pwc-archive/papers-with-abstracts huggingface dataset:
Linking Model Intervention to Causal Interpretation in Model Explanation
Authors: Debo Cheng, Ziqi Xu, Jiuyong Li, Lin Liu, Kui Yu, Thuc Duy Le, Jixue Liu
Date: 2024-10-21 00:00:00
Tasks: model

Intervention intuition is often used in model explanation where the intervention effect of a feature on the outcome is quantified by the difference of a model prediction when the feature value is changed from the current value to the baseline value. Such a model intervention effect of a feature is inherently association. In this paper, we will study the conditions when an intuitive model intervention effect has a causal interpretation, i.e., when it indicates whether a feature is a direct cause of the outcome. This work links the model intervention effect to the causal interpretation of a model. Such an interpretation capability is important since it indicates whether a machine learning model is trustworthy to domain experts. The conditions also reveal the limitations of using a model intervention effect for causal interpretation in an environment with unobserved features. Experiments on semi-synthetic datasets have been conducted to validate theorems and show the potential for using the model intervention effect for model interpretation.
Deep Graph Attention Networks
Authors: Jun Kato, Airi Mita, Keita Gobara, Akihiro Inokuchi
Date: 2024-10-21 00:00:00
Tasks: Graph Attention

Graphs are useful for representing various realworld objects. However, graph neural networks (GNNs) tend to suffer from over-smoothing, where the representations of nodes of different classes become similar as the number of layers increases, leading to performance degradation. A method that does not require protracted tuning of the number of layers is needed to effectively construct a graph attention network (GAT), a type of GNN. Therefore, we introduce a method called "DeepGAT" for predicting the class to which nodes belong in a deep GAT. It avoids over-smoothing in a GAT by ensuring that nodes in different classes are not similar at each layer. Using DeepGAT to predict class labels, a 15-layer network is constructed without the need to tune the number of layers. DeepGAT prevented over-smoothing and achieved a 15-layer GAT with similar performance to a 2-layer GAT, as indicated by the similar attention coefficients. DeepGAT enables the training of a large network to acquire similar attention coefficients to a network with few layers. It avoids the over-smoothing problem and obviates the need to tune the number of layers, thus saving time and enhancing GNN performance.
Large Deviation Upper Bounds and Improved MSE Rates of Nonlinear SGD: Heavy-tailed Noise and Power of Symmetry
Authors: Aleksandar Armacki, Shuhua Yu, Dragana Bajovic, Dusan Jakovetic, Soummya Kar
Date: 2024-10-21 00:00:00
Tasks: Quantization

We study large deviation upper bounds and mean-squared error (MSE) guarantees of a general framework of nonlinear stochastic gradient methods in the online setting, in the presence of heavy-tailed noise. Unlike existing works that rely on the closed form of a nonlinearity (typically clipping), our framework treats the nonlinearity in a black-box manner, allowing us to provide unified guarantees for a broad class of bounded nonlinearities, including many popular ones, like sign, quantization, normalization, as well as component-wise and joint clipping. We provide several strong results for a broad range of step-sizes in the presence of heavy-tailed noise with symmetric probability density function, positive in a neighbourhood of zero and potentially unbounded moments. In particular, for non-convex costs we provide a large deviation upper bound for the minimum norm-squared of gradients, showing an asymptotic tail decay on an exponential scale, at a rate $\sqrt{t} / \log(t)$. We establish the accompanying rate function, showing an explicit dependence on the choice of step-size, nonlinearity, noise and problem parameters. Next, for non-convex costs and the minimum norm-squared of gradients, we derive the optimal MSE rate $\widetilde{\mathcal{O}}(t^{-1/2})$. Moreover, for strongly convex costs and the last iterate, we provide an MSE rate that can be made arbitrarily close to the optimal rate $\mathcal{O}(t^{-1})$, improving on the state-of-the-art results in the presence of heavy-tailed noise. Finally, we establish almost sure convergence of the minimum norm-squared of gradients, providing an explicit rate, which can be made arbitrarily close to $o(t^{-1/4})$.
Test-time Adaptation for Cross-modal Retrieval with Query Shift
Authors: Haobin Li, Peng Hu, Qianjun Zhang, Xi Peng, Xiting Liu, Mouxing Yang
Date: 2024-10-21 00:00:00
Tasks: Cross-Modal Retrieval, Diversity, Retrieval, Test-time Adaptation

The success of most existing cross-modal retrieval methods heavily relies on the assumption that the given queries follow the same distribution of the source domain. However, such an assumption is easily violated in real-world scenarios due to the complexity and diversity of queries, thus leading to the query shift problem. Specifically, query shift refers to the online query stream originating from the domain that follows a different distribution with the source one. In this paper, we observe that query shift would not only diminish the uniformity (namely, within-modality scatter) of the query modality but also amplify the gap between query and gallery modalities. Based on the observations, we propose a novel method dubbed Test-time adaptation for Cross-modal Retrieval (TCR). In brief, TCR employs a novel module to refine the query predictions (namely, retrieval results of the query) and a joint objective to prevent query shift from disturbing the common space, thus achieving online adaptation for the cross-modal retrieval models with query shift. Expensive experiments demonstrate the effectiveness of the proposed TCR against query shift. The code will be released upon acceptance.
Long-time Integration of Nonlinear Wave Equations with Neural Operators
Authors: Guanhang Lei, Zhen Lei, Lei Shi
Date: 2024-10-21 00:00:00

Neural operators have shown promise in solving many types of Partial Differential Equations (PDEs). They are significantly faster compared to traditional numerical solvers once they have been trained with a certain amount of observed data. However, their numerical performance in solving time-dependent PDEs, particularly in long-time prediction of dynamic systems, still needs improvement. In this paper, we focus on solving the long-time integration of nonlinear wave equations via neural operators by replacing the initial condition with the prediction in a recurrent manner. Given limited observed temporal trajectory data, we utilize some intrinsic features of these nonlinear wave equations, such as conservation laws and well-posedness, to improve the algorithm design and reduce accumulated error. Our numerical experiments examine these improvements in the Korteweg-de Vries (KdV) equation, the sine-Gordon equation, and the Klein-Gordon wave equation on the irregular domain.
In-Trajectory Inverse Reinforcement Learning: Learn Incrementally Before An Ongoing Trajectory Terminates
Authors: Shicheng Liu, Minghui Zhu
Date: 2024-10-21 00:00:00

Inverse reinforcement learning (IRL) aims to learn a reward function and a corresponding policy that best fit the demonstrated trajectories of an expert. However, current IRL works cannot learn incrementally from an ongoing trajectory because they have to wait to collect at least one complete trajectory to learn. To bridge the gap, this paper considers the problem of learning a reward function and a corresponding policy while observing the initial state-action pair of an ongoing trajectory and keeping updating the learned reward and policy when new state-action pairs of the ongoing trajectory are observed. We formulate this problem as an online bi-level optimization problem where the upper level dynamically adjusts the learned reward according to the newly observed state-action pairs with the help of a meta-regularization term, and the lower level learns the corresponding policy. We propose a novel algorithm to solve this problem and guarantee that the algorithm achieves sub-linear local regret $O(\sqrt{T}+\log T+\sqrt{T}\log T)$. If the reward function is linear, we prove that the proposed algorithm achieves sub-linear regret $O(\log T)$. Experiments are used to validate the proposed algorithm.
On The Global Convergence Of Online RLHF With Neural Parametrization
Authors: Mudit Gaur, Amrit Singh Bedi, Raghu Pasupathy, Vaneet Aggarwal
Date: 2024-10-21 00:00:00

The importance of Reinforcement Learning from Human Feedback (RLHF) in aligning large language models (LLMs) with human values cannot be overstated. RLHF is a three-stage process that includes supervised fine-tuning (SFT), reward learning, and policy learning. Although there are several offline and online approaches to aligning LLMs, they often suffer from distribution shift issues. These issues arise from the inability to accurately capture the distributional interdependence between the reward learning and policy learning stages. Consequently, this has led to various approximated approaches, but the theoretical insights and motivations remain largely limited to tabular settings, which do not hold in practice. This gap between theoretical insights and practical implementations is critical. It is challenging to address this gap as it requires analyzing the performance of AI alignment algorithms in neural network-parameterized settings. Although bi-level formulations have shown promise in addressing distribution shift issues, they suffer from the hyper-gradient problem, and current approaches lack efficient algorithms to solve this. In this work, we tackle these challenges employing the bi-level formulation laid out in Kwon et al. (2024) along with the assumption \emph{Weak Gradient Domination} to demonstrate convergence in an RLHF setup, obtaining a sample complexity of $\epsilon^{-\frac{7}{2}}$ . Our key contributions are twofold: (i) We propose a bi-level formulation for AI alignment in parameterized settings and introduce a first-order approach to solve this problem. (ii) We analyze the theoretical convergence rates of the proposed algorithm and derive state-of-the-art bounds. To the best of our knowledge, this is the first work to establish convergence rate bounds and global optimality for the RLHF framework in neural network-parameterized settings.
Moonshine: Speech Recognition for Live Transcription and Voice Commands
Authors: Nat Jeffries, Evan King, Manjunath Kudlur, Guy Nicholson, James Wang, Pete Warden
Date: 2024-10-21 00:00:00
Tasks: Decoder, Position, speech-recognition, Speech Recognition

This paper introduces Moonshine, a family of speech recognition models optimized for live transcription and voice command processing. Moonshine is based on an encoder-decoder transformer architecture and employs Rotary Position Embedding (RoPE) instead of traditional absolute position embeddings. The model is trained on speech segments of various lengths, but without using zero-padding, leading to greater efficiency for the encoder during inference time. When benchmarked against OpenAI's Whisper tiny-en, Moonshine Tiny demonstrates a 5x reduction in compute requirements for transcribing a 10-second speech segment while incurring no increase in word error rates across standard evaluation datasets. These results highlight Moonshine's potential for real-time and resource-constrained applications.
All You Need is an Improving Column: Enhancing Column Generation for Parallel Machine Scheduling via Transformers
Authors: Amira Hijazi, Osman Ozaltin, Reha Uzsoy
Date: 2024-10-21 00:00:00
Tasks: All, Decoder, Scheduling

We present a neural network-enhanced column generation (CG) approach for a parallel machine scheduling problem. The proposed approach utilizes an encoder-decoder attention model, namely the transformer and pointer architectures, to develop job sequences with negative reduced cost and thus generate columns to add to the master problem. By training the neural network offline and using it in inference mode to predict negative reduced costs columns, we achieve significant computational time savings compared to dynamic programming (DP). Since the exact DP procedure is used to verify that no further columns with negative reduced cost can be identified at termination, the optimality guarantee of the original CG procedure is preserved. For small to medium-sized instances, our approach achieves an average 45% reduction in computation time compared to solving the subproblems with DP. Furthermore, the model generalizes not only to unseen, larger problem instances from the same probability distribution but also to instances from different probability distributions than those presented at training time. For large-sized instances, the proposed approach achieves an 80% improvement in the objective value in under 500 seconds, demonstrating both its scalability and efficiency.
CPE-Pro: A Structure-Sensitive Deep Learning Method for Protein Representation and Origin Evaluation
Authors: Wenrui Gou, Wenhui Ge, Yang Tan, Mingchen Li, Guisheng Fan, Huiqun Yu
Date: 2024-10-21 00:00:00
Tasks: Language Modeling, Language Modelling, Prediction, Protein Structure Prediction

Protein structures are important for understanding their functions and interactions. Currently, many protein structure prediction methods are enriching the structure database. Discriminating the origin of structures is crucial for distinguishing between experimentally resolved and computationally predicted structures, evaluating the reliability of prediction methods, and guiding downstream biological studies. Building on works in structure prediction, We developed a structure-sensitive supervised deep learning model, Crystal vs Predicted Evaluator for Protein Structure (CPE-Pro), to represent and discriminate the origin of protein structures. CPE-Pro learns the structural information of proteins and captures inter-structural differences to achieve accurate traceability on four data classes, and is expected to be extended to more. Simultaneously, we utilized Foldseek to encode protein structures into "structure-sequences" and trained a protein Structural Sequence Language Model, SSLM. Preliminary experiments demonstrated that, compared to large-scale protein language models pre-trained on vast amounts of amino acid sequences, the "structure-sequence" enables the language model to learn more informative protein features, enhancing and optimizing structural representations. We have provided the code, model weights, and all related materials on https://github.com/GouWenrui/CPE-Pro-main.git.
SSMT: Few-Shot Traffic Forecasting with Single Source Meta-Transfer
Authors: Kishor Kumar Bhaumik, Minha Kim, Fahim Faisal Niloy, Amin Ahsan Ali, Simon S. Woo
Date: 2024-10-21 00:00:00
Tasks: Meta-Learning, Traffic Prediction, Transfer Learning

Traffic forecasting in Intelligent Transportation Systems (ITS) is vital for intelligent traffic prediction. Yet, ITS often relies on data from traffic sensors or vehicle devices, where certain cities might not have all those smart devices or enabling infrastructures. Also, recent studies have employed meta-learning to generalize spatial-temporal traffic networks, utilizing data from multiple cities for effective traffic forecasting for data-scarce target cities. However, collecting data from multiple cities can be costly and time-consuming. To tackle this challenge, we introduce Single Source Meta-Transfer Learning (SSMT) which relies only on a single source city for traffic prediction. Our method harnesses this transferred knowledge to enable few-shot traffic forecasting, particularly when the target city possesses limited data. Specifically, we use memory-augmented attention to store the heterogeneous spatial knowledge from the source city and selectively recall them for the data-scarce target city. We extend the idea of sinusoidal positional encoding to establish meta-learning tasks by leveraging diverse temporal traffic patterns from the source city. Moreover, to capture a more generalized representation of the positions we introduced a meta-positional encoding that learns the most optimal representation of the temporal pattern across all the tasks. We experiment on five real-world benchmark datasets to demonstrate that our method outperforms several existing methods in time series traffic prediction.
Language Models are Symbolic Learners in Arithmetic
Authors: Chunyuan Deng, Zhiqi Li, Roy Xie, Ruidi Chang, Hanjie Chen
Date: 2024-10-21 00:00:00
Tasks: Language Modeling, Language Modelling

Large Language Models (LLMs) are thought to struggle with arithmetic learning due to the inherent differences between language modeling and numerical computation, but concrete evidence has been lacking. This work responds to this claim through a two-side experiment. We first investigate whether LLMs leverage partial products during arithmetic learning. We find that although LLMs can identify some partial products after learning, they fail to leverage them for arithmetic tasks, conversely. We then explore how LLMs approach arithmetic symbolically by breaking tasks into subgroups, hypothesizing that difficulties arise from subgroup complexity and selection. Our results show that when subgroup complexity is fixed, LLMs treat a collection of different arithmetic operations similarly. By analyzing position-level accuracy across different training sizes, we further observe that it follows a U-shaped pattern: LLMs quickly learn the easiest patterns at the first and last positions, while progressively learning the more difficult patterns in the middle positions. This suggests that LLMs select subgroup following an easy-to-hard paradigm during learning. Our work confirms that LLMs are pure symbolic learners in arithmetic tasks and underscores the importance of understanding them deeply through subgroup-level quantification.
Generalized Probabilistic Attention Mechanism in Transformers
Authors: DongNyeong Heo, Heeyoul Choi
Date: 2024-10-21 00:00:00
Tasks: Language Modeling, Language Modelling, Machine Translation

The Transformer architecture has become widely adopted due to its demonstrated success, attributed to the attention mechanism at its core. Despite these successes, the attention mechanism of Transformers is associated with two well-known issues: rank-collapse and gradient vanishing. In this paper, we present a theoretical analysis that it is inherently difficult to address both issues simultaneously in the conventional attention mechanism. To handle these issues, we introduce a novel class of attention mechanism, referred to as generalized probabilistic attention mechanism (GPAM), and its dual-attention implementation within the Transformer architecture. Unlike conventional attention mechanisms, GPAM allows for negative attention scores while preserving a fixed total sum. We provide theoretical evidence that the proposed dual-attention GPAM (daGPAM) effectively mitigates both the rank-collapse and gradient vanishing issues which are difficult to resolve simultaneously with the conventional attention mechanisms. Furthermore, we empirically validate this theoretical evidence, demonstrating the superiority of daGPAM compared to other alternative attention mechanisms that were proposed to address the same issues. Additionally, we demonstrate the practical benefits of GPAM in natural language processing tasks, such as language modeling and neural machine translation.
Reward Maximization for Pure Exploration: Minimax Optimal Good Arm Identification for Nonparametric Multi-Armed Bandits
Authors: Brian Cho, Dominik Meier, Kyra Gan, Nathan Kallus
Date: 2024-10-21 00:00:00
Tasks: Multi-Armed Bandits, valid

In multi-armed bandits, the tasks of reward maximization and pure exploration are often at odds with each other. The former focuses on exploiting arms with the highest means, while the latter may require constant exploration across all arms. In this work, we focus on good arm identification (GAI), a practical bandit inference objective that aims to label arms with means above a threshold as quickly as possible. We show that GAI can be efficiently solved by combining a reward-maximizing sampling algorithm with a novel nonparametric anytime-valid sequential test for labeling arm means. We first establish that our sequential test maintains error control under highly nonparametric assumptions and asymptotically achieves the minimax optimal e-power, a notion of power for anytime-valid tests. Next, by pairing regret-minimizing sampling schemes with our sequential test, we provide an approach that achieves minimax optimal stopping times for labeling arms with means above a threshold, under an error probability constraint. Our empirical results validate our approach beyond the minimax setting, reducing the expected number of samples for all stopping times by at least 50% across both synthetic and real-world settings.
How to Find the Exact Pareto Front for Multi-Objective MDPs?
Authors: Yining Li, Peizhong Ju, Ness B. Shroff
Date: 2024-10-21 00:00:00

Multi-objective Markov Decision Processes (MDPs) are receiving increasing attention, as real-world decision-making problems often involve conflicting objectives that cannot be addressed by a single-objective MDP. The Pareto front identifies the set of policies that cannot be dominated, providing a foundation for finding optimal solutions that can efficiently adapt to various preferences. However, finding the Pareto front is a highly challenging problem. Most existing methods either (i) rely on traversing the continuous preference space, which is impractical and results in approximations that are difficult to evaluate against the true Pareto front, or (ii) focus solely on deterministic Pareto optimal policies, from which there are no known techniques to characterize the full Pareto front. Moreover, finding the structure of the Pareto front itself remains unclear even in the context of dynamic programming. This work addresses the challenge of efficiently discovering the Pareto front. By investigating the geometric structure of the Pareto front in MO-MDP, we uncover a key property: the Pareto front is on the boundary of a convex polytope whose vertices all correspond to deterministic policies, and neighboring vertices of the Pareto front differ by only one state-action pair of the deterministic policy, almost surely. This insight transforms the global comparison across all policies into a localized search among deterministic policies that differ by only one state-action pair, drastically reducing the complexity of searching for the exact Pareto front. We develop an efficient algorithm that identifies the vertices of the Pareto front by solving a single-objective MDP only once and then traversing the edges of the Pareto front, making it more efficient than existing methods. Our empirical studies demonstrate the effectiveness of our theoretical strategy in discovering the Pareto front.