization, we successfully eliminate the high-cost exponential and maximum operations in PPI without sacrificing model performance. Additionally, we have developed a suite of efficient SMPC protocols that utilize segmented polynomials, Fourier series and Goldschmidt's method to handle other complex nonlinear functions within PPI, such as GeLU, LayerNorm, and Softmax. Our extensive experiments reveal that SecFormer outperforms MPCFormer in performance, showing improvements of $5.6\%$ and $24.2\%$ for BERT$_{\text{BASE}}$ and BERT$_{\text{LARGE}}$, respectively. In terms of efficiency, SecFormer is 3.56 and 3.58 times faster than Puma for BERT$_{\text{BASE}}$ and BERT$_{\text{LARGE}}$, demonstrating its effectiveness and speed.
Authors: Hien Dang, Tho Tran, Tan Nguyen, Nhat Ho
Abstract: The current paradigm of training deep neural networks for classification tasks includes minimizing the empirical risk that pushes the training loss value towards zero, even after the training error has been vanished. In this terminal phase of training, it has been observed that the last-layer features collapse to their class-means and these class-means converge to the vertices of a simplex Equiangular Tight Frame (ETF). This phenomenon is termed as Neural Collapse (NC). To theoretically understand this phenomenon, recent works employ a simplified unconstrained feature model to prove that NC emerges at the global solutions of the training problem. However, when the training dataset is class-imbalanced, some NC properties will no longer be true. For example, the class-means geometry will skew away from the simplex ETF when the loss converges. In this paper, we generalize NC to imbalanced regime for cross-entropy loss under the unconstrained ReLU feature model. We prove that, while the within-class features collapse property still holds in this setting, the class-means will converge to a structure consisting of orthogonal vectors with different lengths. Furthermore, we find that the classifier weights are aligned to the scaled and centered class-means with scaling factors depend on the number of training samples of each class, which generalizes NC in the class-balanced setting. We empirically prove our results through experiments on practical architectures and dataset.
Authors: Jingchao Ni, Gauthier Guinet, Peihong Jiang, Laurent Callot, Andrey Kan
Abstract: In large IT systems, software deployment is a crucial process in online services as their code is regularly updated. However, a faulty code change may degrade the target service's performance and cause cascading outages in downstream services. Thus, software deployments should be comprehensively monitored, and their anomalies should be detected timely. In this paper, we study the problem of anomaly detection for deployments. We begin by identifying the challenges unique to this anomaly detection problem, which is at entity-level (e.g., deployments), relative to the more typical problem of anomaly detection in multivariate time series (MTS). The unique challenges include the heterogeneity of deployments, the low latency tolerance, the ambiguous anomaly definition, and the limited supervision. To address them, we propose a novel framework, semi-supervised hybrid Model for Entity-Level Online Detection of anomalY (MELODY). MELODY first transforms the MTS of different entities to the same feature space by an online feature extractor, then uses a newly proposed semi-supervised deep one-class model for detecting anomalous entities. We evaluated MELODY on real data of cloud services with 1.2M+ time series. The relative F1 score improvement of MELODY over the state-of-the-art methods ranges from 7.6% to 56.5%. The user evaluation suggests MELODY is suitable for monitoring deployments in large online systems.
Authors: Tianle Cai, Yuhong Li, Zhengyang Geng, Hongwu Peng, Jason D. Lee, Deming Chen, Tri Dao
Abstract: Large Language Models (LLMs) employ auto-regressive decoding that requires sequential computation, with each step reliant on the previous one's output. This creates a bottleneck as each step necessitates moving the full model parameters from High-Bandwidth Memory (HBM) to the accelerator's cache. While methods such as speculative decoding have been suggested to address this issue, their implementation is impeded by the challenges associated with acquiring and maintaining a separate draft model. In this paper, we present Medusa, an efficient method that augments LLM inference by adding extra decoding heads to predict multiple subsequent tokens in parallel. Using a tree-based attention mechanism, Medusa constructs multiple candidate continuations and verifies them simultaneously in each decoding step. By leveraging parallel processing, Medusa substantially reduces the number of decoding steps required. We present two levels of fine-tuning procedures for Medusa to meet the needs of different use cases: Medusa-1: Medusa is directly fine-tuned on top of a frozen backbone LLM, enabling lossless inference acceleration. Medusa-2: Medusa is fine-tuned together with the backbone LLM, enabling better prediction accuracy of Medusa heads and higher speedup but needing a special training recipe that preserves the backbone model's capabilities. Moreover, we propose several extensions that improve or expand the utility of Medusa, including a self-distillation to handle situations where no training data is available and a typical acceptance scheme to boost the acceptance rate while maintaining generation quality. We evaluate Medusa on models of various sizes and training procedures. Our experiments demonstrate that Medusa-1 can achieve over 2.2x speedup without compromising generation quality, while Medusa-2 further improves the speedup to 2.3-3.6x.
Authors: Jing Yu Koh, Robert Lo, Lawrence Jang, Vikram Duvvur, Ming Chong Lim, Po-Yu Huang, Graham Neubig, Shuyan Zhou, Ruslan Salakhutdinov, Daniel Fried
Abstract: Autonomous agents capable of planning, reasoning, and executing actions on the web offer a promising avenue for automating computer tasks. However, the majority of existing benchmarks primarily focus on text-based agents, neglecting many natural tasks that require visual information to effectively solve. Given that most computer interfaces cater to human perception, visual information often augments textual data in ways that text-only models struggle to harness effectively. To bridge this gap, we introduce VisualWebArena, a benchmark designed to assess the performance of multimodal web agents on realistic \textit{visually grounded tasks}. VisualWebArena comprises of a set of diverse and complex web-based tasks that evaluate various capabilities of autonomous multimodal agents. To perform on this benchmark, agents need to accurately process image-text inputs, interpret natural language instructions, and execute actions on websites to accomplish user-defined objectives. We conduct an extensive evaluation of state-of-the-art LLM-based autonomous agents, including several multimodal models. Through extensive quantitative and qualitative analysis, we identify several limitations of text-only LLM agents, and reveal gaps in the capabilities of state-of-the-art multimodal language agents. VisualWebArena provides a framework for evaluating multimodal autonomous language agents, and offers insights towards building stronger autonomous agents for the web. Our code, baseline models, and data is publicly available at https://jykoh.com/vwa.
URLs: https://jykoh.com/vwa.
Authors: Andy Zhou, Bo Li, Haohan Wang
Abstract: Despite advances in AI alignment, large language models (LLMs) remain vulnerable to adversarial attacks or jailbreaking, in which adversaries can modify prompts to induce unwanted behavior. While some defenses have been proposed, they have not been adapted to newly proposed attacks and more challenging threat models. To address this, we propose an optimization-based objective for defending LLMs against jailbreaking attacks and an algorithm, Robust Prompt Optimization (RPO) to create robust system-level defenses. Our approach directly incorporates the adversary into the defensive objective and optimizes a lightweight and transferable suffix, enabling RPO to adapt to worst-case adaptive attacks. Our theoretical and experimental results show improved robustness to both jailbreaks seen during optimization and unknown jailbreaks, reducing the attack success rate (ASR) on GPT-4 to 6% and Llama-2 to 0% on JailbreakBench, setting the state-of-the-art. Code can be found at https://github.com/lapisrocks/rpo
Authors: Samuel Deng, Daniel Hsu
Abstract: The multi-group learning model formalizes the learning scenario in which a single predictor must generalize well on multiple, possibly overlapping subgroups of interest. We extend the study of multi-group learning to the natural case where the groups are hierarchically structured. We design an algorithm for this setting that outputs an interpretable and deterministic decision tree predictor with near-optimal sample complexity. We then conduct an empirical evaluation of our algorithm and find that it achieves attractive generalization properties on real datasets with hierarchical group structure.
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: Ruigang Wang, Krishnamurthy Dvijotham, Ian R. Manchester
Abstract: This paper presents a new bi-Lipschitz invertible neural network, the BiLipNet, which has the ability to smoothly control both its Lipschitzness (output sensitivity to input perturbations) and inverse Lipschitzness (input distinguishability from different outputs). The second main contribution is a new scalar-output network, the PLNet, which is a composition of a BiLipNet and a quadratic potential. We show that PLNet satisfies the Polyak-Lojasiewicz condition and can be applied to learn non-convex surrogate losses with a unique and efficiently-computable global minimum. The central technical element in these networks is a novel invertible residual layer with certified strong monotonicity and Lipschitzness, which we compose with orthogonal layers to build the BiLipNet. The certification of these properties is based on incremental quadratic constraints, resulting in much tighter bounds than can be achieved with spectral normalization. Moreover, we formulate the calculation of the inverse of a BiLipNet -- and hence the minimum of a PLNet -- as a series of three-operator splitting problems, for which fast algorithms can be applied.
Authors: Qingyuan Wu, Simon Sinong Zhan, Yixuan Wang, Yuhui Wang, Chung-Wei Lin, Chen Lv, Qi Zhu, J\"urgen Schmidhuber, Chao Huang
Abstract: Reinforcement learning (RL) is challenging in the common case of delays between events and their sensory perceptions. State-of-the-art (SOTA) state augmentation techniques either suffer from state space explosion or performance degeneration in stochastic environments. To address these challenges, we present a novel Auxiliary-Delayed Reinforcement Learning (AD-RL) method that leverages auxiliary tasks involving short delays to accelerate RL with long delays, without compromising performance in stochastic environments. Specifically, AD-RL learns a value function for short delays and uses bootstrapping and policy improvement techniques to adjust it for long delays. We theoretically show that this can greatly reduce the sample complexity. On deterministic and stochastic benchmarks, our method significantly outperforms the SOTAs in both sample efficiency and policy performance. Code is available at https://github.com/QingyuanWuNothing/AD-RL.
Authors: Sungyoon Kim, Mert Pilanci
Abstract: In this paper, we study the optimality gap between two-layer ReLU networks regularized with weight decay and their convex relaxations. We show that when the training data is random, the relative optimality gap between the original problem and its relaxation can be bounded by a factor of O(log n^0.5), where n is the number of training samples. A simple application leads to a tractable polynomial-time algorithm that is guaranteed to solve the original non-convex problem up to a logarithmic factor. Moreover, under mild assumptions, we show that local gradient methods converge to a point with low training loss with high probability. Our result is an exponential improvement compared to existing results and sheds new light on understanding why local gradient methods work well.
Authors: Brett Daley, Martha White, Marlos C. Machado
Abstract: Multistep returns, such as $n$-step returns and $\lambda$-returns, are commonly used to improve the sample efficiency of reinforcement learning (RL) methods. The variance of the multistep returns becomes the limiting factor in their length; looking too far into the future increases variance and reverses the benefits of multistep learning. In our work, we demonstrate the ability of compound returns -- weighted averages of $n$-step returns -- to reduce variance. We prove for the first time that any compound return with the same contraction modulus as a given $n$-step return has strictly lower variance. We additionally prove that this variance-reduction property improves the finite-sample complexity of temporal-difference learning under linear function approximation. Because general compound returns can be expensive to implement, we introduce two-bootstrap returns which reduce variance while remaining efficient, even when using minibatched experience replay. We conduct experiments showing that compound returns often increase the sample efficiency of $n$-step deep RL agents like DQN and PPO.
Authors: Yair Schiff, Zhong Yi Wan, Jeffrey B. Parker, Stephan Hoyer, Volodymyr Kuleshov, Fei Sha, Leonardo Zepeda-N\'u\~nez
Abstract: Learning dynamics from dissipative chaotic systems is notoriously difficult due to their inherent instability, as formalized by their positive Lyapunov exponents, which exponentially amplify errors in the learned dynamics. However, many of these systems exhibit ergodicity and an attractor: a compact and highly complex manifold, to which trajectories converge in finite-time, that supports an invariant measure, i.e., a probability distribution that is invariant under the action of the dynamics, which dictates the long-term statistical behavior of the system. In this work, we leverage this structure to propose a new framework that targets learning the invariant measure as well as the dynamics, in contrast with typical methods that only target the misfit between trajectories, which often leads to divergence as the trajectories' length increases. We use our framework to propose a tractable and sample efficient objective that can be used with any existing learning objectives. Our Dynamics Stable Learning by Invariant Measure (DySLIM) objective enables model training that achieves better point-wise tracking and long-term statistical accuracy relative to other learning objectives. By targeting the distribution with a scalable regularization term, we hope that this approach can be extended to more complex systems exhibiting slowly-variant distributions, such as weather and climate models.
Authors: Soo Yong Lee, Sunwoo Kim, Fanchen Bu, Jaemin Yoo, Jiliang Tang, Kijung Shin
Abstract: How would randomly shuffling feature vectors among nodes from the same class affect graph neural networks (GNNs)? The feature shuffle, intuitively, perturbs the dependence between graph topology and features (A-X dependence) for GNNs to learn from. Surprisingly, we observe a consistent and significant improvement in GNN performance following the feature shuffle. Having overlooked the impact of A-X dependence on GNNs, the prior literature does not provide a satisfactory understanding of the phenomenon. Thus, we raise two research questions. First, how should A-X dependence be measured, while controlling for potential confounds? Second, how does A-X dependence affect GNNs? In response, we (i) propose a principled measure for A-X dependence, (ii) design a random graph model that controls A-X dependence, (iii) establish a theory on how A-X dependence relates to graph convolution, and (iv) present empirical analysis on real-world graphs that align with the theory. We conclude that A-X dependence mediates the effect of graph convolution, such that smaller dependence improves GNN-based node classification.
Authors: Daniel Zhengyu Huang, Nicholas H. Nelsen, Margaret Trautner
Abstract: Computationally efficient surrogates for parametrized physical models play a crucial role in science and engineering. Operator learning provides data-driven surrogates that map between function spaces. However, instead of full-field measurements, often the available data are only finite-dimensional parametrizations of model inputs or finite observables of model outputs. Building on Fourier Neural Operators, this paper introduces the Fourier Neural Mappings (FNMs) framework that is able to accommodate such finite-dimensional vector inputs or outputs. The paper develops universal approximation theorems for the method. Moreover, in many applications the underlying parameter-to-observable (PtO) map is defined implicitly through an infinite-dimensional operator, such as the solution operator of a partial differential equation. A natural question is whether it is more data-efficient to learn the PtO map end-to-end or first learn the solution operator and subsequently compute the observable from the full-field solution. A theoretical analysis of Bayesian nonparametric regression of linear functionals, which is of independent interest, suggests that the end-to-end approach can actually have worse sample complexity. Extending beyond the theory, numerical results for the FNM approximation of three nonlinear PtO maps demonstrate the benefits of the operator learning perspective that this paper adopts.
Authors: Muning Wen, Junwei Liao, Cheng Deng, Jun Wang, Weinan Zhang, Ying Wen
Abstract: Large Language Models (LLMs) have shown promise as intelligent agents in interactive decision-making tasks. Traditional approaches often depend on meticulously designed prompts, high-quality examples, or additional reward models for in-context learning, supervised fine-tuning, or RLHF. Reinforcement learning (RL) presents a dynamic alternative for LLMs to overcome these dependencies by engaging directly with task-specific environments. Nonetheless, it faces significant hurdles: 1) instability stemming from the exponentially vast action space requiring exploration; 2) challenges in assigning token-level credit based on action-level reward signals, resulting in discord between maximizing rewards and accurately modeling corpus data. In response to these challenges, we introduce Entropy-Regularized Token-level Policy Optimization (ETPO), an entropy-augmented RL method tailored for optimizing LLMs at the token level. At the heart of ETPO is our novel per-token soft Bellman update, designed to harmonize the RL process with the principles of language modeling. This methodology decomposes the Q-function update from a coarse action-level view to a more granular token-level perspective, backed by theoretical proof of optimization consistency. Crucially, this decomposition renders linear time complexity in action exploration. We assess the effectiveness of ETPO within a simulated environment that models data science code generation as a series of multi-step interactive tasks; results underline ETPO's potential as a robust method for refining the interactive decision-making capabilities of language agents. For a more detailed preliminary work describing our motivation for token-level decomposition and applying it in PPO methods, please refer to arXiv:2405.15821.
Authors: Emily Jin, Michael Bronstein, Ismail Ilkan Ceylan, Matthias Lanzinger
Abstract: A large body of work has investigated the properties of graph neural networks and identified several limitations, particularly pertaining to their expressive power. Their inability to count certain patterns (e.g., cycles) in a graph lies at the heart of such limitations, since many functions to be learned rely on the ability of counting such patterns. Two prominent paradigms aim to address this limitation by enriching the graph features with subgraph or homomorphism pattern counts. In this work, we show that both of these approaches are sub-optimal in a certain sense and argue for a more fine-grained approach, which incorporates the homomorphism counts of all structures in the ``basis'' of the target pattern. This yields strictly more expressive architectures without incurring any additional overhead in terms of computational complexity compared to existing approaches. We prove a series of theoretical results on node-level and graph-level motif parameters and empirically validate them on standard benchmark datasets.
Authors: David Ruhe, Jonathan Heek, Tim Salimans, Emiel Hoogeboom
Abstract: Diffusion models have recently been increasingly applied to temporal data such as video, fluid mechanics simulations, or climate data. These methods generally treat subsequent frames equally regarding the amount of noise in the diffusion process. This paper explores Rolling Diffusion: a new approach that uses a sliding window denoising process. It ensures that the diffusion process progressively corrupts through time by assigning more noise to frames that appear later in a sequence, reflecting greater uncertainty about the future as the generation process unfolds. Empirically, we show that when the temporal dynamics are complex, Rolling Diffusion is superior to standard diffusion. In particular, this result is demonstrated in a video prediction task using the Kinetics-600 video dataset and in a chaotic fluid dynamics forecasting experiment.
Authors: Ruijie Zheng, Ching-An Cheng, Hal Daum\'e III, Furong Huang, Andrey Kolobov
Abstract: Temporal action abstractions, along with belief state representations, are a powerful knowledge sharing mechanism for sequential decision making. In this work, we propose a novel view that treats inducing temporal action abstractions as a sequence compression problem. To do so, we bring a subtle but critical component of LLM training pipelines -- input tokenization via byte pair encoding (BPE) -- to the seemingly distant task of learning skills of variable time span in continuous control domains. We introduce an approach called Primitive Sequence Encoding (PRISE) that combines continuous action quantization with BPE to learn powerful action abstractions. We empirically show that high-level skills discovered by PRISE from a multitask set of robotic manipulation demonstrations significantly boost the performance of both multitask imitation learning as well as few-shot imitation learning on unseen tasks. Our code is released at https://github.com/FrankZheng2022/PRISE.
Authors: Jiaxi Hu, Yuehong Hu, Wei Chen, Ming Jin, Shirui Pan, Qingsong Wen, Yuxuan Liang
Abstract: In long-term time series forecasting (LTSF) tasks, an increasing number of models have acknowledged that discrete time series originate from continuous dynamic systems and have attempted to model their dynamical structures. Recognizing the chaotic nature of real-world data, our model, \textbf{\textit{Attraos}}, incorporates chaos theory into LTSF, perceiving real-world time series as observations from unknown high-dimensional chaotic dynamic systems. Under the concept of attractor invariance, Attraos utilizes non-parametric Phase Space Reconstruction embedding and the proposed multi-scale dynamic memory unit to memorize historical dynamics structure and predicts by a frequency-enhanced local evolution strategy. Detailed theoretical analysis and abundant empirical evidence consistently show that Attraos outperforms various LTSF methods on mainstream LTSF datasets and chaotic datasets with only one-twelfth of the parameters compared to PatchTST.
Authors: Naoki Sugishita, Kayo Kinjo, Jun Ohkubo
Abstract: Nonlinearity plays a crucial role in deep neural networks. In this paper, we investigate the degree to which the nonlinearity of the neural network is essential. For this purpose, we employ the Koopman operator, extended dynamic mode decomposition, and the tensor-train format. The Koopman operator approach has been recently developed in physics and nonlinear sciences; the Koopman operator deals with the time evolution in the observable space instead of the state space. Since we can replace the nonlinearity in the state space with the linearity in the observable space, it is a hopeful candidate for understanding complex behavior in nonlinear systems. Here, we analyze learned neural networks for the classification problems. As a result, the replacement of the nonlinear middle layers with the Koopman matrix yields enough accuracy in numerical experiments. In addition, we confirm that the pruning of the Koopman matrix gives sufficient accuracy even at high compression ratios. These results indicate the possibility of extracting some features in the neural networks with the Koopman operator approach.
Authors: Naihao Deng, Zhenjie Sun, Ruiqi He, Aman Sikka, Yulong Chen, Lin Ma, Yue Zhang, Rada Mihalcea
Abstract: In this paper, we investigate the effectiveness of various LLMs in interpreting tabular data through different prompting strategies and data formats. Our analyses extend across six benchmarks for table-related tasks such as question-answering and fact-checking. We introduce for the first time the assessment of LLMs' performance on image-based table representations. Specifically, we compare five text-based and three image-based table representations, demonstrating the role of representation and prompting on LLM performance. Our study provides insights into the effective use of LLMs on table-related tasks.
Authors: Runlong Zhou, Simon S. Du, Beibin Li
Abstract: As language models (LMs) demonstrate their capabilities in various fields, their application to tasks requiring multi-round interactions has become increasingly popular. These tasks usually have complex dynamics, so supervised fine-tuning (SFT) on a limited offline dataset does not yield good performance. However, only a few works attempted to directly train the LMs within interactive decision-making environments. We aim to create an effective approach to fine-tune LMs with online reinforcement learning (RL) in these environments. We propose Reflect-RL, a two-player system to fine-tune an LM using SFT and online RL, where a frozen reflection model (player) assists the policy model (player). To generate data for the warm-up SFT stage, we use negative example generation to enhance the error-correction ability of the reflection model. Furthermore, we designed single-prompt action enumeration and applied curriculum learning to allow the policy model to learn more efficiently. Empirically, we verify that Reflect-RL outperforms SFT and online RL without reflection. Testing results indicate GPT-2 XL 1.56B fine-tuned with Reflect-RL outperforms larger open-source LMs, such as Mistral 7B. The benchmarks, dataset, and code involved in this work are publicly available: https://github.com/zhourunlong/Reflect-RL.
Authors: Martin Gubri, Dennis Ulmer, Hwaran Lee, Sangdoo Yun, Seong Joon Oh
Abstract: Large Language Model (LLM) services and models often come with legal rules on who can use them and how they must use them. Assessing the compliance of the released LLMs is crucial, as these rules protect the interests of the LLM contributor and prevent misuse. In this context, we describe the novel fingerprinting problem of Black-box Identity Verification (BBIV). The goal is to determine whether a third-party application uses a certain LLM through its chat function. We propose a method called Targeted Random Adversarial Prompt (TRAP) that identifies the specific LLM in use. We repurpose adversarial suffixes, originally proposed for jailbreaking, to get a pre-defined answer from the target LLM, while other models give random answers. TRAP detects the target LLMs with over 95% true positive rate at under 0.2% false positive rate even after a single interaction. TRAP remains effective even if the LLM has minor changes that do not significantly alter the original function.
Authors: Yudong He
Abstract: Centroid-based clustering algorithms, such as hard K-means (HKM) and fuzzy K-means (FKM), have suffered from learning bias towards large clusters. Their centroids tend to be crowded in large clusters, compromising performance when the true underlying data groups vary in size (i.e., imbalanced data). To address this, we propose a new clustering objective function based on the Boltzmann operator, which introduces a novel centroid repulsion mechanism, where data points surrounding the centroids repel other centroids. Larger clusters repel more, effectively mitigating the issue of large cluster learning bias. The proposed new algorithm, called equilibrium K-means (EKM), is simple, alternating between two steps; resource-saving, with the same time and space complexity as FKM; and scalable to large datasets via batch learning. We substantially evaluate the performance of EKM on synthetic and real-world datasets. The results show that EKM performs competitively on balanced data and significantly outperforms benchmark algorithms on imbalanced data. Deep clustering experiments demonstrate that EKM is a better alternative to HKM and FKM on imbalanced data as more discriminative representation can be obtained. Additionally, we reformulate HKM, FKM, and EKM in a general form of gradient descent and demonstrate how this general form facilitates a uniform study of K-means algorithms.
Authors: Victoria Lin, Eli Ben-Michael, Louis-Philippe Morency
Abstract: As large language models (LLMs) see greater use in academic and commercial settings, there is increasing interest in methods that allow language models to generate texts aligned with human preferences. In this paper, we present an initial exploration of language model optimization for human preferences from direct outcome datasets, where each sample consists of a text and an associated numerical outcome measuring the reader's response. We first propose that language model optimization should be viewed as a causal problem to ensure that the model correctly learns the relationship between the text and the outcome. We formalize this causal language optimization problem, and we develop a method--causal preference optimization (CPO)--that solves an unbiased surrogate objective for the problem. We further extend CPO with doubly robust CPO (DR-CPO), which reduces the variance of the surrogate objective while retaining provably strong guarantees on bias. Finally, we empirically demonstrate the effectiveness of (DR-)CPO in optimizing state-of-the-art LLMs for human preferences on direct outcome data, and we validate the robustness of DR-CPO under difficult confounding conditions.
Authors: Bruno Gavranovi\'c, Paul Lessard, Andrew Dudzik, Tamara von Glehn, Jo\~ao G. M. Ara\'ujo, Petar Veli\v{c}kovi\'c
Abstract: We present our position on the elusive quest for a general-purpose framework for specifying and studying deep learning architectures. Our opinion is that the key attempts made so far lack a coherent bridge between specifying constraints which models must satisfy and specifying their implementations. Focusing on building a such a bridge, we propose to apply category theory -- precisely, the universal algebra of monads valued in a 2-category of parametric maps -- as a single theory elegantly subsuming both of these flavours of neural network design. To defend our position, we show how this theory recovers constraints induced by geometric deep learning, as well as implementations of many architectures drawn from the diverse landscape of neural networks, such as RNNs. We also illustrate how the theory naturally encodes many standard constructs in computer science and automata theory.
Authors: Filippo Lazzati, Mirco Mutti, Alberto Maria Metelli
Abstract: Inverse reinforcement learning (IRL) aims to recover the reward function of an expert agent from demonstrations of behavior. It is well-known that the IRL problem is fundamentally ill-posed, i.e., many reward functions can explain the demonstrations. For this reason, IRL has been recently reframed in terms of estimating the feasible reward set (Metelli et al., 2021), thus, postponing the selection of a single reward. However, so far, the available formulations and algorithmic solutions have been proposed and analyzed mainly for the online setting, where the learner can interact with the environment and query the expert at will. This is clearly unrealistic in most practical applications, where the availability of an offline dataset is a much more common scenario. In this paper, we introduce a novel notion of feasible reward set capturing the opportunities and limitations of the offline setting and we analyze the complexity of its estimation. This requires the introduction an original learning framework that copes with the intrinsic difficulty of the setting, for which the data coverage is not under control. Then, we propose two computationally and statistically efficient algorithms, IRLO and PIRLO, for addressing the problem. In particular, the latter adopts a specific form of pessimism to enforce the novel desirable property of inclusion monotonicity of the delivered feasible set. With this work, we aim to provide a panorama of the challenges of the offline IRL problem and how they can be fruitfully addressed.
Authors: Pedro Seber, Richard D. Braatz
Abstract: Interpretable architectures can have advantages over black-box architectures, and interpretability is essential for the application of machine learning in critical settings, such as aviation or medicine. However, the simplest, most commonly used interpretable architectures, such as LASSO or elastic net (EN), are limited to linear predictions and have poor feature selection capabilities. In this work, we introduce the LASSO-Clip-EN (LCEN) algorithm for the creation of nonlinear, interpretable machine learning models. LCEN is tested on a wide variety of artificial and empirical datasets, frequently creating more accurate, sparser models than other architectures, including those for building sparse, nonlinear models. LCEN is robust against many issues typically present in datasets and modeling, including noise, multicollinearity, data scarcity, and hyperparameter variance. LCEN is also able to rediscover multiple physical laws from empirical data and, for processes with no known physical laws, LCEN achieves better results than many other dense and sparse methods -- including using 10.8-fold fewer features than dense methods and 8.1-fold fewer features than EN on one dataset, and is comparable to or better than ANNs on multiple datasets.
Authors: Yuesong Shen, Nico Daheim, Bai Cong, Peter Nickl, Gian Maria Marconi, Clement Bazan, Rio Yokota, Iryna Gurevych, Daniel Cremers, Mohammad Emtiyaz Khan, Thomas M\"ollenhoff
Abstract: We give extensive empirical evidence against the common belief that variational learning is ineffective for large neural networks. We show that an optimizer called Improved Variational Online Newton (IVON) consistently matches or outperforms Adam for training large networks such as GPT-2 and ResNets from scratch. IVON's computational costs are nearly identical to Adam but its predictive uncertainty is better. We show several new use cases of IVON where we improve finetuning and model merging in Large Language Models, accurately predict generalization error, and faithfully estimate sensitivity to data. We find overwhelming evidence that variational learning is effective.
Authors: Mingjia Huo, Sai Ashish Somayajula, Youwei Liang, Ruisi Zhang, Farinaz Koushanfar, Pengtao Xie
Abstract: Large language models generate high-quality responses with potential misinformation, underscoring the need for regulation by distinguishing AI-generated and human-written texts. Watermarking is pivotal in this context, which involves embedding hidden markers in texts during the LLM inference phase, which is imperceptible to humans. Achieving both the detectability of inserted watermarks and the semantic quality of generated texts is challenging. While current watermarking algorithms have made promising progress in this direction, there remains significant scope for improvement. To address these challenges, we introduce a novel multi-objective optimization (MOO) approach for watermarking that utilizes lightweight networks to generate token-specific watermarking logits and splitting ratios. By leveraging MOO to optimize for both detection and semantic objective functions, our method simultaneously achieves detectability and semantic integrity. Experimental results show that our method outperforms current watermarking techniques in enhancing the detectability of texts generated by LLMs while maintaining their semantic coherence. Our code is available at https://github.com/mignonjia/TS_watermark.
Authors: Pietro Sittoni, Francesco Tudisco
Abstract: Implicit-depth neural networks have grown as powerful alternatives to traditional networks in various applications in recent years. However, these models often lack guarantees of existence and uniqueness, raising stability, performance, and reproducibility issues. In this paper, we present a new analysis of the existence and uniqueness of fixed points for implicit-depth neural networks based on the concept of subhomogeneous operators and the nonlinear Perron-Frobenius theory. Compared to previous similar analyses, our theory allows for weaker assumptions on the parameter matrices, thus yielding a more flexible framework for well-defined implicit networks. We illustrate the performance of the resulting subhomogeneous networks on feedforward, convolutional, and graph neural network examples.
Authors: Yutong Feng, Qiongyan Wang, Yutong Xia, Junlin Huang, Siru Zhong, Yuxuan Liang
Abstract: The air quality inference problem aims to utilize historical data from a limited number of observation sites to infer the air quality index at an unknown location. Considering the sparsity of data due to the high maintenance cost of the stations, good inference algorithms can effectively save the cost and refine the data granularity. While spatio-temporal graph neural networks have made excellent progress on this problem, their non-Euclidean and discrete data structure modeling of reality limits its potential. In this work, we make the first attempt to combine two different spatio-temporal perspectives, fields and graphs, by proposing a new model, Spatio-Temporal Field Neural Network, and its corresponding new framework, Pyramidal Inference. Extensive experiments validate that our model achieves state-of-the-art performance in nationwide air quality inference in the Chinese Mainland, demonstrating the superiority of our proposed model and framework.
Authors: Hyejun Jeong, Shiqing Ma, Amir Houmansadr
Abstract: Federated learning (FL), introduced in 2017, facilitates collaborative learning between non-trusting parties with no need for the parties to explicitly share their data among themselves. This allows training models on user data while respecting privacy regulations such as GDPR and CPRA. However, emerging privacy requirements may mandate model owners to be able to \emph{forget} some learned data, e.g., when requested by data owners or law enforcement. This has given birth to an active field of research called \emph{machine unlearning}. In the context of FL, many techniques developed for unlearning in centralized settings are not trivially applicable! This is due to the unique differences between centralized and distributed learning, in particular, interactivity, stochasticity, heterogeneity, and limited accessibility in FL. In response, a recent line of work has focused on developing unlearning mechanisms tailored to FL. This SoK paper aims to take a deep look at the \emph{federated unlearning} literature, with the goal of identifying research trends and challenges in this emerging field. By carefully categorizing papers published on FL unlearning (since 2020), we aim to pinpoint the unique complexities of federated unlearning, highlighting limitations on directly applying centralized unlearning methods. We compare existing federated unlearning methods regarding influence removal and performance recovery, compare their threat models and assumptions, and discuss their implications and limitations. For instance, we analyze the experimental setup of FL unlearning studies from various perspectives, including data heterogeneity and its simulation, the datasets used for demonstration, and evaluation metrics. Our work aims to offer insights and suggestions for future research on federated unlearning.
Authors: Zhanyu Liu, Ke Hao, Guanjie Zheng, Yanwei Yu
Abstract: Time series data has been demonstrated to be crucial in various research fields. The management of large quantities of time series data presents challenges in terms of deep learning tasks, particularly for training a deep neural network. Recently, a technique named \textit{Dataset Condensation} has emerged as a solution to this problem. This technique generates a smaller synthetic dataset that has comparable performance to the full real dataset in downstream tasks such as classification. However, previous methods are primarily designed for image and graph datasets, and directly adapting them to the time series dataset leads to suboptimal performance due to their inability to effectively leverage the rich information inherent in time series data, particularly in the frequency domain. In this paper, we propose a novel framework named Dataset \textit{\textbf{Cond}}ensation for \textit{\textbf{T}}ime \textit{\textbf{S}}eries \textit{\textbf{C}}lassification via Dual Domain Matching (\textbf{CondTSC}) which focuses on the time series classification dataset condensation task. Different from previous methods, our proposed framework aims to generate a condensed dataset that matches the surrogate objectives in both the time and frequency domains. Specifically, CondTSC incorporates multi-view data augmentation, dual domain training, and dual surrogate objectives to enhance the dataset condensation process in the time and frequency domains. Through extensive experiments, we demonstrate the effectiveness of our proposed framework, which outperforms other baselines and learns a condensed synthetic dataset that exhibits desirable characteristics such as conforming to the distribution of the original data.
Authors: Zijian Liu, Zhengyuan Zhou
Abstract: Shuffling gradient methods are widely used in modern machine learning tasks and include three popular implementations: Random Reshuffle (RR), Shuffle Once (SO), and Incremental Gradient (IG). Compared to the empirical success, the theoretical guarantee of shuffling gradient methods was not well-understood for a long time. Until recently, the convergence rates had just been established for the average iterate for convex functions and the last iterate for strongly convex problems (using squared distance as the metric). However, when using the function value gap as the convergence criterion, existing theories cannot interpret the good performance of the last iterate in different settings (e.g., constrained optimization). To bridge this gap between practice and theory, we prove the first last-iterate convergence rates for shuffling gradient methods with respect to the objective value even without strong convexity. Our new results either (nearly) match the existing last-iterate lower bounds or are as fast as the previous best upper bounds for the average iterate.
Authors: Liu Junhua, Albrethsen Justin, Goh Lincoln, Yau David, Lim Kwan Hui
Abstract: Resource allocation in tactical ad-hoc networks presents unique challenges due to their dynamic and multi-hop nature. Accurate prediction of future network connectivity is essential for effective resource allocation in such environments. In this paper, we introduce the Spatial-Temporal Graph Encoder-Decoder (STGED) framework for Tactical Communication Networks that leverages both spatial and temporal features of network states to learn latent tactical behaviors effectively. STGED hierarchically utilizes graph-based attention mechanism to spatially encode a series of communication network states, leverages a recurrent neural network to temporally encode the evolution of states, and a fully-connected feed-forward network to decode the connectivity in the future state. Through extensive experiments, we demonstrate that STGED consistently outperforms baseline models by large margins across different time-steps input, achieving an accuracy of up to 99.2\% for the future state prediction task of tactical communication networks.
Authors: Lynn Chua, Badih Ghazi, Pritish Kamath, Ravi Kumar, Pasin Manurangsi, Amer Sinha, Chiyuan Zhang
Abstract: We demonstrate a substantial gap between the privacy guarantees of the Adaptive Batch Linear Queries (ABLQ) mechanism under different types of batch sampling: (i) Shuffling, and (ii) Poisson subsampling; the typical analysis of Differentially Private Stochastic Gradient Descent (DP-SGD) follows by interpreting it as a post-processing of ABLQ. While shuffling-based DP-SGD is more commonly used in practical implementations, it has not been amenable to easy privacy analysis, either analytically or even numerically. On the other hand, Poisson subsampling-based DP-SGD is challenging to scalably implement, but has a well-understood privacy analysis, with multiple open-source numerically tight privacy accountants available. This has led to a common practice of using shuffling-based DP-SGD in practice, but using the privacy analysis for the corresponding Poisson subsampling version. Our result shows that there can be a substantial gap between the privacy analysis when using the two types of batch sampling, and thus advises caution in reporting privacy parameters for DP-SGD.
Authors: Ravi Chepuri, Dael Amzalag, Thomas Antonsen Jr., Michelle Girvan
Abstract: Reservoir computers (RCs) are powerful machine learning architectures for time series prediction. Recently, next generation reservoir computers (NGRCs) have been introduced, offering distinct advantages over RCs, such as reduced computational expense and lower training data requirements. However, NGRCs have their own practical difficulties, including sensitivity to sampling time and type of nonlinearities in the data. Here, we introduce a hybrid RC-NGRC approach for time series forecasting of dynamical systems. We show that our hybrid approach can produce accurate short term predictions and capture the long term statistics of chaotic dynamical systems in situations where the RC and NGRC components alone are insufficient, e.g., due to constraints from limited computational resources, sub-optimal hyperparameters, sparsely-sampled training data, etc. Under these conditions, we show for multiple model chaotic systems that the hybrid RC-NGRC method with a small reservoir can achieve prediction performance approaching that of a traditional RC with a much larger reservoir, illustrating that the hybrid approach can offer significant gains in computational efficiency over traditional RCs while simultaneously addressing some of the limitations of NGRCs. Our results suggest that hybrid RC-NGRC approach may be particularly beneficial in cases when computational efficiency is a high priority and an NGRC alone is not adequate.
Authors: Zelei Cheng, Xian Wu, Jiahao Yu, Sabrina Yang, Gang Wang, Xinyu Xing
Abstract: Deep reinforcement learning (DRL) is playing an increasingly important role in real-world applications. However, obtaining an optimally performing DRL agent for complex tasks, especially with sparse rewards, remains a significant challenge. The training of a DRL agent can be often trapped in a bottleneck without further progress. In this paper, we propose RICE, an innovative refining scheme for reinforcement learning that incorporates explanation methods to break through the training bottlenecks. The high-level idea of RICE is to construct a new initial state distribution that combines both the default initial states and critical states identified through explanation methods, thereby encouraging the agent to explore from the mixed initial states. Through careful design, we can theoretically guarantee that our refining scheme has a tighter sub-optimality bound. We evaluate RICE in various popular RL environments and real-world applications. The results demonstrate that RICE significantly outperforms existing refining schemes in enhancing agent performance.
Authors: Mingfei Lu, Chenxu Li, Shujian Yu, Robert Jenssen, Badong Chen
Abstract: Divergence measures play a central role and become increasingly essential in deep learning, yet efficient measures for multiple (more than two) distributions are rarely explored. This becomes particularly crucial in areas where the simultaneous management of multiple distributions is both inevitable and essential. Examples include clustering, multi-source domain adaptation or generalization, and multi-view learning, among others. While computing the mean of pairwise distances between any two distributions is a prevalent method to quantify the total divergence among multiple distributions, it is imperative to acknowledge that this approach is not straightforward and necessitates significant computational resources. In this study, we introduce a new divergence measure tailored for multiple distributions named the generalized Cauchy-Schwarz divergence (GCSD). Additionally, we furnish a kernel-based closed-form sample estimator, making it convenient and straightforward to use in various machine-learning applications. Finally, we explore its profound implications in the realm of deep learning by applying it to tackle two thoughtfully chosen machine-learning tasks: deep clustering and multi-source domain adaptation. Our extensive experimental investigations confirm the robustness and effectiveness of GCSD in both scenarios. The findings also underscore the innovative potential of GCSD and its capability to significantly propel machine learning methodologies that necessitate the quantification of multiple distributions.
Authors: Andrew Kyle Lampinen, Stephanie C. Y. Chan, Katherine Hermann
Abstract: Representation learning, and interpreting learned representations, are key areas of focus in machine learning and neuroscience. Both fields generally use representations as a means to understand or improve a system's computations. In this work, however, we explore surprising dissociations between representation and computation that may pose challenges for such efforts. We create datasets in which we attempt to match the computational role that different features play, while manipulating other properties of the features or the data. We train various deep learning architectures to compute these multiple abstract features about their inputs. We find that their learned feature representations are systematically biased towards representing some features more strongly than others, depending upon extraneous properties such as feature complexity, the order in which features are learned, and the distribution of features over the inputs. For example, features that are simpler to compute or learned first tend to be represented more strongly and densely than features that are more complex or learned later, even if all features are learned equally well. We also explore how these biases are affected by architectures, optimizers, and training regimes (e.g., in transformers, features decoded earlier in the output sequence also tend to be represented more strongly). Our results help to characterize the inductive biases of gradient-based representation learning. These results also highlight a key challenge for interpretability $-$ or for comparing the representations of models and brains $-$ disentangling extraneous biases from the computationally important aspects of a system's internal representations.
Authors: Aakash Tripathi, Asim Waqas, Yasin Yilmaz, Ghulam Rasool
Abstract: Developing accurate machine learning models for oncology requires large-scale, high-quality multimodal datasets. However, creating such datasets remains challenging due to the complexity and heterogeneity of medical data. To address this challenge, we introduce HoneyBee, a scalable modular framework for building multimodal oncology datasets that leverages foundation models to generate representative embeddings. HoneyBee integrates various data modalities, including clinical diagnostic and pathology imaging data, medical notes, reports, records, and molecular data. It employs data preprocessing techniques and foundation models to generate embeddings that capture the essential features and relationships within the raw medical data. The generated embeddings are stored in a structured format using Hugging Face datasets and PyTorch dataloaders for accessibility. Vector databases enable efficient querying and retrieval for machine learning applications. We demonstrate the effectiveness of HoneyBee through experiments assessing the quality and representativeness of these embeddings. The framework is designed to be extensible to other medical domains and aims to accelerate oncology research by providing high-quality, machine learning-ready datasets. HoneyBee is an ongoing open-source effort, and the code, datasets, and models are available at the project repository.
Authors: Canlin Zhang, Xiuwen Liu
Abstract: Deep neural networks trained in an end-to-end manner are proven to be efficient in a wide range of machine learning tasks. However, there is one drawback of end-to-end learning: The learned features and information are implicitly represented in neural network parameters, which cannot be used as regularities, concepts or knowledge to explicitly represent the data probability distribution. To resolve this issue, we propose in this paper a new machine learning theory, which defines in mathematics what are regularities. Briefly, regularities are concise representations of the non-random features, or 'non-randomness' in the data probability distribution. Combining this with information theory, we claim that regularities can also be regarded as a small amount of information encoding a large amount of information. Our theory is based on spiking functions. That is, if a function can react to, or spike on specific data samples more frequently than random noise inputs, we say that such a function discovers non-randomness from the data distribution. Also, we say that the discovered non-randomness is encoded into regularities if the function is simple enough. Our theory also discusses applying multiple spiking functions to the same data distribution. In this process, we claim that the 'best' regularities, or the optimal spiking functions, are those who can capture the largest amount of information from the data distribution, and then encode the captured information in the most concise way. Theorems and hypotheses are provided to describe in mathematics what are 'best' regularities and optimal spiking functions. Finally, we propose a machine learning approach, which can potentially obtain the optimal spiking functions regarding the given dataset in practice.
Authors: S. Akansha
Abstract: Graph Neural Networks (GNNs) have emerged as potent tools for predicting outcomes in graph-structured data. Despite their efficacy, a significant drawback of GNNs lies in their limited ability to provide robust uncertainty estimates, posing challenges to their reliability in contexts where errors carry significant consequences. Moreover, GNNs typically excel in in-distribution settings, assuming that training and test data follow identical distributions a condition often unmet in real world graph data scenarios. In this article, we leverage conformal prediction, a widely recognized statistical technique for quantifying uncertainty by transforming predictive model outputs into prediction sets, to address uncertainty quantification in GNN predictions amidst conditional shift\footnote{Representing the change in conditional probability distribution \(P(label|input)\) from source domain to target domain.} in graph-based semi-supervised learning (SSL). Additionally, we propose a novel loss function aimed at refining model predictions by minimizing conditional shift in latent stages. Termed Conditional Shift Robust (CondSR) conformal prediction for GNNs, our approach CondSR is model-agnostic and adaptable to various classification models. We validate the effectiveness of our method on standard graph benchmark datasets, integrating it with state-of-the-art GNNs in node classification tasks. Comprehensive evaluations demonstrate that our approach consistently achieves any predefined target marginal coverage, enhances the accuracy of state of the art GNN models by up to 12\% under conditional shift, and reduces the prediction set size by up to 48\%. The code implementation is publicly available for further exploration and experimentation.
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: 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: 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) using predicted (apo) protein structures for docking (e.g., for broad applicability); (2) docking multiple ligands concurrently to a given target protein (e.g., for enzyme design); and (3) having no prior knowledge of binding pockets (e.g., for pocket generalization). 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: Feng Xie, Zheng Li, Peng Wu, Yan Zeng, Chunchen Liu, Zhi Geng
Abstract: Discovering causal relationships from observational data, particularly in the presence of latent variables, poses a challenging problem. While current local structure learning methods have proven effective and efficient when the focus lies solely on the local relationships of a target variable, they operate under the assumption of causal sufficiency. This assumption implies that all the common causes of the measured variables are observed, leaving no room for latent variables. Such a premise can be easily violated in various real-world applications, resulting in inaccurate structures that may adversely impact downstream tasks. In light of this, our paper delves into the primary investigation of locally identifying potential parents and children of a target from observational data that may include latent variables. Specifically, we harness the causal information from m-separation and V-structures to derive theoretical consistency results, effectively bridging the gap between global and local structure learning. Together with the newly developed stop rules, we present a principled method for determining whether a variable is a direct cause or effect of a target. Further, we theoretically demonstrate the correctness of our approach under the standard causal Markov and faithfulness conditions, with infinite samples. Experimental results on both synthetic and real-world data validate the effectiveness and efficiency of our approach.
Authors: Zhi Zheng, Shunyu Yao, Zhenkun Wang, Xialiang Tong, Mingxuan Yuan, Ke Tang
Abstract: The min-max vehicle routing problem (min-max VRP) traverses all given customers by assigning several routes and aims to minimize the length of the longest route. Recently, reinforcement learning (RL)-based sequential planning methods have exhibited advantages in solving efficiency and optimality. However, these methods fail to exploit the problem-specific properties in learning representations, resulting in less effective features for decoding optimal routes. This paper considers the sequential planning process of min-max VRPs as two coupled optimization tasks: customer partition for different routes and customer navigation in each route (i.e., partition and navigation). To effectively process min-max VRP instances, we present a novel attention-based Partition-and-Navigation encoder (P&N Encoder) that learns distinct embeddings for partition and navigation. Furthermore, we utilize an inherent symmetry in decoding routes and develop an effective agent-permutation-symmetric (APS) loss function. Experimental results demonstrate that the proposed Decoupling-Partition-Navigation (DPN) method significantly surpasses existing learning-based methods in both single-depot and multi-depot min-max VRPs. Our code is available at
Authors: Gefan Yang, Elizabeth Louise Baker, Michael L. Severinsen, Christy Anna Hipsley, Stefan Sommer
Abstract: The diffusion bridge is a type of diffusion process that conditions on hitting a specific state within a finite time period. It has broad applications in fields such as Bayesian inference, financial mathematics, control theory, and shape analysis. However, simulating the diffusion bridge for natural data can be challenging due to both the intractability of the drift term and continuous representations of the data. Although several methods are available to simulate finite-dimensional diffusion bridges, infinite-dimensional cases remain unresolved. In the paper, we present a solution to this problem by merging score-matching techniques with operator learning, enabling a direct approach to score-matching for the infinite-dimensional bridge. We construct the score to be discretization invariant, which is natural given the underlying spatially continuous process. We conduct a series of experiments, ranging from synthetic examples with closed-form solutions to the stochastic nonlinear evolution of real-world biological shape data, and our method demonstrates high efficacy, particularly due to its ability to adapt to any resolution without extra training.
Authors: Jihao Andreas Lin, Shreyas Padhy, Bruno Mlodozeniec, Javier Antor\'an, Jos\'e Miguel Hern\'andez-Lobato
Abstract: Scaling hyperparameter optimisation to very large datasets remains an open problem in the Gaussian process community. This paper focuses on iterative methods, which use linear system solvers, like conjugate gradients, alternating projections or stochastic gradient descent, to construct an estimate of the marginal likelihood gradient. We discuss three key improvements which are applicable across solvers: (i) a pathwise gradient estimator, which reduces the required number of solver iterations and amortises the computational cost of making predictions, (ii) warm starting linear system solvers with the solution from the previous step, which leads to faster solver convergence at the cost of negligible bias, (iii) early stopping linear system solvers after a limited computational budget, which synergises with warm starting, allowing solver progress to accumulate over multiple marginal likelihood steps. These techniques provide speed-ups of up to $72\times$ when solving to tolerance, and decrease the average residual norm by up to $7\times$ when stopping early.
Authors: Michail Theologitis, Georgios Frangias, Georgios Anestis, Vasilis Samoladas, Antonios Deligiannakis
Abstract: Driven by the ever-growing volume and decentralized nature of data, coupled with the need to harness this data and generate knowledge from it, has led to the extensive use of distributed deep learning (DDL) techniques for training. These techniques rely on local training that is performed at the distributed nodes based on locally collected data, followed by a periodic synchronization process that combines these models to create a global model. However, frequent synchronization of DL models, encompassing millions to many billions of parameters, creates a communication bottleneck, severely hindering scalability. Worse yet, DDL algorithms typically waste valuable bandwidth, and make themselves less practical in bandwidth-constrained federated settings, by relying on overly simplistic, periodic, and rigid synchronization schedules. These drawbacks also have a direct impact on the time required for the training process, necessitating excessive time for data communication. To address these shortcomings, we propose Federated Dynamic Averaging (FDA), a communication-efficient DDL strategy that dynamically triggers synchronization based on the value of the model variance. In essence, the costly synchronization step is triggered only if the local models, which are initialized from a common global model after each synchronization, have significantly diverged. This decision is facilitated by the communication of a small local state from each distributed node/worker. Through extensive experiments across a wide range of learning tasks we demonstrate that FDA reduces communication cost by orders of magnitude, compared to both traditional and cutting-edge communication-efficient algorithms. Additionally, we show that FDA maintains robust performance across diverse data heterogeneity settings.
Authors: Jincheng Zhong, Xingzhuo Guo, Jiaxiang Dong, Mingsheng Long
Abstract: Diffusion models have significantly advanced the field of generative modeling. However, training a diffusion model is computationally expensive, creating a pressing need to adapt off-the-shelf diffusion models for downstream generation tasks. Current fine-tuning methods focus on parameter-efficient transfer learning but overlook the fundamental transfer characteristics of diffusion models. In this paper, we investigate the transferability of diffusion models and observe a monotonous chain of forgetting trend of transferability along the reverse process. Based on this observation and novel theoretical insights, we present Diff-Tuning, a frustratingly simple transfer approach that leverages the chain of forgetting tendency. Diff-Tuning encourages the fine-tuned model to retain the pre-trained knowledge at the end of the denoising chain close to the generated data while discarding the other noise side. We conduct comprehensive experiments to evaluate Diff-Tuning, including the transfer of pre-trained Diffusion Transformer models to eight downstream generations and the adaptation of Stable Diffusion to five control conditions with ControlNet. Diff-Tuning achieves a 26% improvement over standard fine-tuning and enhances the convergence speed of ControlNet by 24%. Notably, parameter-efficient transfer learning techniques for diffusion models can also benefit from Diff-Tuning.
Authors: Noah Golowich, Elad Hazan, Zhou Lu, Dhruv Rohatgi, Y. Jennifer Sun
Abstract: The study of population dynamics originated with early sociological works but has since extended into many fields, including biology, epidemiology, evolutionary game theory, and economics. Most studies on population dynamics focus on the problem of prediction rather than control. Existing mathematical models for control in population dynamics are often restricted to specific, noise-free dynamics, while real-world population changes can be complex and adversarial. To address this gap, we propose a new framework based on the paradigm of online control. We first characterize a set of linear dynamical systems that can naturally model evolving populations. We then give an efficient gradient-based controller for these systems, with near-optimal regret bounds with respect to a broad class of linear policies. Our empirical evaluations demonstrate the effectiveness of the proposed algorithm for control in population dynamics even for non-linear models such as SIR and replicator dynamics.
Authors: Bingheng Li, Linxin Yang, Yupeng Chen, Senmiao Wang, Qian Chen, Haitao Mao, Yao Ma, Akang Wang, Tian Ding, Jiliang Tang, Ruoyu Sun
Abstract: Solving large-scale linear programming (LP) problems is an important task in various areas such as communication networks, power systems, finance and logistics. Recently, two distinct approaches have emerged to expedite LP solving: (i) First-order methods (FOMs); (ii) Learning to optimize (L2O). In this work, we propose an FOM-unrolled neural network (NN) called PDHG-Net, and propose a two-stage L2O method to solve large-scale LP problems. The new architecture PDHG-Net is designed by unrolling the recently emerged PDHG method into a neural network, combined with channel-expansion techniques borrowed from graph neural networks. We prove that the proposed PDHG-Net can recover PDHG algorithm, thus can approximate optimal solutions of LP instances with a polynomial number of neurons. We propose a two-stage inference approach: first use PDHG-Net to generate an approximate solution, and then apply PDHG algorithm to further improve the solution. Experiments show that our approach can significantly accelerate LP solving, achieving up to a 3$\times$ speedup compared to FOMs for large-scale LP problems.
Authors: Marianna Nezhurina, Lucia Cipolina-Kun, Mehdi Cherti, Jenia Jitsev
Abstract: Large Language Models (LLMs) are often described as being instances of foundation models - that is, models that transfer strongly across various tasks and conditions in few-show or zero-shot manner, while exhibiting scaling laws that predict function improvement when increasing the pre-training scale. These claims of excelling in different functions and tasks rely on measurements taken across various sets of standardized benchmarks showing high scores for such models. We demonstrate here a dramatic breakdown of function and reasoning capabilities of state-of-the-art models trained at the largest available scales which claim strong function, using a simple, short, conventional common sense problem formulated in concise natural language, easily solvable by humans. The breakdown is dramatic, as models also express strong overconfidence in their wrong solutions, while providing often non-sensical "reasoning"-like explanations akin to confabulations to justify and backup the validity of their clearly failed responses, making them sound plausible. Various standard interventions in an attempt to get the right solution, like various type of enhanced prompting, or urging the models to reconsider the wrong solutions again by multi step re-evaluation, fail. We take these initial observations to the scientific and technological community to stimulate urgent re-assessment of the claimed capabilities of current generation of LLMs, Such re-assessment also requires common action to create standardized benchmarks that would allow proper detection of such basic reasoning deficits that obviously manage to remain undiscovered by current state-of-the-art evaluation procedures and benchmarks. Code for reproducing experiments in the paper and raw experiments data can be found at https://github.com/LAION-AI/AIW
Authors: Arjun Singh, Nikhil Pandey, Anup Shirgaonkar, Pavan Manoj, Vijay Aski
Abstract: Fine-tuning large language models is a popular choice among users trying to adapt them for specific applications. However, fine-tuning these models is a demanding task because the user has to examine several factors, such as resource budget, runtime, model size and context length among others. A specific challenge is that fine-tuning is memory intensive, imposing constraints on the required hardware memory and context length of training data that can be handled. In this work, we share a detailed study on a variety of fine-tuning optimizations across different fine-tuning scenarios. In particular, we assess Gradient Checkpointing, Low-Rank Adaptation, DeepSpeed's Zero Redundancy Optimizer and FlashAttention. With a focus on memory and runtime, we examine the impact of different optimization combinations on GPU memory usage and execution runtime during fine-tuning phase. We provide our recommendation on the best default optimization for balancing memory and runtime across diverse model sizes. We share effective strategies for fine-tuning very large models with tens or hundreds of billions of parameters and enabling large context lengths during fine-tuning. Furthermore, we propose the appropriate optimization mixtures for fine-tuning under GPU resource limitations.
Authors: Jifei Luo, Hantao Yao, Changsheng Xu
Abstract: Diffusion-based re-ranking is a common method used for retrieving instances by performing similarity propagation in a nearest neighbor graph. However, existing techniques that construct the affinity graph based on pairwise instances can lead to the propagation of misinformation from outliers and other manifolds, resulting in inaccurate results. To overcome this issue, we propose a novel Cluster-Aware Similarity (CAS) diffusion for instance retrieval. The primary concept of CAS is to conduct similarity diffusion within local clusters, which can reduce the influence from other manifolds explicitly. To obtain a symmetrical and smooth similarity matrix, our Bidirectional Similarity Diffusion strategy introduces an inverse constraint term to the optimization objective of local cluster diffusion. Additionally, we have optimized a Neighbor-guided Similarity Smoothing approach to ensure similarity consistency among the local neighbors of each instance. Evaluations in instance retrieval and object re-identification validate the effectiveness of the proposed CAS, our code is publicly available.
Authors: Zhanyu Liu, Jianrong Ding, Guanjie Zheng
Abstract: The field of Intelligent Transportation Systems (ITS) relies on accurate traffic forecasting to enable various downstream applications. However, developing cities often face challenges in collecting sufficient training traffic data due to limited resources and outdated infrastructure. Recognizing this obstacle, the concept of cross-city few-shot forecasting has emerged as a viable approach. While previous cross-city few-shot forecasting methods ignore the frequency similarity between cities, we have made an observation that the traffic data is more similar in the frequency domain between cities. Based on this fact, we propose a \textbf{F}requency \textbf{E}nhanced \textbf{P}re-training Framework for \textbf{Cross}-city Few-shot Forecasting (\textbf{FEPCross}). FEPCross has a pre-training stage and a fine-tuning stage. In the pre-training stage, we propose a novel Cross-Domain Spatial-Temporal Encoder that incorporates the information of the time and frequency domain and trains it with self-supervised tasks encompassing reconstruction and contrastive objectives. In the fine-tuning stage, we design modules to enrich training samples and maintain a momentum-updated graph structure, thereby mitigating the risk of overfitting to the few-shot training data. Empirical evaluations performed on real-world traffic datasets validate the exceptional efficacy of FEPCross, outperforming existing approaches of diverse categories and demonstrating characteristics that foster the progress of cross-city few-shot forecasting.
Authors: Yuxuan Chen, Rongpeng Li, Xiaoxue Yu, Zhifeng Zhao, Honggang Zhang
Abstract: Optimizing the deployment of large language models (LLMs) in edge computing environments is critical for enhancing privacy and computational efficiency. Toward efficient wireless LLM inference in edge computing, this study comprehensively analyzes the impact of different splitting points in mainstream open-source LLMs. On this basis, this study introduces a framework taking inspiration from model-based reinforcement learning (MBRL) to determine the optimal splitting point across the edge and user equipment (UE). By incorporating a reward surrogate model, our approach significantly reduces the computational cost of frequent performance evaluations. Extensive simulations demonstrate that this method effectively balances inference performance and computational load under varying network conditions, providing a robust solution for LLM deployment in decentralized settings.
Authors: Shay Deutsch, Lionel Yelibi, Alex Tong Lin, Arjun Ravi Kannan
Abstract: Deriving meaningful representations from complex, high-dimensional data in unsupervised settings is crucial across diverse machine learning applications. This paper introduces a framework for multi-scale graph network embedding based on spectral graph wavelets that employs a contrastive learning approach. A significant feature of the proposed embedding is its capacity to establish a correspondence between the embedding space and the input feature space which aids in deriving feature importance of the original features. We theoretically justify our approach and demonstrate that, in Paley-Wiener spaces on combinatorial graphs, the spectral graph wavelets operator offers greater flexibility and better control over smoothness properties compared to the Laplacian operator. We validate the effectiveness of our proposed graph embedding on a variety of public datasets through a range of downstream tasks, including clustering and unsupervised feature importance.
Authors: Brian K Chen, Tianyang Hu, Hui Jin, Hwee Kuan Lee, Kenji Kawaguchi
Abstract: In-Context Learning (ICL) has been a powerful emergent property of large language models that has attracted increasing attention in recent years. In contrast to regular gradient-based learning, ICL is highly interpretable and does not require parameter updates. In this paper, we show that, for linearized transformer networks, ICL can be made explicit and permanent through the inclusion of bias terms. We mathematically demonstrate the equivalence between a model with ICL demonstration prompts and the same model with the additional bias terms. Our algorithm (ICLCA) allows for exact conversion in an inexpensive manner. Existing methods are not exact and require expensive parameter updates. We demonstrate the efficacy of our approach through experiments that show the exact incorporation of ICL tokens into a linear transformer. We further suggest how our method can be adapted to achieve cheap approximate conversion of ICL tokens, even in regular transformer networks that are not linearized. Our experiments on GPT-2 show that, even though the conversion is only approximate, the model still gains valuable context from the included bias terms.
Authors: George Nehma, Madhur Tiwari
Abstract: Multi-layer perceptrons (MLP's) have been extensively utilized in discovering Deep Koopman operators for linearizing nonlinear dynamics. With the emergence of Kolmogorov-Arnold Networks (KANs) as a more efficient and accurate alternative to the MLP Neural Network, we propose a comparison of the performance of each network type in the context of learning Koopman operators with control. In this work, we propose a KANs-based deep Koopman framework with applications to an orbital Two-Body Problem (2BP) and the pendulum for data-driven discovery of linear system dynamics. KANs were found to be superior in nearly all aspects of training; learning 31 times faster, being 15 times more parameter efficiency, and predicting 1.25 times more accurately as compared to the MLP Deep Neural Networks (DNNs) in the case of the 2BP. Thus, KANs shows potential for being an efficient tool in the development of Deep Koopman Theory.
Authors: Lorenzo Sciandra, Roberto Esposito, Andrea Cesare Grosso, Laura Sacerdote, Cristina Zucca
Abstract: This article demonstrates the effectiveness of employing a deep learning model in an optimization pipeline. Specifically, in a generic exact algorithm for a NP problem, multiple heuristic criteria are usually used to guide the search of the optimum within the set of all feasible solutions. In this context, neural networks can be leveraged to rapidly acquire valuable information, enabling the identification of a more expedient path in this vast space. So, after the explanation of the tackled traveling salesman problem, the implemented branch and bound for its classical resolution is described. This algorithm is then compared with its hybrid version termed "graph convolutional branch and bound" that integrates the previous branch and bound with a graph convolutional neural network. The empirical results obtained highlight the efficacy of this approach, leading to conclusive findings and suggesting potential directions for future research.
Authors: Veljko Kova\v{c}, Erik J. Bekkers, Pietro Li\`o, Floor Eijkelboom
Abstract: This paper introduces E(n) Equivariant Message Passing Cellular Networks (EMPCNs), an extension of E(n) Equivariant Graph Neural Networks to CW-complexes. Our approach addresses two aspects of geometric message passing networks: 1) enhancing their expressiveness by incorporating arbitrary cells, and 2) achieving this in a computationally efficient way with a decoupled EMPCNs technique. We demonstrate that EMPCNs achieve close to state-of-the-art performance on multiple tasks without the need for steerability, including many-body predictions and motion capture. Moreover, ablation studies confirm that decoupled EMPCNs exhibit stronger generalization capabilities than their non-topologically informed counterparts. These findings show that EMPCNs can be used as a scalable and expressive framework for higher-order message passing in geometric and topological graphs
Authors: Marvin Schmitt, Paul-Christian B\"urkner, Ullrich K\"othe, Stefan T. Radev
Abstract: Recent advances in probabilistic deep learning enable efficient amortized Bayesian inference in settings where the likelihood function is only implicitly defined by a simulation program (simulation-based inference; SBI). But how faithful is such inference if the simulation represents reality somewhat inaccurately, that is, if the true system behavior at test time deviates from the one seen during training? We conceptualize the types of such model misspecification arising in SBI and systematically investigate how the performance of neural posterior approximators gradually deteriorates as a consequence, making inference results less and less trustworthy. To notify users about this problem, we propose a new misspecification measure that can be trained in an unsupervised fashion (i.e., without training data from the true distribution) and reliably detects model misspecification at test time. Our experiments clearly demonstrate the utility of our new measure both on toy examples with an analytical ground-truth and on representative scientific tasks in cell biology, cognitive decision making, disease outbreak dynamics, and computer vision. We show how the proposed misspecification test warns users about suspicious outputs, raises an alarm when predictions are not trustworthy, and guides model designers in their search for better simulators.
Authors: Akshit Sinha, Sreeram Vennam, Charu Sharma, Ponnurangam Kumaraguru
Abstract: Recent advancements in graph learning contributed to explaining predictions generated by Graph Neural Networks. However, existing methodologies often fall short when applied to real-world datasets. We introduce HOGE, a framework to capture higher-order structures using cell complexes, which excel at modeling higher-order relationships. In the real world, higher-order structures are ubiquitous like in molecules or social networks, thus our work significantly enhances the practical applicability of graph explanations. HOGE produces clearer and more accurate explanations compared to prior methods. Our method can be integrated with all existing graph explainers, ensuring seamless integration into current frameworks. We evaluate on GraphXAI benchmark datasets, HOGE achieves improved or comparable performance with minimal computational overhead. Ablation studies show that the performance gain observed can be attributed to the higher-order structures that come from introducing cell complexes.
Authors: \c{C}a\u{g}lar H{\i}zl{\i}, \c{C}a\u{g}atay Y{\i}ld{\i}z, Matthias Bethge, ST John, Pekka Marttinen
Abstract: This work aims to improve generalization and interpretability of dynamical systems by recovering the underlying lower-dimensional latent states and their time evolutions. Previous work on disentangled representation learning within the realm of dynamical systems focused on the latent states, possibly with linear transition approximations. As such, they cannot identify nonlinear transition dynamics, and hence fail to reliably predict complex future behavior. Inspired by the advances in nonlinear ICA, we propose a state-space modeling framework in which we can identify not just the latent states but also the unknown transition function that maps the past states to the present. We introduce a practical algorithm based on variational auto-encoders and empirically demonstrate in realistic synthetic settings that we can (i) recover latent state dynamics with high accuracy, (ii) correspondingly achieve high future prediction accuracy, and (iii) adapt fast to new environments.
Authors: Tianren Zhang, Chujie Zhao, Guanyu Chen, Yizhou Jiang, Feng Chen
Abstract: Learning representations that generalize under distribution shifts is critical for building robust machine learning models. However, despite significant efforts in recent years, algorithmic advances in this direction have been limited. In this work, we seek to understand the fundamental difficulty of out-of-distribution generalization with deep neural networks. We first empirically show that perhaps surprisingly, even allowing a neural network to explicitly fit the representations obtained from a teacher network that can generalize out-of-distribution is insufficient for the generalization of the student network. Then, by a theoretical study of two-layer ReLU networks optimized by stochastic gradient descent (SGD) under a structured feature model, we identify a fundamental yet unexplored feature learning proclivity of neural networks, feature contamination: neural networks can learn uncorrelated features together with predictive features, resulting in generalization failure under distribution shifts. Notably, this mechanism essentially differs from the prevailing narrative in the literature that attributes the generalization failure to spurious correlations. Overall, our results offer new insights into the non-linear feature learning dynamics of neural networks and highlight the necessity of considering inductive biases in out-of-distribution generalization.
Authors: Akhil Jalan, Arya Mazumdar, Soumendu Sundar Mukherjee, Purnamrita Sarkar
Abstract: We study transfer learning for estimation in latent variable network models. In our setting, the conditional edge probability matrices given the latent variables are represented by $P$ for the source and $Q$ for the target. We wish to estimate $Q$ given two kinds of data: (1) edge data from a subgraph induced by an $o(1)$ fraction of the nodes of $Q$, and (2) edge data from all of $P$. If the source $P$ has no relation to the target $Q$, the estimation error must be $\Omega(1)$. However, we show that if the latent variables are shared, then vanishing error is possible. We give an efficient algorithm that utilizes the ordering of a suitably defined graph distance. Our algorithm achieves $o(1)$ error and does not assume a parametric form on the source or target networks. Next, for the specific case of Stochastic Block Models we prove a minimax lower bound and show that a simple algorithm achieves this rate. Finally, we empirically demonstrate our algorithm's use on real-world and simulated graph transfer problems.
Authors: Yunpeng Zhao, Ning Hao, Ji Zhu
Abstract: Bipartite graphs are ubiquitous across various scientific and engineering fields. Simultaneously grouping the two types of nodes in a bipartite graph via biclustering represents a fundamental challenge in network analysis for such graphs. The latent block model (LBM) is a commonly used model-based tool for biclustering. However, the effectiveness of the LBM is often limited by the influence of row and column sums in the data matrix. To address this limitation, we introduce the degree-corrected latent block model (DC-LBM), which accounts for the varying degrees in row and column clusters, significantly enhancing performance on real-world data sets and simulated data. We develop an efficient variational expectation-maximization algorithm by creating closed-form solutions for parameter estimates in the M steps. Furthermore, we prove the label consistency and the rate of convergence of the variational estimator under the DC-LBM, allowing the expected graph density to approach zero as long as the average expected degrees of rows and columns approach infinity when the size of the graph increases.
Authors: Emanuele Brugnoli, Marco Delmastro
Abstract: The Covid-19 pandemic has sparked renewed attention on the prevalence of misinformation online, whether intentional or not, underscoring the potential risks posed to individuals' quality of life associated with the dissemination of misconceptions and enduring myths on health-related subjects. In this study, we analyze 6 years (2016-2021) of Italian vaccine debate across diverse social media platforms (Facebook, Instagram, Twitter, YouTube), encompassing all major news sources - both questionable and reliable. We first use the symbolic transfer entropy analysis of news production time-series to dynamically determine which category of sources, questionable or reliable, causally drives the agenda on vaccines. Then, leveraging deep learning models capable to accurately classify vaccine-related content based on the conveyed stance and discussed topic, respectively, we evaluate the focus on various topics by news sources promoting opposing views and compare the resulting user engagement. Aside from providing valuable resources for further investigation of vaccine-related misinformation, particularly in a language (Italian) that receives less attention in scientific research compared to languages like English, our study uncovers misinformation not as a parasite of the news ecosystem that merely opposes the perspectives offered by mainstream media, but as an autonomous force capable of even overwhelming the production of vaccine-related content from the latter. While the pervasiveness of misinformation is evident in the significantly higher engagement of questionable sources compared to reliable ones, our findings underscore the importance of consistent and thorough pro-vax coverage. This is especially crucial in addressing the most sensitive topics where the risk of misinformation spreading and potentially exacerbating negative attitudes toward vaccines among the users involved is higher.
Authors: Khoa D. Doan, Jianwen Xie, Yaxuan Zhu, Yang Zhao, Ping Li
Abstract: Leveraging supervised information can lead to superior retrieval performance in the image hashing domain but the performance degrades significantly without enough labeled data. One effective solution to boost performance is to employ generative models, such as Generative Adversarial Networks (GANs), to generate synthetic data in an image hashing model. However, GAN-based methods are difficult to train, which prevents the hashing approaches from jointly training the generative models and the hash functions. This limitation results in sub-optimal retrieval performance. To overcome this limitation, we propose a novel framework, the generative cooperative hashing network, which is based on energy-based cooperative learning. This framework jointly learns a powerful generative representation of the data and a robust hash function via two components: a top-down contrastive pair generator that synthesizes contrastive images and a bottom-up multipurpose descriptor that simultaneously represents the images from multiple perspectives, including probability density, hash code, latent code, and category. The two components are jointly learned via a novel likelihood-based cooperative learning scheme. We conduct experiments on several real-world datasets and show that the proposed method outperforms the competing hashing supervised methods, achieving up to 10\% relative improvement over the current state-of-the-art supervised hashing methods, and exhibits a significantly better performance in out-of-distribution retrieval.
Authors: Deven Santosh Shah, Shiying He, Gosuddin Kamaruddin Siddiqi, Radhika Bansal
Abstract: Local news articles are a subset of news that impact users in a geographical area, such as a city, county, or state. Detecting local news (Step 1) and subsequently deciding its geographical location as well as radius of impact (Step 2) are two important steps towards accurate local news recommendation. Naive rule-based methods, such as detecting city names from the news title, tend to give erroneous results due to lack of understanding of the news content. Empowered by the latest development in natural language processing, we develop an integrated pipeline that enables automatic local news detection and content-based local news recommendations. In this paper, we focus on Step 1 of the pipeline, which highlights: (1) a weakly supervised framework incorporated with domain knowledge and auto data processing, and (2) scalability to multi-lingual settings. Compared with Stanford CoreNLP NER model, our pipeline has higher precision and recall evaluated on a real-world and human-labeled dataset. This pipeline has potential to more precise local news to users, helps local businesses get more exposure, and gives people more information about their neighborhood safety.
Authors: Lena Schmid, Moritz Roidl, Markus Pauly
Abstract: Many planning and decision activities in logistics and supply chain management are based on forecasts of multiple time dependent factors. Therefore, the quality of planning depends on the quality of the forecasts. We compare various forecasting methods in terms of out of the box forecasting performance on a broad set of simulated time series. We simulate various linear and non-linear time series and look at the one step forecast performance of statistical learning methods.
Authors: David Bruns-Smith, Oliver Dukes, Avi Feller, Elizabeth L. Ogburn
Abstract: We provide a novel characterization of augmented balancing weights, also known as automatic debiased machine learning (AutoDML). These popular doubly robust or de-biased machine learning estimators combine outcome modeling with balancing weights - weights that achieve covariate balance directly in lieu of estimating and inverting the propensity score. When the outcome and weighting models are both linear in some (possibly infinite) basis, we show that the augmented estimator is equivalent to a single linear model with coefficients that combine the coefficients from the original outcome model and coefficients from an unpenalized ordinary least squares (OLS) fit on the same data. We see that, under certain choices of regularization parameters, the augmented estimator often collapses to the OLS estimator alone; this occurs for example in a re-analysis of the Lalonde 1986 dataset. We then extend these results to specific choices of outcome and weighting models. We first show that the augmented estimator that uses (kernel) ridge regression for both outcome and weighting models is equivalent to a single, undersmoothed (kernel) ridge regression. This holds numerically in finite samples and lays the groundwork for a novel analysis of undersmoothing and asymptotic rates of convergence. When the weighting model is instead lasso-penalized regression, we give closed-form expressions for special cases and demonstrate a ``double selection'' property. Our framework opens the black box on this increasingly popular class of estimators, bridges the gap between existing results on the semiparametric efficiency of undersmoothed and doubly robust estimators, and provides new insights into the performance of augmented balancing weights.
Authors: Jiexing Gao, Yurii Zakharian
Abstract: In the paper, we describe in operator form classes of PDEs that admit PINN's error estimation. Also, for $L^p$ spaces, we obtain a Bramble-Hilbert type lemma that is a tool for PINN's residuals bounding.
Authors: Chi Han, Jialiang Xu, Manling Li, Yi Fung, Chenkai Sun, Nan Jiang, Tarek Abdelzaher, Heng Ji
Abstract: Language models (LMs) automatically learn word embeddings during pre-training on language corpora. Although word embeddings are usually interpreted as feature vectors for individual words, their roles in language model generation remain underexplored. In this work, we theoretically and empirically revisit output word embeddings and find that their linear transformations are equivalent to steering language model generation styles. We name such steers LM-Steers and find them existing in LMs of all sizes. It requires learning parameters equal to 0.2% of the original LMs' size for steering each style. On tasks such as language model detoxification and sentiment control, LM-Steers can achieve comparable or superior performance compared with state-of-the-art controlled generation methods while maintaining a better balance with generation quality. The learned LM-Steer serves as a lens in text styles: it reveals that word embeddings are interpretable when associated with language model generations and can highlight text spans that most indicate the style differences. An LM-Steer is transferrable between different language models by an explicit form calculation. One can also continuously steer LMs simply by scaling the LM-Steer or compose multiple LM-Steers by adding their transformations. Our codes are publicly available at \url{https://github.com/Glaciohound/LM-Steer}.
Authors: Ruohao Guo, Wei Xu, Alan Ritter
Abstract: Language style is often used by writers to convey their intentions, identities, and mastery of language. In this paper, we show that current large language models struggle to capture some language styles without fine-tuning. To address this challenge, we investigate whether LLMs can be meta-trained based on representative lexicons to recognize new styles they have not been fine-tuned on. Experiments on 13 established style classification tasks, as well as 63 novel tasks generated using LLMs, demonstrate that meta-training with style lexicons consistently improves zero-shot transfer across styles. We release the code and data at http://github.com/octaviaguo/Style-LLM .
Authors: Song Liu, Jiahao Yu, Jack Simons, Mingxuan Yi, Mark Beaumont
Abstract: Many machine learning problems can be seen as approximating a \textit{target} distribution using a \textit{particle} distribution by minimizing their statistical discrepancy. Wasserstein Gradient Flow can move particles along a path that minimizes the $f$-divergence between the target and particle distributions. To move particles, we need to calculate the corresponding velocity fields derived from a density ratio function between these two distributions. Previous works estimated such density ratio functions and then differentiated the estimated ratios. These approaches may suffer from overfitting, leading to a less accurate estimate of the velocity fields. Inspired by non-parametric curve fitting, we directly estimate these velocity fields using interpolation techniques. We prove that our estimators are consistent under mild conditions. We validate their effectiveness using novel applications on domain adaptation and missing data imputation.
Authors: Tiehua Zhang, Rui Xu, Jianping Zhang, Yuze Liu, Xin Chen, Jun Yin, Xi Zheng
Abstract: Vulnerability detection is a critical problem in software security and attracts growing attention both from academia and industry. Traditionally, software security is safeguarded by designated rule-based detectors that heavily rely on empirical expertise, requiring tremendous effort from software experts to generate rule repositories for large code corpus. Recent advances in deep learning, especially Graph Neural Networks (GNN), have uncovered the feasibility of automatic detection of a wide range of software vulnerabilities. However, prior learning-based works only break programs down into a sequence of word tokens for extracting contextual features of codes, or apply GNN largely on homogeneous graph representation (e.g., AST) without discerning complex types of underlying program entities (e.g., methods, variables). In this work, we are one of the first to explore heterogeneous graph representation in the form of Code Property Graph and adapt a well-known heterogeneous graph network with a dual-supervisor structure for the corresponding graph learning task. Using the prototype built, we have conducted extensive experiments on both synthetic datasets and real-world projects. Compared with the state-of-the-art baselines, the results demonstrate promising effectiveness in this research direction in terms of vulnerability detection performance (average F1 improvements over 10\% in real-world projects) and transferability from C/C++ to other programming languages (average F1 improvements over 11%).
Authors: Jia-Qi Yang, Chenglei Dai, Dan OU, Dongshuai Li, Ju Huang, De-Chuan Zhan, Xiaoyi Zeng, Yang Yang
Abstract: With the advancement of multimedia internet, the impact of visual characteristics on the decision of users to click or not within the online retail industry is increasingly significant. Thus, incorporating visual features is a promising direction for further performance improvements in click-through rate (CTR). However, experiments on our production system revealed that simply injecting the image embeddings trained with established pre-training methods only has marginal improvements. We believe that the main advantage of existing image feature pre-training methods lies in their effectiveness for cross-modal predictions. However, this differs significantly from the task of CTR prediction in recommendation systems. In recommendation systems, other modalities of information (such as text) can be directly used as features in downstream models. Even if the performance of cross-modal prediction tasks is excellent, it is challenging to provide significant information gain for the downstream models. We argue that a visual feature pre-training method tailored for recommendation is necessary for further improvements beyond existing modality features. To this end, we propose an effective user intention reconstruction module to mine visual features related to user interests from behavior histories, which constructs a many-to-one correspondence. We further propose a contrastive training method to learn the user intentions and prevent the collapse of embedding vectors. We conduct extensive experimental evaluations on public datasets and our production system to verify that our method can learn users' visual interests. Our method achieves $0.46\%$ improvement in offline AUC and $0.88\%$ improvement in Taobao GMV (Cross Merchandise Volume) with p-value$<$0.01.
Authors: Yinghua Gao, Yiming Li, Xueluan Gong, Zhifeng Li, Shu-Tao Xia, Qian Wang
Abstract: Deep neural networks (DNNs) are vulnerable to backdoor attacks, where the adversary manipulates a small portion of training data such that the victim model predicts normally on the benign samples but classifies the triggered samples as the target class. The backdoor attack is an emerging yet threatening training-phase threat, leading to serious risks in DNN-based applications. In this paper, we revisit the trigger patterns of existing backdoor attacks. We reveal that they are either visible or not sparse and therefore are not stealthy enough. More importantly, it is not feasible to simply combine existing methods to design an effective sparse and invisible backdoor attack. To address this problem, we formulate the trigger generation as a bi-level optimization problem with sparsity and invisibility constraints and propose an effective method to solve it. The proposed method is dubbed sparse and invisible backdoor attack (SIBA). We conduct extensive experiments on benchmark datasets under different settings, which verify the effectiveness of our attack and its resistance to existing backdoor defenses. The codes for reproducing main experiments are available at \url{https://github.com/YinghuaGao/SIBA}.
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: Kailas Vodrahalli, James Zou
Abstract: As generative AI becomes more prevalent, it is important to study how human users interact with such models. In this work, we investigate how people use text-to-image models to generate desired target images. To study this interaction, we created ArtWhisperer, an online game where users are given a target image and are tasked with iteratively finding a prompt that creates a similar-looking image as the target. Through this game, we recorded over 50,000 human-AI interactions; each interaction corresponds to one text prompt created by a user and the corresponding generated image. The majority of these are repeated interactions where a user iterates to find the best prompt for their target image, making this a unique sequential dataset for studying human-AI collaborations. In an initial analysis of this dataset, we identify several characteristics of prompt interactions and user strategies. People submit diverse prompts and are able to discover a variety of text descriptions that generate similar images. Interestingly, prompt diversity does not decrease as users find better prompts. We further propose a new metric to quantify the steerability of AI using our dataset. We define steerability as the expected number of interactions required to adequately complete a task. We estimate this value by fitting a Markov chain for each target task and calculating the expected time to reach an adequate score in the Markov chain. We quantify and compare AI steerability across different types of target images and two different models, finding that images of cities and natural world images are more steerable than artistic and fantasy images. These findings provide insights into human-AI interaction behavior, present a concrete method of assessing AI steerability, and demonstrate the general utility of the ArtWhisperer dataset.
Authors: Niklas Risse, Marcel B\"ohme
Abstract: Recent results of machine learning for automatic vulnerability detection (ML4VD) have been very promising. Given only the source code of a function $f$, ML4VD techniques can decide if $f$ contains a security flaw with up to 70% accuracy. However, as evident in our own experiments, the same top-performing models are unable to distinguish between functions that contain a vulnerability and functions where the vulnerability is patched. So, how can we explain this contradiction and how can we improve the way we evaluate ML4VD techniques to get a better picture of their actual capabilities? In this paper, we identify overfitting to unrelated features and out-of-distribution generalization as two problems, which are not captured by the traditional approach of evaluating ML4VD techniques. As a remedy, we propose a novel benchmarking methodology to help researchers better evaluate the true capabilities and limits of ML4VD techniques. Specifically, we propose (i) to augment the training and validation dataset according to our cross-validation algorithm, where a semantic preserving transformation is applied during the augmentation of either the training set or the testing set, and (ii) to augment the testing set with code snippets where the vulnerabilities are patched. Using six ML4VD techniques and two datasets, we find (a) that state-of-the-art models severely overfit to unrelated features for predicting the vulnerabilities in the testing data, (b) that the performance gained by data augmentation does not generalize beyond the specific augmentations applied during training, and (c) that state-of-the-art ML4VD techniques are unable to distinguish vulnerable functions from their patches.
Authors: Michael Przystupa, Faezeh Haghverd, Martin Jagersand, Samuele Tosatto
Abstract: Movement primitives are trainable parametric models that reproduce robotic movements starting from a limited set of demonstrations. Previous works proposed simple linear models that exhibited high sample efficiency and generalization power by allowing temporal modulation of movements (reproducing movements faster or slower), blending (merging two movements into one), via-point conditioning (constraining a movement to meet some particular via-points) and context conditioning (generation of movements based on an observed variable, e.g., position of an object). Previous works have proposed neural network-based motor primitive models, having demonstrated their capacity to perform tasks with some forms of input conditioning or time-modulation representations. However, there has not been a single unified deep motor primitive's model proposed that is capable of all previous operations, limiting neural motor primitive's potential applications. This paper proposes a deep movement primitive architecture that encodes all the operations above and uses a Bayesian context aggregator that allows a more sound context conditioning and blending. Our results demonstrate our approach can scale to reproduce complex motions on a larger variety of input choices compared to baselines while maintaining operations of linear movement primitives provide.
Authors: Elen Vardanyan, Sona Hunanyan, Tigran Galstyan, Arshak Minasyan, Arnak Dalalyan
Abstract: This paper explores the problem of generative modeling, aiming to simulate diverse examples from an unknown distribution based on observed examples. While recent studies have focused on quantifying the statistical precision of popular algorithms, there is a lack of mathematical evaluation regarding the non-replication of observed examples and the creativity of the generative model. We present theoretical insights into this aspect, demonstrating that the Wasserstein GAN, constrained to left-invertible push-forward maps, generates distributions that avoid replication and significantly deviate from the empirical distribution. Importantly, we show that left-invertibility achieves this without compromising the statistical optimality of the resulting generator. Our most important contribution provides a finite-sample lower bound on the Wasserstein-1 distance between the generative distribution and the empirical one. We also establish a finite-sample upper bound on the distance between the generative distribution and the true data-generating one. Both bounds are explicit and show the impact of key parameters such as sample size, dimensions of the ambient and latent spaces, noise level, and smoothness measured by the Lipschitz constant.
Authors: Yibo Hu, Erick Skorupa Parolin, Latifur Khan, Patrick T. Brandt, Javier Osorio, Vito J. D'Orazio
Abstract: Is it possible accurately classify political relations within evolving event ontologies without extensive annotations? This study investigates zero-shot learning methods that use expert knowledge from existing annotation codebook, and evaluates the performance of advanced ChatGPT (GPT-3.5/4) and a natural language inference (NLI)-based model called ZSP. ChatGPT uses codebook's labeled summaries as prompts, whereas ZSP breaks down the classification task into context, event mode, and class disambiguation to refine task-specific hypotheses. This decomposition enhances interpretability, efficiency, and adaptability to schema changes. The experiments reveal ChatGPT's strengths and limitations, and crucially show ZSP's outperformance of dictionary-based methods and its competitive edge over some supervised models. These findings affirm the value of ZSP for validating event records and advancing ontology development. Our study underscores the efficacy of leveraging transfer learning and existing domain expertise to enhance research efficiency and scalability.
Authors: Tom Savage, Nausheen Basha, Jonathan McDonough, James Krassowski, Omar K Matar, Ehecatl Antonio del Rio Chanona
Abstract: Additive manufacturing has enabled the fabrication of advanced reactor geometries, permitting larger, more complex design spaces. Identifying promising configurations within such spaces presents a significant challenge for current approaches. Furthermore, existing parameterisations of reactor geometries are low-dimensional with expensive optimisation limiting more complex solutions. To address this challenge, we establish a machine learning-assisted approach for the design of the next-generation of chemical reactors, combining the application of high-dimensional parameterisations, computational fluid dynamics, and multi-fidelity Bayesian optimisation. We associate the development of mixing-enhancing vortical flow structures in novel coiled reactors with performance, and use our approach to identify key characteristics of optimal designs. By appealing to the principles of flow dynamics, we rationalise the selection of novel design features that lead to experimental plug flow performance improvements of 60% over conventional designs. Our results demonstrate that coupling advanced manufacturing techniques with `augmented-intelligence' approaches can lead to superior design performance and, consequently, emissions-reduction and sustainability.
Authors: Zhichao Huang, Chutong Meng, Tom Ko
Abstract: With recent rapid growth of large language models (LLMs), discrete speech tokenization has played an important role for injecting speech into LLMs. However, this discretization gives rise to a loss of information, consequently impairing overall performance. To improve the performance of these discrete speech tokens, we present RepCodec, a novel speech representation codec for semantic speech tokenization. In contrast to audio codecs which reconstruct the raw audio, RepCodec learns a vector quantization codebook through reconstructing speech representations from speech encoders like HuBERT or data2vec. Together, the speech encoder, the codec encoder and the vector quantization codebook form a pipeline for converting speech waveforms into semantic tokens. The extensive experiments illustrate that RepCodec, by virtue of its enhanced information retention capacity, significantly outperforms the widely used k-means clustering approach in both speech understanding and generation. Furthermore, this superiority extends across various speech encoders and languages, affirming the robustness of RepCodec. We believe our method can facilitate large language modeling research on speech processing.
Authors: Pascal Peter
Abstract: Diffusion probabilistic models excel at sampling new images from learned distributions. Originally motivated by drift-diffusion concepts from physics, they apply image perturbations such as noise and blur in a forward process that results in a tractable probability distribution. A corresponding learned reverse process generates images and can be conditioned on side information, which leads to a wide variety of practical applications. Most of the research focus currently lies on practice-oriented extensions. In contrast, the theoretical background remains largely unexplored, in particular the relations to drift-diffusion. In order to shed light on these connections to classical image filtering, we propose a generalised scale-space theory for diffusion probabilistic models. Moreover, we show conceptual and empirical connections to diffusion and osmosis filters.
Authors: Yatong Bai, Trung Dang, Dung Tran, Kazuhito Koishida, Somayeh Sojoudi
Abstract: Diffusion models are instrumental in text-to-audio (TTA) generation. Unfortunately, they suffer from slow inference due to an excessive number of queries to the underlying denoising network per generation. To address this bottleneck, we introduce ConsistencyTTA, a framework requiring only a single non-autoregressive network query, thereby accelerating TTA by hundreds of times. We achieve so by proposing "CFG-aware latent consistency model," which adapts consistency generation into a latent space and incorporates classifier-free guidance (CFG) into model training. Moreover, unlike diffusion models, ConsistencyTTA can be finetuned closed-loop with audio-space text-aware metrics, such as CLAP score, to further enhance the generations. Our objective and subjective evaluation on the AudioCaps dataset shows that compared to diffusion-based counterparts, ConsistencyTTA reduces inference computation by 400x while retaining generation quality and diversity.
Authors: Andy Zhou, Kai Yan, Michal Shlapentokh-Rothman, Haohan Wang, Yu-Xiong Wang
Abstract: While language models (LMs) have shown potential across a range of decision-making tasks, their reliance on simple acting processes limits their broad deployment as autonomous agents. In this paper, we introduce Language Agent Tree Search (LATS) -- the first general framework that synergizes the capabilities of LMs in reasoning, acting, and planning. By leveraging the in-context learning ability of LMs, we integrate Monte Carlo Tree Search into LATS to enable LMs as agents, along with LM-powered value functions and self-reflections for proficient exploration and enhanced decision-making. A key feature of our approach is the incorporation of an environment for external feedback, which offers a more deliberate and adaptive problem-solving mechanism that surpasses the constraints of existing techniques. Our experimental evaluation across diverse domains, including programming, interactive question-answering (QA), web navigation, and math, validates the effectiveness and generality of LATS in decision-making while maintaining competitive or improved reasoning performance. Notably, LATS achieves state-of-the-art pass@1 accuracy (92.7%) for programming on HumanEval with GPT-4 and demonstrates gradient-free performance (average score of 75.9) comparable to gradient-based fine-tuning for web navigation on WebShop with GPT-3.5. Code can be found at https://github.com/lapisrocks/LanguageAgentTreeSearch
Authors: Yiyong Liu, Michael Backes, Xiao Zhang
Abstract: We consider availability data poisoning attacks, where an adversary aims to degrade the overall test accuracy of a machine learning model by crafting small perturbations to its training data. Existing poisoning strategies can achieve the attack goal but assume the victim to employ the same learning method as what the adversary uses to mount the attack. In this paper, we argue that this assumption is strong, since the victim may choose any learning algorithm to train the model as long as it can achieve some targeted performance on clean data. Empirically, we observe a large decrease in the effectiveness of prior poisoning attacks if the victim employs an alternative learning algorithm. To enhance the attack transferability, we propose Transferable Poisoning, which first leverages the intrinsic characteristics of alignment and uniformity to enable better unlearnability within contrastive learning, and then iteratively utilizes the gradient information from supervised and unsupervised contrastive learning paradigms to generate the poisoning perturbations. Through extensive experiments on image benchmarks, we show that our transferable poisoning attack can produce poisoned samples with significantly improved transferability, not only applicable to the two learners used to devise the attack but also to learning algorithms and even paradigms beyond.
Authors: Yusuke Sakai, Hidetaka Kamigaito, Katsuhiko Hayashi, Taro Watanabe
Abstract: Knowledge graphs (KGs) consist of links that describe relationships between entities. Due to the difficulty of manually enumerating all relationships between entities, automatically completing them is essential for KGs. Knowledge Graph Completion (KGC) is a task that infers unseen relationships between entities in a KG. Traditional embedding-based KGC methods, such as RESCAL, TransE, DistMult, ComplEx, RotatE, HAKE, HousE, etc., infer missing links using only the knowledge from training data. In contrast, the recent Pre-trained Language Model (PLM)-based KGC utilizes knowledge obtained during pre-training. Therefore, PLM-based KGC can estimate missing links between entities by reusing memorized knowledge from pre-training without inference. This approach is problematic because building KGC models aims to infer unseen links between entities. However, conventional evaluations in KGC do not consider inference and memorization abilities separately. Thus, a PLM-based KGC method, which achieves high performance in current KGC evaluations, may be ineffective in practical applications. To address this issue, we analyze whether PLM-based KGC methods make inferences or merely access memorized knowledge. For this purpose, we propose a method for constructing synthetic datasets specified in this analysis and conclude that PLMs acquire the inference abilities required for KGC through pre-training, even though the performance improvements mostly come from textual information of entities and relations.
Authors: Shabarish Chenakkod, Micha{\l} Derezi\'nski, Xiaoyu Dong, Mark Rudelson
Abstract: A random $m\times n$ matrix $S$ is an oblivious subspace embedding (OSE) with parameters $\epsilon>0$, $\delta\in(0,1/3)$ and $d\leq m\leq n$, if for any $d$-dimensional subspace $W\subseteq R^n$, $P\big(\,\forall_{x\in W}\ (1+\epsilon)^{-1}\|x\|\leq\|Sx\|\leq (1+\epsilon)\|x\|\,\big)\geq 1-\delta.$ It is known that the embedding dimension of an OSE must satisfy $m\geq d$, and for any $\theta > 0$, a Gaussian embedding matrix with $m\geq (1+\theta) d$ is an OSE with $\epsilon = O_\theta(1)$. However, such optimal embedding dimension is not known for other embeddings. Of particular interest are sparse OSEs, having $s\ll m$ non-zeros per column, with applications to problems such as least squares regression and low-rank approximation. We show that, given any $\theta > 0$, an $m\times n$ random matrix $S$ with $m\geq (1+\theta)d$ consisting of randomly sparsified $\pm1/\sqrt s$ entries and having $s= O(\log^4(d))$ non-zeros per column, is an oblivious subspace embedding with $\epsilon = O_{\theta}(1)$. Our result addresses the main open question posed by Nelson and Nguyen (FOCS 2013), who conjectured that sparse OSEs can achieve $m=O(d)$ embedding dimension, and it improves on $m=O(d\log(d))$ shown by Cohen (SODA 2016). We use this to construct the first oblivious subspace embedding with $O(d)$ embedding dimension that can be applied faster than current matrix multiplication time, and to obtain an optimal single-pass algorithm for least squares regression. We further extend our results to Leverage Score Sparsification (LESS), which is a recently introduced non-oblivious embedding technique. We use LESS to construct the first subspace embedding with low distortion $\epsilon=o(1)$ and optimal embedding dimension $m=O(d/\epsilon^2)$ that can be applied in current matrix multiplication time.
Authors: Zhenyu Tao, Wei Xu, Yongming Huang, Xiaoyun Wang, Xiaohu You
Abstract: Digital twin, which enables emulation, evaluation, and optimization of physical entities through synchronized digital replicas, has gained increasing attention as a promising technology for intricate wireless networks. For 6G, numerous innovative wireless technologies and network architectures have posed new challenges in establishing wireless network digital twins. To tackle these challenges, artificial intelligence (AI), particularly the flourishing generative AI, emerges as a potential solution. In this article, we discuss emerging prerequisites for wireless network digital twins considering the complicated network architecture, tremendous network scale, extensive coverage, and diversified application scenarios in the 6G era. We further explore the applications of generative AI, such as Transformer and diffusion model, to empower the 6G digital twin from multiple perspectives including physical-digital modeling, synchronization, and slicing capability. Subsequently, we propose a hierarchical generative AI-enabled wireless network digital twin at both the message-level and policy-level, and provide a typical use case with numerical results to validate the effectiveness and efficiency. Finally, open research issues for wireless network digital twins in the 6G era are discussed.
Authors: Yukiya Hono, Koh Mitsuda, Tianyu Zhao, Kentaro Mitsui, Toshiaki Wakatsuki, Kei Sawada
Abstract: Advances in machine learning have made it possible to perform various text and speech processing tasks, such as automatic speech recognition (ASR), in an end-to-end (E2E) manner. E2E approaches utilizing pre-trained models are gaining attention for conserving training data and resources. However, most of their applications in ASR involve only one of either a pre-trained speech or a language model. This paper proposes integrating a pre-trained speech representation model and a large language model (LLM) for E2E ASR. The proposed model enables the optimization of the entire ASR process, including acoustic feature extraction and acoustic and language modeling, by combining pre-trained models with a bridge network and also enables the application of remarkable developments in LLM utilization, such as parameter-efficient domain adaptation and inference optimization. Experimental results demonstrate that the proposed model achieves a performance comparable to that of modern E2E ASR models by utilizing powerful pre-training models with the proposed integrated approach.
Authors: Ali Ghadami, Mohammadreza Taghimohammadi, Mohammad Mohammadzadeh, Mohammad Hosseinipour, Alireza Taheri
Abstract: Robots' acceptability among humans and their sociability can be significantly enhanced by incorporating human-like reactions. Humans can react to environmental events very quickly and without thinking. An instance where humans show natural reactions is when they encounter a sudden and loud sound that startles or frightens them. During such moments, individuals may instinctively move their hands, turn toward the origin of the sound, and try to determine the event's cause. This inherent behavior motivated us to explore this less-studied part of social robotics. In this work, a multi-modal system composed of an action generator, sound classifier, and YOLO object detector was designed to sense the environment and, in the presence of sudden loud sounds, show natural human fear reactions; and finally, locate the fear-causing sound source in the environment. These valid generated motions and inferences could imitate intrinsic human reactions and enhance the sociability of robots. For motion generation, a model based on LSTM and MDN networks was proposed to synthesize various motions. Also, in the case of sound detection, a transfer learning model was preferred that used the spectrogram of the sound signals as its input. After developing individual models for sound detection, motion generation, and image recognition, they were integrated into a comprehensive "fear" module implemented on the NAO robot. Finally, the fear module was tested in practical application and two groups of experts and non-experts (in the robotics area) filled out a questionnaire to evaluate the performance of the robot. We indicated that the proposed module could convince the participants that the Nao robot acts and reasons like a human when a sudden and loud sound is in the robot's peripheral environment, and additionally showed that non-experts have higher expectations about social robots and their performance.
Authors: Navreet Kaur, Monojit Choudhury, Danish Pruthi
Abstract: As corporations rush to integrate large language models (LLMs) to their search offerings, it is critical that they provide factually accurate information that is robust to any presuppositions that a user may express. In this work, we introduce UPHILL, a dataset consisting of health-related queries with varying degrees of presuppositions. Using UPHILL, we evaluate the factual accuracy and consistency of InstructGPT, ChatGPT, and BingChat models. We find that while model responses rarely disagree with true health claims (posed as questions), they often fail to challenge false claims: responses from InstructGPT agree with 32% of the false claims, ChatGPT 26% and BingChat 23%. As we increase the extent of presupposition in input queries, the responses from InstructGPT and ChatGPT agree with the claim considerably more often, regardless of its veracity. Responses from BingChat, which rely on retrieved webpages, are not as susceptible. Given the moderate factual accuracy, and the inability of models to consistently correct false assumptions, our work calls for a careful assessment of current LLMs for use in high-stakes scenarios.
Authors: Xu Yang, Yingzhe Peng, Haoxuan Ma, Shuo Xu, Chi Zhang, Yucheng Han, Hanwang Zhang
Abstract: As Archimedes famously said, ``Give me a lever long enough and a fulcrum on which to place it, and I shall move the world'', in this study, we propose to use a tiny Language Model (LM), \eg, a Transformer with 67M parameters, to lever much larger Vision-Language Models (LVLMs) with 9B parameters. Specifically, we use this tiny \textbf{Lever-LM} to configure effective in-context demonstration (ICD) sequences to improve the In-Context Learinng (ICL) performance of LVLMs. Previous studies show that diverse ICD configurations like the selection and ordering of the demonstrations heavily affect the ICL performance, highlighting the significance of configuring effective ICD sequences. Motivated by this and by re-considering the the process of configuring ICD sequence, we find this is a mirror process of human sentence composition and further assume that effective ICD configurations may contain internal statistical patterns that can be captured by Lever-LM. Then a dataset with effective ICD sequences is constructed to train Lever-LM. After training, given novel queries, new ICD sequences are configured by the trained Lever-LM to solve vision-language tasks through ICL. Experiments show that these ICD sequences can improve the ICL performance of two LVLMs compared with some strong baselines in Visual Question Answering and Image Captioning, validating that Lever-LM can really capture the statistical patterns for levering LVLMs.
Authors: Qianrui Zhou, Hua Xu, Hao Li, Hanlei Zhang, Xiaohan Zhang, Yifan Wang, Kai Gao
Abstract: Multimodal intent recognition aims to leverage diverse modalities such as expressions, body movements and tone of speech to comprehend user's intent, constituting a critical task for understanding human language and behavior in real-world multimodal scenarios. Nevertheless, the majority of existing methods ignore potential correlations among different modalities and own limitations in effectively learning semantic features from nonverbal modalities. In this paper, we introduce a token-level contrastive learning method with modality-aware prompting (TCL-MAP) to address the above challenges. To establish an optimal multimodal semantic environment for text modality, we develop a modality-aware prompting module (MAP), which effectively aligns and fuses features from text, video and audio modalities with similarity-based modality alignment and cross-modality attention mechanism. Based on the modality-aware prompt and ground truth labels, the proposed token-level contrastive learning framework (TCL) constructs augmented samples and employs NT-Xent loss on the label token. Specifically, TCL capitalizes on the optimal textual semantic insights derived from intent labels to guide the learning processes of other modalities in return. Extensive experiments show that our method achieves remarkable improvements compared to state-of-the-art methods. Additionally, ablation analyses demonstrate the superiority of the modality-aware prompt over the handcrafted prompt, which holds substantial significance for multimodal prompt learning. The codes are released at https://github.com/thuiar/TCL-MAP.
Authors: Eszter Sz\'ekely, Lorenzo Bardone, Federica Gerace, Sebastian Goldt
Abstract: Neural networks excel at discovering statistical patterns in high-dimensional data sets. In practice, higher-order cumulants, which quantify the non-Gaussian correlations between three or more variables, are particularly important for the performance of neural networks. But how efficient are neural networks at extracting features from higher-order cumulants? We study this question in the spiked cumulant model, where the statistician needs to recover a privileged direction or "spike" from the order-$p\ge 4$ cumulants of $d$-dimensional inputs. Existing literature established the presence of a wide statistical-to-computational gap in this problem. We deepen this line of work by finding an exact formula for the likelihood ratio norm which proves that statistical distinguishability requires $n\gtrsim d$ samples, while distinguishing the two distributions in polynomial time requires $n \gtrsim d^2$ samples for a wide class of algorithms, i.e. those covered by the low-degree conjecture. Numerical experiments show that neural networks do indeed learn to distinguish the two distributions with quadratic sample complexity, while "lazy" methods like random features are not better than random guessing in this regime. Our results show that neural networks extract information from higher-ordercorrelations in the spiked cumulant model efficiently, and reveal a large gap in the amount of data required by neural networks and random features to learn from higher-order cumulants.
Authors: Giorgos Vernikos, Andrei Popescu-Belis
Abstract: Neural machine translation systems estimate probabilities of target sentences given source sentences, yet these estimates may not align with human preferences. This work introduces QE-fusion, a method that synthesizes translations using a quality estimation metric (QE), which correlates better with human judgments. QE-fusion leverages a pool of candidates sampled from a model, combining spans from different candidates using a QE metric such as CometKiwi. We compare QE-fusion against beam search and recent reranking techniques, such as Minimum Bayes Risk decoding or QE-reranking. Our method consistently improves translation quality in terms of COMET and BLEURT scores when applied to large language models (LLMs) used for translation (PolyLM, XGLM, Llama2, Mistral, ALMA, and Tower) and to multilingual translation models (NLLB), over five language pairs. Notably, QE-fusion exhibits larger improvements for LLMs due to their ability to generate diverse outputs. We demonstrate that our approach generates novel translations in over half of the cases and consistently outperforms other methods across varying numbers of candidates (5-200). Furthermore, we empirically establish that QE-fusion scales linearly with the number of candidates in the pool.
Authors: Alexander Heinlein, Amanda A. Howard, Damien Beecroft, Panos Stinis
Abstract: Multiscale problems are challenging for neural network-based discretizations of differential equations, such as physics-informed neural networks (PINNs). This can be (partly) attributed to the so-called spectral bias of neural networks. To improve the performance of PINNs for time-dependent problems, a combination of multifidelity stacking PINNs and domain decomposition-based finite basis PINNs is employed. In particular, to learn the high-fidelity part of the multifidelity model, a domain decomposition in time is employed. The performance is investigated for a pendulum and a two-frequency problem as well as the Allen-Cahn equation. It can be observed that the domain decomposition approach clearly improves the PINN and stacking PINN approaches. Finally, it is demonstrated that the FBPINN approach can be extended to multifidelity physics-informed deep operator networks.
Authors: Elias Stengel-Eskin, Archiki Prasad, Mohit Bansal
Abstract: While large language models (LLMs) are increasingly being used for program synthesis, they lack the global view needed to develop useful abstractions; they generally predict programs one at a time, often repeating the same functionality. Generating redundant code from scratch is both inefficient and error-prone. To address this, we propose Refactoring for Generalizable Abstraction Learning (ReGAL), a gradient-free method for learning a library of reusable functions via code refactorization, i.e., restructuring code without changing its execution output. ReGAL learns from a small set of existing programs, iteratively verifying and refining its abstractions via execution. We find that the shared function libraries discovered by ReGAL make programs easier to predict across diverse domains. On five datasets -- LOGO graphics generation, Date reasoning, TextCraft (a Minecraft-based text-game) MATH, and TabMWP -- both open-source and proprietary LLMs improve in accuracy when predicting programs with ReGAL functions. For CodeLlama-13B, ReGAL results in absolute accuracy increases of 11.5% on LOGO, 26.1% on date understanding, and 8.1% on TextCraft, outperforming GPT-3.5 in two of three domains. Our analysis reveals ReGAL's abstractions encapsulate frequently-used subroutines as well as environment dynamics.
Authors: Lennard Bodden, Franziska Schwaiger, Duc Bach Ha, Lars Kreuzberg, Sven Behnke
Abstract: In the era of AI at the edge, self-driving cars, and climate change, the need for energy-efficient, small, embedded AI is growing. Spiking Neural Networks (SNNs) are a promising approach to address this challenge, with their event-driven information flow and sparse activations. We propose Spiking CenterNet for object detection on event data. It combines an SNN CenterNet adaptation with an efficient M2U-Net-based decoder. Our model significantly outperforms comparable previous work on Prophesee's challenging GEN1 Automotive Detection Dataset while using less than half the energy. Distilling the knowledge of a non-spiking teacher into our SNN further increases performance. To the best of our knowledge, our work is the first approach that takes advantage of knowledge distillation in the field of spiking object detection.
Authors: Haoyi Zhu, Yating Wang, Di Huang, Weicai Ye, Wanli Ouyang, Tong He
Abstract: In robot learning, the observation space is crucial due to the distinct characteristics of different modalities, which can potentially become a bottleneck alongside policy design. In this study, we explore the influence of various observation spaces on robot learning, focusing on three predominant modalities: RGB, RGB-D, and point cloud. We introduce OBSBench, a benchmark comprising two simulators and 125 tasks, along with standardized pipelines for various encoders and policy baselines. Extensive experiments on diverse contact-rich manipulation tasks reveal a notable trend: point cloud-based methods, even those with the simplest designs, frequently outperform their RGB and RGB-D counterparts. This trend persists in both scenarios: training from scratch and utilizing pre-training. Furthermore, our findings demonstrate that point cloud observations often yield better policy performance and significantly stronger generalization capabilities across various geometric and visual conditions. These outcomes suggest that the 3D point cloud is a valuable observation modality for intricate robotic tasks. We also suggest that incorporating both appearance and coordinate information can enhance the performance of point cloud methods. We hope our work provides valuable insights and guidance for designing more generalizable and robust robotic models. Codes are available at https://github.com/HaoyiZhu/PointCloudMatters.
Authors: Hugo Lebeau, Florent Chatelain, Romain Couillet
Abstract: This work presents a comprehensive understanding of the estimation of a planted low-rank signal from a general spiked tensor model near the computational threshold. Relying on standard tools from the theory of large random matrices, we characterize the large-dimensional spectral behavior of the unfoldings of the data tensor and exhibit relevant signal-to-noise ratios governing the detectability of the principal directions of the signal. These results allow to accurately predict the reconstruction performance of truncated multilinear SVD (MLSVD) in the non-trivial regime. This is particularly important since it serves as an initialization of the higher-order orthogonal iteration (HOOI) scheme, whose convergence to the best low-multilinear-rank approximation depends entirely on its initialization. We give a sufficient condition for the convergence of HOOI and show that the number of iterations before convergence tends to $1$ in the large-dimensional limit.
Authors: Andrew Campbell, Jason Yim, Regina Barzilay, Tom Rainforth, Tommi Jaakkola
Abstract: Combining discrete and continuous data is an important capability for generative models. We present Discrete Flow Models (DFMs), a new flow-based model of discrete data that provides the missing link in enabling flow-based generative models to be applied to multimodal continuous and discrete data problems. Our key insight is that the discrete equivalent of continuous space flow matching can be realized using Continuous Time Markov Chains. DFMs benefit from a simple derivation that includes discrete diffusion models as a specific instance while allowing improved performance over existing diffusion-based approaches. We utilize our DFMs method to build a multimodal flow-based modeling framework. We apply this capability to the task of protein co-design, wherein we learn a model for jointly generating protein structure and sequence. Our approach achieves state-of-the-art co-design performance while allowing the same multimodal model to be used for flexible generation of the sequence or structure.
Authors: Pragya Srivastava, Satvik Golechha, Amit Deshpande, Amit Sharma
Abstract: Recent work shows that in-context learning and optimization of in-context examples (ICE) can significantly improve the accuracy of large language models (LLMs) on a wide range of tasks, leading to an apparent consensus that ICE optimization is crucial for better performance. However, most of these studies assume a fixed or no instruction provided in the prompt. We challenge this consensus by investigating the necessity of optimizing ICE when task-specific instructions are provided and find that there are many tasks for which it yields diminishing returns. In particular, using a diverse set of tasks and a systematically created instruction set with gradually added details, we find that as the prompt instruction becomes more detailed, the returns on ICE optimization diminish. To characterize this behavior, we introduce a task-specific metric called Normalized Invariability to Choice of Examples (NICE) that quantifies the learnability of tasks from a given instruction, and provides a heuristic to help decide whether to optimize instructions or ICE for a new task. Given a task, the proposed metric can reliably predict the utility of optimizing ICE compared to using random ICE. Our code is available at https://github.com/microsoft/nice-icl.
Authors: Shir Ashury-Tahan, Ariel Gera, Benjamin Sznajder, Leshem Choshen, Liat Ein-Dor, Eyal Shnarch
Abstract: Model selection for a given target task can be costly, as it may entail extensive annotation of the quality of outputs of different models. We introduce DiffUse, an efficient method to make an informed decision between candidate text generation models based on preference annotations. DiffUse reduces the required amount of annotations, thus saving valuable time and resources in performing evaluation. DiffUse intelligently selects instances by clustering embeddings that represent the semantic differences between model outputs. Thus, it is able to identify a subset of examples that are more informative for preference decisions. Our method is model-agnostic, and can be applied to any text generation model for selecting between models, prompts and configurations. Moreover, we propose a practical iterative approach for dynamically determining how many instances to annotate. In a series of experiments over hundreds of model pairs, we demonstrate that DiffUse can dramatically reduce the required number of annotations -- by up to 75% -- while maintaining high evaluation reliability.
Authors: Afra Amini, Tim Vieira, Ryan Cotterell
Abstract: Direct preference optimization (DPO) is a successful fine-tuning strategy for aligning large language models with human preferences without the need to train a reward model or employ reinforcement learning. DPO, as originally formulated, relies on binary preference data and fine-tunes a language model to increase the likelihood of a preferred response over a dispreferred response. However, not all preference pairs are equal. Sometimes, the preferred response is only slightly better than the dispreferred one. In other cases, the preference is much stronger. For instance, if a response contains harmful or toxic content, the annotator will have a strong preference for that response. In this paper, we propose a generalization of DPO, termed DPO with an offset (ODPO), that does not treat every preference pair equally during fine-tuning. Intuitively, ODPO requires the difference between the likelihood of the preferred and dispreferred response to be greater than an offset value. The offset is determined based on the extent to which one response is preferred over another. Our experiments on various tasks suggest that ODPO significantly outperforms DPO in aligning language models, especially when the number of preference pairs is limited.
Authors: Nikita Kotelevskii, Maxim Panov
Abstract: Uncertainty quantification in predictive modeling often relies on ad hoc methods as there is no universally accepted formal framework for that. This paper introduces a theoretical approach to understanding uncertainty through statistical risks, distinguishing between aleatoric (data-related) and epistemic (model-related) uncertainties. We explain how to split pointwise risk into Bayes risk and excess risk. In particular, we show that excess risk, related to epistemic uncertainty, aligns with Bregman divergences. To turn considered risk measures into actual uncertainty estimates, we suggest using the Bayesian approach by approximating the risks with the help of posterior distributions. We tested our method on image datasets, evaluating its performance in detecting out-of-distribution and misclassified data using the AUROC metric. Our results confirm the effectiveness of the considered approach and offer practical guidance for estimating uncertainty in real-world applications.
Authors: Ziru Chen, Michael White, Raymond Mooney, Ali Payani, Yu Su, Huan Sun
Abstract: In this paper, we examine how large language models (LLMs) solve multi-step problems under a language agent framework with three components: a generator, a discriminator, and a planning method. We investigate the practical utility of two advanced planning methods, iterative correction and tree search. We present a comprehensive analysis of how discrimination accuracy affects the overall performance of agents when using these two methods or a simpler method, re-ranking. Experiments on two tasks, text-to-SQL parsing and mathematical reasoning, show that: (1) advanced planning methods demand discriminators with at least 90% accuracy to achieve significant improvements over re-ranking; (2) current LLMs' discrimination abilities have not met the needs of advanced planning methods to achieve such improvements; (3) with LLM-based discriminators, advanced planning methods may not adequately balance accuracy and efficiency. For example, compared to the other two methods, tree search is at least 10--20 times slower but leads to negligible performance gains, which hinders its real-world applications. Code and data are available at https://github.com/OSU-NLP-Group/llm-planning-eval.
Authors: Tianyi Lorena Yan, Fei Wang, James Y. Huang, Wenxuan Zhou, Fan Yin, Aram Galstyan, Wenpeng Yin, Muhao Chen
Abstract: Instruction tuning has been used as a promising approach to improve the performance of large language models (LLMs) on unseen tasks. However, current LLMs exhibit limited robustness to unseen instructions, generating inconsistent outputs when the same instruction is phrased with slightly varied forms or language styles. This behavior indicates LLMs' lack of robustness to textual variations and generalizability to unseen instructions, potentially leading to trustworthiness issues. Accordingly, we propose Contrastive Instruction Tuning, which maximizes the similarity between the hidden representations of semantically equivalent instruction-instance pairs while minimizing the similarity between semantically different ones. To facilitate this approach, we augment the existing FLAN collection by paraphrasing task instructions. Experiments on the PromptBench benchmark show that CoIN consistently improves LLMs' robustness to unseen instructions with variations across character, word, sentence, and semantic levels by an average of +2.5% in accuracy. Code is available at https://github.com/luka-group/CoIN.
Authors: Ikuya Yamada, Ryokan Ri
Abstract: Adapting English-based large language models (LLMs) to other languages has become increasingly popular due to the efficiency and potential of cross-lingual transfer. However, existing language adaptation methods often overlook the benefits of cross-lingual supervision. In this study, we introduce LEIA, a language adaptation tuning method that utilizes Wikipedia entity names aligned across languages. This method involves augmenting the target language corpus with English entity names and training the model using left-to-right language modeling. We assess LEIA on diverse question answering datasets using 7B-parameter LLMs, demonstrating significant performance gains across various non-English languages. The source code is available at https://github.com/studio-ousia/leia.
Authors: Benjamin Scellier
Abstract: Analog electrical networks have long been investigated as energy-efficient computing platforms for machine learning, leveraging analog physics during inference. More recently, resistor networks have sparked particular interest due to their ability to learn using local rules (such as equilibrium propagation), enabling potentially important energy efficiency gains for training as well. Despite their potential advantage, the simulations of these resistor networks has been a significant bottleneck to assess their scalability, with current methods either being limited to linear networks or relying on realistic, yet slow circuit simulators like SPICE. Assuming ideal circuit elements, we introduce a novel approach for the simulation of nonlinear resistive networks, which we frame as a quadratic programming problem with linear inequality constraints, and which we solve using a fast, exact coordinate descent algorithm. Our simulation methodology significantly outperforms existing SPICE-based simulations, enabling the training of networks up to 327 times larger at speeds 160 times faster, resulting in a 50,000-fold improvement in the ratio of network size to epoch duration. Our approach can foster more rapid progress in the simulations of nonlinear analog electrical networks.
Authors: Zhanhui Zhou, Jie Liu, Zhichen Dong, Jiaheng Liu, Chao Yang, Wanli Ouyang, Yu Qiao
Abstract: Large language models (LLMs) undergo safety alignment to ensure safe conversations with humans. However, this paper introduces a training-free attack method capable of reversing safety alignment, converting the outcomes of stronger alignment into greater potential for harm by accessing only LLM output token distributions. Specifically, our method achieves this reversal by contrasting the output token distribution of a safety-aligned language model (e.g., Llama-2-chat) against its pre-trained version (e.g., Llama-2), so that the token predictions are shifted towards the opposite direction of safety alignment. We name this method emulated disalignment (ED) because sampling from this contrastive distribution provably emulates the result of fine-tuning to minimize a safety reward. Our experiments with ED across three evaluation datasets and four model families (Llama-1, Llama-2, Mistral, and Alpaca) show that ED doubles the harmfulness of pre-trained models and outperforms strong baselines, achieving the highest harmful rates in 43 out of 48 evaluation subsets by a large margin. Eventually, given ED's reliance on language model output token distributions, which particularly compromises open-source models, our findings highlight the need to reassess the open accessibility of language models, even if they have been safety-aligned. Code is available at https://github.com/ZHZisZZ/emulated-disalignment.
Authors: Han Wang, Archiki Prasad, Elias Stengel-Eskin, Mohit Bansal
Abstract: Generations from large language models (LLMs) can be improved by sampling and scoring multiple solutions to select a final answer. Current "sample and select" methods such as self-consistency (SC) rely on majority voting to score answers. However, when tasks have many distinct and valid answers, selection by voting requires a large number of samples. This makes SC prohibitively expensive for interactive tasks that involve generating multiple actions (answers) sequentially. After establishing that majority voting fails to provide consistent gains on such tasks, we demonstrate how to increase success rates by softening the scoring criterion. We introduce Soft Self-Consistency (SOFT-SC), which replaces SC's discontinuous scoring with a continuous score computed from model likelihoods, allowing for selection even when actions are sparsely distributed. SOFT-SC improves both performance and efficiency on long-horizon interactive tasks, requiring half as many samples as SC for comparable or better performance. For a fixed number of samples, SOFT-SC leads to a 1.3% increase over SC in absolute success rate on writing bash programs, a 6.6% increase on online shopping (WebShop), and a 4.7% increase for an interactive household game (ALFWorld). Finally, we show that SOFT-SC can be applied to both open-source and black-box models.
Authors: Zhisheng Lin, Han Fu, Chenghao Liu, Zhuo Li, Jianling Sun
Abstract: Parameter-efficient fine-tuning (PEFT) has emerged as an effective method for adapting pre-trained language models to various tasks efficiently. Recently, there has been a growing interest in transferring knowledge from one or multiple tasks to the downstream target task to achieve performance improvements. However, current approaches typically either train adapters on individual tasks or distill shared knowledge from source tasks, failing to fully exploit task-specific knowledge and the correlation between source and target tasks. To overcome these limitations, we propose PEMT, a novel parameter-efficient fine-tuning framework based on multi-task transfer learning. PEMT extends the mixture-of-experts (MoE) framework to capture the transferable knowledge as a weighted combination of adapters trained on source tasks. These weights are determined by a gated unit, measuring the correlation between the target and each source task using task description prompt vectors. To fully exploit the task-specific knowledge, we also propose the Task Sparsity Loss to improve the sparsity of the gated unit. We conduct experiments on a broad range of tasks over 17 datasets. The experimental results demonstrate our PEMT yields stable improvements over full fine-tuning, and state-of-the-art PEFT and knowledge transferring methods on various tasks. The results highlight the effectiveness of our method which is capable of sufficiently exploiting the knowledge and correlation features across multiple tasks.
Authors: Nihal V. Nayak, Yiyang Nan, Avi Trost, Stephen H. Bach
Abstract: We introduce Bonito, an open-source model for conditional task generation that converts unannotated text into task-specific training datasets for instruction tuning. We aim to enable zero-shot task adaptation of large language models on users' specialized, private data. We train Bonito by fine-tuning a pretrained large language model on a new large-scale dataset with 1.65M examples created by remixing existing instruction tuning datasets into meta-templates. The meta-templates for a dataset produce training examples where the input is the unannotated text and the task attribute and the output consists of the instruction and the response. We use Bonito to generate synthetic tasks for seven datasets from specialized domains with unannotated text across three task types -- yes-no question answering, extractive question answering, and natural language inference -- and adapt language models. We show that Bonito significantly improves the average performance of pretrained and instruction tuned models over the de facto self supervised baseline. For example, adapting Mistral-Instruct-v2 and instruction tuned variants of Mistral and Llama2 with Bonito improves the strong zero-shot performance by 22.1 F1 points whereas the next word prediction objective undoes some of the benefits of instruction tuning and reduces the average performance by 0.8 F1 points. We conduct additional experiments with Bonito to understand the effects of the domain, the size of the training set, and the choice of alternative synthetic task generators. Overall, we show that learning with synthetic instruction tuning datasets is an effective way to adapt language models to new domains. The model, dataset, and code are available at https://github.com/BatsResearch/bonito.
Authors: Saeed Najafi, Alona Fyshe
Abstract: Pre-trained Language Models (PLMs) can be accurately fine-tuned for downstream text processing tasks. Recently, researchers have introduced several parameter-efficient fine-tuning methods that optimize input prompts or adjust a small number of model parameters (e.g LoRA). In this study, we explore the impact of altering the input text of the original task in conjunction with parameter-efficient fine-tuning methods. To most effectively rewrite the input text, we train a few-shot paraphrase model with a Maximum-Marginal Likelihood objective. Using six few-shot text classification datasets, we show that enriching data with paraphrases at train and test time enhances the performance beyond what can be achieved with parameter-efficient fine-tuning alone. The code used for our experiments can be found at https://github.com/SaeedNajafi/RIFF.
Authors: Yair Schiff, Chia-Hsiang Kao, Aaron Gokaslan, Tri Dao, Albert Gu, Volodymyr Kuleshov
Abstract: Large-scale sequence modeling has sparked rapid advances that now extend into biology and genomics. However, modeling genomic sequences introduces challenges such as the need to model long-range token interactions, the effects of upstream and downstream regions of the genome, and the reverse complementarity (RC) of DNA. Here, we propose an architecture motivated by these challenges that builds off the long-range Mamba block, and extends it to a BiMamba component that supports bi-directionality, and to a MambaDNA block that additionally supports RC equivariance. We use MambaDNA as the basis of Caduceus, the first family of RC equivariant bi-directional long-range DNA language models, and we introduce pre-training and fine-tuning strategies that yield Caduceus DNA foundation models. Caduceus outperforms previous long-range models on downstream benchmarks; on a challenging long-range variant effect prediction task, Caduceus exceeds the performance of 10x larger models that do not leverage bi-directionality or equivariance.
Authors: Naman Jain, King Han, Alex Gu, Wen-Ding Li, Fanjia Yan, Tianjun Zhang, Sida Wang, Armando Solar-Lezama, Koushik Sen, Ion Stoica
Abstract: Large Language Models (LLMs) applied to code-related applications have emerged as a prominent field, attracting significant interest from both academia and industry. However, as new and improved LLMs are developed, existing evaluation benchmarks (e.g., HumanEval, MBPP) are no longer sufficient for assessing their capabilities. In this work, we propose LiveCodeBench, a comprehensive and contamination-free evaluation of LLMs for code, which continuously collects new problems over time from contests across three competition platforms, namely LeetCode, AtCoder, and CodeForces. Notably, our benchmark also focuses on a broader range of code related capabilities, such as self-repair, code execution, and test output prediction, beyond just code generation. Currently, LiveCodeBench hosts four hundred high-quality coding problems that were published between May 2023 and May 2024. We have evaluated 18 base LLMs and 34 instruction-tuned LLMs on LiveCodeBench. We present empirical findings on contamination, holistic performance comparisons, potential overfitting in existing benchmarks as well as individual model comparisons. We will release all prompts and model completions for further community analysis, along with a general toolkit for adding new scenarios and model
Authors: Ao Sun, Weilin Zhao, Xu Han, Cheng Yang, Zhiyuan Liu, Chuan Shi, Maosong Sun
Abstract: Effective attention modules have played a crucial role in the success of Transformer-based large language models (LLMs), but the quadratic time and memory complexities of these attention modules also pose a challenge when processing long sequences. One potential solution for the long sequence problem is to utilize distributed clusters to parallelize the computation of attention modules across multiple devices (e.g., GPUs). However, adopting a distributed approach inevitably introduces extra memory overheads to store local attention results and incurs additional communication costs to aggregate local results into global ones. In this paper, we propose a distributed attention framework named ``BurstAttention'' to optimize memory access and communication operations at both the global cluster and local device levels. In our experiments, we compare BurstAttention with other competitive distributed attention solutions for long sequence processing. The experimental results under different length settings demonstrate that BurstAttention offers significant advantages for processing long sequences compared with these competitive baselines, reducing 40% communication overheads and achieving 1.37 X speedup during training 128K sequence length on 32 X A100.
Authors: Fangqiang Ding, Yunzhou Zhu, Xiangyu Wen, Gaowen Liu, Chris Xiaoxuan Lu
Abstract: In this work, we present ThermoHands, a new benchmark for thermal image-based egocentric 3D hand pose estimation, aimed at overcoming challenges like varying lighting conditions and obstructions (e.g., handwear). The benchmark includes a multi-view and multi-spectral dataset collected from 28 subjects performing hand-object and hand-virtual interactions under diverse scenarios, accurately annotated with 3D hand poses through an automated process. We introduce a new baseline method, TherFormer, utilizing dual transformer modules for effective egocentric 3D hand pose estimation in thermal imagery. Our experimental results highlight TherFormer's leading performance and affirm thermal imaging's effectiveness in enabling robust 3D hand pose estimation in adverse conditions.
Authors: Jakub Hoscilowicz, Adam Wiacek, Jan Chojnacki, Adam Cieslak, Leszek Michon, Vitalii Urbanevych, Artur Janicki
Abstract: In this work, we explore LLM's internal representation space to identify attention heads that contain the most truthful and accurate information. We further developed the Inference Time Intervention (ITI) framework, which lets bias LLM without the need for fine-tuning. The improvement manifests in introducing a non-linear multi-token probing and multi-token intervention: Non-Linear ITI (NL-ITI), which significantly enhances performance on evaluation benchmarks. NL-ITI is tested on diverse multiple-choice datasets, including TruthfulQA, on which we report over 16% relative MC1 (accuracy of model pointing to the correct answer) improvement with respect to the baseline ITI results. Moreover, we achieved a 10% relative improvement over the recently released Truth Forest (TrFf) method that also focused on ITI improvement.
Authors: Henrik Hose, Alexander Gr\"afe, Sebastian Trimpe
Abstract: Model Predictive Control (MPC) is a method to control nonlinear systems with guaranteed stability and constraint satisfaction but suffers from high computation times. Approximate MPC (AMPC) with neural networks (NNs) has emerged to address this limitation, enabling deployment on resource-constrained embedded systems. However, when tuning AMPCs for real-world systems, large datasets need to be regenerated and the NN needs to be retrained at every tuning step. This work introduces a novel, parameter-adaptive AMPC architecture capable of online tuning without recomputing large datasets and retraining. By incorporating local sensitivities of nonlinear programs, the proposed method not only mimics optimal MPC inputs but also adjusts to known changes in physical parameters of the model using linear predictions while still guaranteeing stability. We showcase the effectiveness of parameter-adaptive AMPC by controlling the swing-ups of two different real cartpole systems with a severely resource-constrained microcontroller (MCU). We use the same NN across both system instances that have different parameters. This work not only represents the first experimental demonstration of AMPC for fast-moving systems on low-cost MCUs to the best of our knowledge, but also showcases generalization across system instances and variations through our parameter-adaptation method. Taken together, these contributions represent a marked step toward the practical application of AMPC in real-world systems.
Authors: Javier Rando, Francesco Croce, Kry\v{s}tof Mitka, Stepan Shabalin, Maksym Andriushchenko, Nicolas Flammarion, Florian Tram\`er
Abstract: Large language models are aligned to be safe, preventing users from generating harmful content like misinformation or instructions for illegal activities. However, previous work has shown that the alignment process is vulnerable to poisoning attacks. Adversaries can manipulate the safety training data to inject backdoors that act like a universal sudo command: adding the backdoor string to any prompt enables harmful responses from models that, otherwise, behave safely. Our competition, co-located at IEEE SaTML 2024, challenged participants to find universal backdoors in several large language models. This report summarizes the key findings and promising ideas for future research.
Authors: Javier Lopez-Piqueres, Jing Chen
Abstract: In this study, we introduce a novel family of tensor networks, termed \textit{constrained matrix product states} (MPS), designed to incorporate exactly arbitrary discrete linear constraints, including inequalities, into sparse block structures. These tensor networks are particularly tailored for modeling distributions with support strictly over the feasible space, offering benefits such as reducing the search space in optimization problems, alleviating overfitting, improving training efficiency, and decreasing model size. Central to our approach is the concept of a quantum region, an extension of quantum numbers traditionally used in U(1) symmetric tensor networks, adapted to capture any linear constraint, including the unconstrained scenario. We further develop a novel canonical form for these new MPS, which allow for the merging and factorization of tensor blocks according to quantum region fusion rules and permit optimal truncation schemes. Utilizing this canonical form, we apply an unsupervised training strategy to optimize arbitrary objective functions subject to discrete linear constraints. Our method's efficacy is demonstrated by solving the quadratic knapsack problem, achieving superior performance compared to a leading nonlinear integer programming solver. Additionally, we analyze the complexity and scalability of our approach, demonstrating its potential in addressing complex constrained combinatorial optimization problems.
Authors: Yuling Jiao, Lican Kang, Jin Liu, Heng Peng, Heng Zuo
Abstract: Deep nonparametric regression, characterized by the utilization of deep neural networks to learn target functions, has emerged as a focus of research attention in recent years. Despite considerable progress in understanding convergence rates, the absence of asymptotic properties hinders rigorous statistical inference. To address this gap, we propose a novel framework that transforms the deep estimation paradigm into a platform conducive to conditional mean estimation, leveraging the conditional diffusion model. Theoretically, we develop an end-to-end convergence rate for the conditional diffusion model and establish the asymptotic normality of the generated samples. Consequently, we are equipped to construct confidence regions, facilitating robust statistical inference. Furthermore, through numerical experiments, we empirically validate the efficacy of our proposed methodology.
Authors: Fan Wang, Chuan Lin, Yang Cao, Yu Kang
Abstract: In-context learning (ICL) is becoming increasingly appealing to the AI community due to its flexibility, generality, sample efficiency, and exemption from artificial optimization skills. It is desirable to further enhance the generality and capability of ICL, which gives rise to the concept of general-purpose in-context learning (GPICL). We aim to extend ICL to address a broader range of tasks with an extended learning horizon and higher improvement potential, albeit with relatively limited zero-shot generalization. To this end, we introduce two lightweight but insightful benchmarks specifically crafted to train and evaluate GPICL functionalities. Each benchmark includes a vast number of tasks characterized by significant task variance, featuring minimal transferable knowledge among tasks. These tasks are designed to facilitate lifelong in-context learning through continuous generation and interaction. These features pose significant challenges for models that rely on context or interactions to improve their proficiency, including language models, decision models, and world models. Our experiments reveal that the scale of parameters alone may not be crucial for ICL or GPICL, suggesting alternative approaches such as increasing the scale of contexts and memory states.
Authors: Linus Jeary, Tom Kuipers, Mehran Hosseini, Nicola Paoletti
Abstract: Conformal Prediction (CP) is a popular uncertainty quantification method that provides distribution-free, statistically valid prediction sets, assuming that training and test data are exchangeable. In such a case, CP's prediction sets are guaranteed to cover the (unknown) true test output with a user-specified probability. Nevertheless, this guarantee is violated when the data is subjected to adversarial attacks, which often result in a significant loss of coverage. Recently, several approaches have been put forward to recover CP guarantees in this setting. These approaches leverage variations of randomised smoothing to produce conservative sets which account for the effect of the adversarial perturbations. They are, however, limited in that they only support $\ell^2$-bounded perturbations and classification tasks. This paper introduces VRCP (Verifiably Robust Conformal Prediction), a new framework that leverages recent neural network verification methods to recover coverage guarantees under adversarial attacks. Our VRCP method is the first to support perturbations bounded by arbitrary norms including $\ell^1$, $\ell^2$, and $\ell^\infty$, as well as regression tasks. We evaluate and compare our approach on image classification tasks (CIFAR10, CIFAR100, and TinyImageNet) and regression tasks for deep reinforcement learning environments. In every case, VRCP achieves above nominal coverage and yields significantly more efficient and informative prediction regions than the SotA.
Authors: Zixian Guo, Ming Liu, Zhilong Ji, Jinfeng Bai, Yiwen Guo, Wangmeng Zuo
Abstract: Learning a skill generally relies on both practical experience by doer and insightful high-level guidance by instructor. Will this strategy also work well for solving complex non-convex optimization problems? Here, a common gradient-based optimizer acts like a disciplined doer, making locally optimal update at each step. Recent methods utilize large language models (LLMs) to optimize solutions for concrete problems by inferring from natural language instructions, akin to a high-level instructor. In this paper, we show that these two optimizers are complementary to each other, suggesting a collaborative optimization approach. The gradient-based optimizer and LLM-based optimizer are combined in an interleaved manner. We instruct LLMs using task descriptions and timely optimization trajectories recorded during gradient-based optimization. Inferred results from LLMs are used as restarting points for the next stage of gradient optimization. By leveraging both the locally rigorous gradient-based optimizer and the high-level deductive LLM-based optimizer, our combined optimization method consistently yields improvements over competitive baseline prompt tuning methods. Our results demonstrate the synergistic effect of conventional gradient-based optimization and the inference ability of LLMs. The code is released at https://github.com/guozix/LLM-catalyst.
Authors: Alaa Nfissi, Wassim Bouachir, Nizar Bouguila, Brian Mishara
Abstract: In speech emotion recognition (SER), using predefined features without considering their practical importance may lead to high dimensional datasets, including redundant and irrelevant information. Consequently, high-dimensional learning often results in decreasing model accuracy while increasing computational complexity. Our work underlines the importance of carefully considering and analyzing features in order to build efficient SER systems. We present a new supervised SER method based on an efficient feature engineering approach. We pay particular attention to the explainability of results to evaluate feature relevance and refine feature sets. This is performed iteratively through feature evaluation loop, using Shapley values to boost feature selection and improve overall framework performance. Our approach allows thus to balance the benefits between model performance and transparency. The proposed method outperforms human-level performance (HLP) and state-of-the-art machine learning methods in emotion recognition on the TESS dataset. The source code of this paper is publicly available at https://github.com/alaaNfissi/Iterative-Feature-Boosting-for-Explainable-Speech-Emotion-Recognition.
URLs: https://github.com/alaaNfissi/Iterative-Feature-Boosting-for-Explainable-Speech-Emotion-Recognition.
Authors: Deven Sethi, David \v{S}i\v{s}ka, Yufei Zhang
Abstract: Entropy regularization has been extensively used in policy optimization algorithms to regularize the optimization landscape and accelerate convergence; however, it comes at the cost of introducing an additional regularization bias. This work quantifies the impact of entropy regularization on the convergence of policy gradient methods for stochastic exit time control problems. We analyze a continuous-time policy mirror descent dynamics, which updates the policy based on the gradient of an entropy-regularized value function and adjusts the strength of entropy regularization as the algorithm progresses. We prove that with a fixed entropy level, the dynamics converges exponentially to the optimal solution of the regularized problem. We further show that when the entropy level decays at suitable polynomial rates, the annealed flow converges to the solution of the unregularized problem at a rate of $\mathcal O(1/S)$ for discrete action spaces and, under suitable conditions, at a rate of $\mathcal O(1/\sqrt{S})$ for general action spaces, with $S$ being the gradient flow time. This paper explains how entropy regularization improves policy optimization, even with the true gradient, from the perspective of convergence rate.
Authors: Jiaqi Xue, Mengxin Zheng, Yebowen Hu, Fei Liu, Xun Chen, Qian Lou
Abstract: Large Language Models (LLMs) are constrained by outdated information and a tendency to generate incorrect data, commonly referred to as "hallucinations." Retrieval-Augmented Generation (RAG) addresses these limitations by combining the strengths of retrieval-based methods and generative models. This approach involves retrieving relevant information from a large, up-to-date dataset and using it to enhance the generation process, leading to more accurate and contextually appropriate responses. Despite its benefits, RAG introduces a new attack surface for LLMs, particularly because RAG databases are often sourced from public data, such as the web. In this paper, we propose \TrojRAG{} to identify the vulnerabilities and attacks on retrieval parts (RAG database) and their indirect attacks on generative parts (LLMs). Specifically, we identify that poisoning several customized content passages could achieve a retrieval backdoor, where the retrieval works well for clean queries but always returns customized poisoned adversarial queries. Triggers and poisoned passages can be highly customized to implement various attacks. For example, a trigger could be a semantic group like "The Republican Party, Donald Trump, etc." Adversarial passages can be tailored to different contents, not only linked to the triggers but also used to indirectly attack generative LLMs without modifying them. These attacks can include denial-of-service attacks on RAG and semantic steering attacks on LLM generations conditioned by the triggers. Our experiments demonstrate that by just poisoning 10 adversarial passages can induce 98.2\% success rate to retrieve the adversarial passages. Then, these passages can increase the reject ratio of RAG-based GPT-4 from 0.01\% to 74.6\% or increase the rate of negative responses from 0.22\% to 72\% for targeted queries.
Authors: Yundi Zhang, Chen Chen, Suprosanna Shit, Sophie Starck, Daniel Rueckert, Jiazhen Pan
Abstract: Cardiac Magnetic Resonance (CMR) imaging serves as the gold-standard for evaluating cardiac morphology and function. Typically, a multi-view CMR stack, covering short-axis (SA) and 2/3/4-chamber long-axis (LA) views, is acquired for a thorough cardiac assessment. However, efficiently streamlining the complex, high-dimensional 3D+T CMR data and distilling compact, coherent representation remains a challenge. In this work, we introduce a whole-heart self-supervised learning framework that utilizes masked imaging modeling to automatically uncover the correlations between spatial and temporal patches throughout the cardiac stacks. This process facilitates the generation of meaningful and well-clustered heart representations without relying on the traditionally required, and often costly, labeled data. The learned heart representation can be directly used for various downstream tasks. Furthermore, our method demonstrates remarkable robustness, ensuring consistent representations even when certain CMR planes are missing/flawed. We train our model on 14,000 unlabeled CMR data from UK BioBank and evaluate it on 1,000 annotated data. The proposed method demonstrates superior performance to baselines in tasks that demand comprehensive 3D+T cardiac information, e.g. cardiac phenotype (ejection fraction and ventricle volume) prediction and multi-plane/multi-frame CMR segmentation, highlighting its effectiveness in extracting comprehensive cardiac features that are both anatomically and pathologically relevant.
Authors: Yuning Zhou, Henry Badgery, Matthew Read, James Bailey, Catherine E. Davey
Abstract: Self-supervised learning (SSL) has potential for effective representation learning in medical imaging, but the choice of data augmentation is critical and domain-specific. It remains uncertain if general augmentation policies suit surgical applications. In this work, we automate the search for suitable augmentation policies through a new method called Dimensionality Driven Augmentation Search (DDA). DDA leverages the local dimensionality of deep representations as a proxy target, and differentiably searches for suitable data augmentation policies in contrastive learning. We demonstrate the effectiveness and efficiency of DDA in navigating a large search space and successfully identifying an appropriate data augmentation policy for laparoscopic surgery. We systematically evaluate DDA across three laparoscopic image classification and segmentation tasks, where it significantly improves over existing baselines. Furthermore, DDA's optimised set of augmentations provides insight into domain-specific dependencies when applying contrastive learning in medical applications. For example, while hue is an effective augmentation for natural images, it is not advantageous for laparoscopic images.
Authors: Alaa Nfissi, Wassim Bouachir, Nizar Bouguila, Brian Mishara
Abstract: Speech emotion recognition (SER) has gained significant attention due to its several application fields, such as mental health, education, and human-computer interaction. However, the accuracy of SER systems is hindered by high-dimensional feature sets that may contain irrelevant and redundant information. To overcome this challenge, this study proposes an iterative feature boosting approach for SER that emphasizes feature relevance and explainability to enhance machine learning model performance. Our approach involves meticulous feature selection and analysis to build efficient SER systems. In addressing our main problem through model explainability, we employ a feature evaluation loop with Shapley values to iteratively refine feature sets. This process strikes a balance between model performance and transparency, which enables a comprehensive understanding of the model's predictions. The proposed approach offers several advantages, including the identification and removal of irrelevant and redundant features, leading to a more effective model. Additionally, it promotes explainability, facilitating comprehension of the model's predictions and the identification of crucial features for emotion determination. The effectiveness of the proposed method is validated on the SER benchmarks of the Toronto emotional speech set (TESS), Berlin Database of Emotional Speech (EMO-DB), Ryerson Audio-Visual Database of Emotional Speech and Song (RAVDESS), and Surrey Audio-Visual Expressed Emotion (SAVEE) datasets, outperforming state-of-the-art methods. To the best of our knowledge, this is the first work to incorporate model explainability into an SER framework. The source code of this paper is publicly available via this https://github.com/alaaNfissi/Unveiling-Hidden-Factors-Explainable-AI-for-Feature-Boosting-in-Speech-Emotion-Recognition.
Authors: Shilo Daum, Tal Shapira, Anat Bremler-Barr, David Hay
Abstract: With 95% of Internet traffic now encrypted, an effective approach to classifying this traffic is crucial for network security and management. This paper introduces ECHO -- a novel optimization process for ML/DL-based encrypted traffic classification. ECHO targets both classification time and memory utilization and incorporates two innovative techniques. The first component, HO (Hyperparameter Optimization of binnings), aims at creating efficient traffic representations. While previous research often uses representations that map packet sizes and packet arrival times to fixed-sized bins, we show that non-uniform binnings are significantly more efficient. These non-uniform binnings are derived by employing a hyperparameter optimization algorithm in the training stage. HO significantly improves accuracy given a required representation size, or, equivalently, achieves comparable accuracy using smaller representations. Then, we introduce EC (Early Classification of traffic), which enables faster classification using a cascade of classifiers adapted for different exit times, where classification is based on the level of confidence. EC reduces the average classification latency by up to 90\%. Remarkably, this method not only maintains classification accuracy but also, in certain cases, improves it. Using three publicly available datasets, we demonstrate that the combined method, Early Classification with Hyperparameter Optimization (ECHO), leads to a significant improvement in classification efficiency.
Authors: Jinwei Zeng, Chao Yu, Xinyi Yang, Wenxuan Ao, Jian Yuan, Yong Li, Yu Wang, Huazhong Yang
Abstract: Traffic signal control (TSC) is a promising low-cost measure to enhance transportation efficiency without affecting existing road infrastructure. While various reinforcement learning-based TSC methods have been proposed and experimentally outperform conventional rule-based methods, none of them has been deployed in the real world. An essential gap lies in the oversimplification of the scenarios in terms of intersection heterogeneity and road network intricacy. To make TSC applicable in urban traffic management, we target TSC coordination in city-scale high-authenticity road networks, aiming to solve the three unique and important challenges: city-level scalability, heterogeneity of real-world intersections, and effective coordination among intricate neighbor connections. Since optimizing multiple agents in a parameter-sharing paradigm can boost the training efficiency and help achieve scalability, we propose our method, CityLight, based on the well-acknowledged optimization framework, parameter-sharing MAPPO. To ensure the unified policy network can learn to fit large-scale heterogeneous intersections and tackle the intricate between-neighbor coordination, CityLight proposes a universal representation module that consists of two key designs: heterogeneous intersection alignment and neighborhood impact alignment for coordination. To further boost coordination, CityLight adopts neighborhood-integrated rewards to transition from achieving local optimal to global optimal. Extensive experiments on datasets with hundreds to tens of thousands of real-world intersections and authentic traffic demands validate the surprising effectiveness and generalizability of CityLight, with an overall performance gain of 11.66% and a 22.59% improvement in transfer scenarios in terms of throughput.
Authors: Clement Chadebec, Onur Tasar, Eyal Benaroche, Benjamin Aubin
Abstract: In this paper, we propose an efficient, fast, and versatile distillation method to accelerate the generation of pre-trained diffusion models: Flash Diffusion. The method reaches state-of-the-art performances in terms of FID and CLIP-Score for few steps image generation on the COCO2014 and COCO2017 datasets, while requiring only several GPU hours of training and fewer trainable parameters than existing methods. In addition to its efficiency, the versatility of the method is also exposed across several tasks such as text-to-image, inpainting, face-swapping, super-resolution and using different backbones such as UNet-based denoisers (SD1.5, SDXL) or DiT (Pixart-$\alpha$), as well as adapters. In all cases, the method allowed to reduce drastically the number of sampling steps while maintaining very high-quality image generation. The official implementation is available at https://github.com/gojasper/flash-diffusion.
Authors: Ryo Fujii, Hideo Saito, Hiroki Kajita
Abstract: Surgical tool detection is a fundamental task for understanding egocentric open surgery videos. However, detecting surgical tools presents significant challenges due to their highly imbalanced class distribution, similar shapes and similar textures, and heavy occlusion. The lack of a comprehensive large-scale dataset compounds these challenges. In this paper, we introduce EgoSurgery-Tool, an extension of the existing EgoSurgery-Phase dataset, which contains real open surgery videos captured using an egocentric camera attached to the surgeon's head, along with phase annotations. EgoSurgery-Tool has been densely annotated with surgical tools and comprises over 49K surgical tool bounding boxes across 15 categories, constituting a large-scale surgical tool detection dataset. EgoSurgery-Tool also provides annotations for hand detection with over 46K hand-bounding boxes, capturing hand-object interactions that are crucial for understanding activities in egocentric open surgery. EgoSurgery-Tool is superior to existing datasets due to its larger scale, greater variety of surgical tools, more annotations, and denser scenes. We conduct a comprehensive analysis of EgoSurgery-Tool using nine popular object detectors to assess their effectiveness in both surgical tool and hand detection. The dataset will be released at https://github.com/Fujiry0/EgoSurgery.
Authors: Hao Li, Yuping Wu, Viktor Schlegel, Riza Batista-Navarro, Tharindu Madusanka, Iqra Zahid, Jiayan Zeng, Xiaochi Wang, Xinran He, Yizhi Li, Goran Nenadic
Abstract: With the recent advances of large language models (LLMs), it is no longer infeasible to build an automated debate system that helps people to synthesise persuasive arguments. Previous work attempted this task by integrating multiple components. In our work, we introduce an argument mining dataset that captures the end-to-end process of preparing an argumentative essay for a debate, which covers the tasks of claim and evidence identification (Task 1 ED), evidence convincingness ranking (Task 2 ECR), argumentative essay summarisation and human preference ranking (Task 3 ASR) and metric learning for automated evaluation of resulting essays, based on human feedback along argument quality dimensions (Task 4 SQE). Our dataset contains 14k examples of claims that are fully annotated with the various properties supporting the aforementioned tasks. We evaluate multiple generative baselines for each of these tasks, including representative LLMs. We find, that while they show promising results on individual tasks in our benchmark, their end-to-end performance on all four tasks in succession deteriorates significantly, both in automated measures as well as in human-centred evaluation. This challenge presented by our proposed dataset motivates future research on end-to-end argument mining and summarisation. The repository of this project is available at https://github.com/HarrywillDr/ArgSum-Datatset