pwc-archive/papers-with-abstracts huggingface dataset:
Sample, Scrutinize and Scale: Effective Inference-Time Search by Scaling Verification
Authors: Eric Zhao, Pranjal Awasthi, Sreenivas Gollapudi
Date: 2025-02-03 00:00:00
Tasks: Attribute

Sampling-based search, a simple paradigm for utilizing test-time compute, involves generating multiple candidate responses and selecting the best one -- typically by verifying each response for correctness. In this paper, we study the scaling trends governing sampling-based search. Among our findings is that simply scaling up a minimalist implementation that uses only random sampling and direct self-verification results in sustained performance improvements that, for example, elevate the Gemini v1.5 Pro model's reasoning capabilities past that of o1-Preview on popular benchmarks. We partially attribute the scalability of sampling-based search to a phenomenon of implicit scaling, where sampling a larger pool of responses in turn improves verification accuracy. We further identify two useful principles for improving self-verification capabilities with test-time compute: (1) comparing across responses provides helpful signals about the locations of errors and hallucinations, and (2) different model output styles are useful for different contexts -- chains of thought are useful for reasoning but harder to verify. We also find that, though accurate verification can be elicited, frontier models demonstrate remarkably weak out-of-box verification capabilities and introduce a benchmark to measure progress on these deficiencies.
Online Curvature-Aware Replay: Leveraging $\mathbf{2^{nd}}$ Order Information for Online Continual Learning
Authors: Edoardo Urettini, Antonio Carta
Date: 2025-02-03 00:00:00
Tasks: Continual Learning

Online Continual Learning (OCL) models continuously adapt to nonstationary data streams, usually without task information. These settings are complex and many traditional CL methods fail, while online methods (mainly replay-based) suffer from instabilities after the task shift. To address this issue, we formalize replay-based OCL as a second-order online joint optimization with explicit KL-divergence constraints on replay data. We propose Online Curvature-Aware Replay (OCAR) to solve the problem: a method that leverages second-order information of the loss using a K-FAC approximation of the Fisher Information Matrix (FIM) to precondition the gradient. The FIM acts as a stabilizer to prevent forgetting while also accelerating the optimization in non-interfering directions. We show how to adapt the estimation of the FIM to a continual setting stabilizing second-order optimization for non-iid data, uncovering the role of the Tikhonov regularization in the stability-plasticity tradeoff. Empirical results show that OCAR outperforms state-of-the-art methods in continual metrics achieving higher average accuracy throughout the training process in three different benchmarks.
Displacement-Sparse Neural Optimal Transport
Authors: Peter Chen, Yue Xie, Qingpeng Zhang
Date: 2025-02-03 00:00:00
Tasks: Dimensionality Reduction

Optimal Transport (OT) theory seeks to determine the map $T:X \to Y$ that transports a source measure $P$ to a target measure $Q$, minimizing the cost $c(\mathbf{x}, T(\mathbf{x}))$ between $\mathbf{x}$ and its image $T(\mathbf{x})$. Building upon the Input Convex Neural Network OT solver and incorporating the concept of displacement-sparse maps, we introduce a sparsity penalty into the minimax Wasserstein formulation, promote sparsity in displacement vectors $\Delta(\mathbf{x}) := T(\mathbf{x}) - \mathbf{x}$, and enhance the interpretability of the resulting map. However, increasing sparsity often reduces feasibility, causing $T_{\#}(P)$ to deviate more significantly from the target measure. In low-dimensional settings, we propose a heuristic framework to balance the trade-off between sparsity and feasibility by dynamically adjusting the sparsity intensity parameter during training. For high-dimensional settings, we directly constrain the dimensionality of displacement vectors by enforcing $\dim(\Delta(\mathbf{x})) \leq l$, where $l < d$ for $X \subseteq \mathbb{R}^d$. Among maps satisfying this constraint, we aim to identify the most feasible one. This goal can be effectively achieved by adapting our low-dimensional heuristic framework without resorting to dimensionality reduction. We validate our method on both synthesized sc-RNA and real 4i cell perturbation datasets, demonstrating improvements over existing methods.
LAST SToP For Modeling Asynchronous Time Series
Authors: Shubham Gupta, Thibaut Durand, Graham Taylor, Lilian W. Białokozowicz
Date: 2025-02-04 00:00:00
Tasks: Anomaly Detection, Imputation, Time Series, Time Series Analysis, World Knowledge

We present a novel prompt design for Large Language Models (LLMs) tailored to Asynchronous Time Series. Unlike regular time series, which assume values at evenly spaced time points, asynchronous time series consist of timestamped events occurring at irregular intervals, each described in natural language. Our approach effectively utilizes the rich natural language of event descriptions, allowing LLMs to benefit from their broad world knowledge for reasoning across different domains and tasks. This allows us to extend the scope of asynchronous time series analysis beyond forecasting to include tasks like anomaly detection and data imputation. We further introduce Stochastic Soft Prompting, a novel prompt-tuning mechanism that significantly improves model performance, outperforming existing fine-tuning methods such as QLoRA. Through extensive experiments on real world datasets, we demonstrate that our approach achieves state-of-the-art performance across different tasks and datasets.
Distributionally Robust Direct Preference Optimization
Authors: Zaiyan Xu, Sushil Vemuri, Kishan Panaganti, Dileep Kalathil, Rahul Jain, Deepak Ramachandran
Date: 2025-02-04 00:00:00

A major challenge in aligning large language models (LLMs) with human preferences is the issue of distribution shift. LLM alignment algorithms rely on static preference datasets, assuming that they accurately represent real-world user preferences. However, user preferences vary significantly across geographical regions, demographics, linguistic patterns, and evolving cultural trends. This preference distribution shift leads to catastrophic alignment failures in many real-world applications. We address this problem using the principled framework of distributionally robust optimization, and develop two novel distributionally robust direct preference optimization (DPO) algorithms, namely, Wasserstein DPO (WDPO) and Kullback-Leibler DPO (KLDPO). We characterize the sample complexity of learning the optimal policy parameters for WDPO and KLDPO. Moreover, we propose scalable gradient descent-style learning algorithms by developing suitable approximations for the challenging minimax loss functions of WDPO and KLDPO. Our empirical experiments demonstrate the superior performance of WDPO and KLDPO in substantially improving the alignment when there is a preference distribution shift.
Generative Data Mining with Longtail-Guided Diffusion
Authors: David S. Hayden, Mao Ye, Timur Garipov, Gregory P. Meyer, Carl Vondrick, Zhao Chen, Yuning Chai, Eric Wolff, Siddhartha S. Srinivasa
Date: 2025-02-04 00:00:00
Tasks: image-classification, Image Classification

It is difficult to anticipate the myriad challenges that a predictive model will encounter once deployed. Common practice entails a reactive, cyclical approach: model deployment, data mining, and retraining. We instead develop a proactive longtail discovery process by imagining additional data during training. In particular, we develop general model-based longtail signals, including a differentiable, single forward pass formulation of epistemic uncertainty that does not impact model parameters or predictive performance but can flag rare or hard inputs. We leverage these signals as guidance to generate additional training data from a latent diffusion model in a process we call Longtail Guidance (LTG). Crucially, we can perform LTG without retraining the diffusion model or the predictive model, and we do not need to expose the predictive model to intermediate diffusion states. Data generated by LTG exhibit semantically meaningful variation, yield significant generalization improvements on image classification benchmarks, and can be analyzed to proactively discover, explain, and address conceptual gaps in a predictive model.
A Periodic Bayesian Flow for Material Generation
Authors: Hanlin Wu, Yuxuan Song, Jingjing Gong, Ziyao Cao, Yawen Ouyang, Jianbing Zhang, Hao Zhou, Wei-Ying Ma, Jingjing Liu
Date: 2025-02-04 00:00:00

Generative modeling of crystal data distribution is an important yet challenging task due to the unique periodic physical symmetry of crystals. Diffusion-based methods have shown early promise in modeling crystal distribution. More recently, Bayesian Flow Networks were introduced to aggregate noisy latent variables, resulting in a variance-reduced parameter space that has been shown to be advantageous for modeling Euclidean data distributions with structural constraints (Song et al., 2023). Inspired by this, we seek to unlock its potential for modeling variables located in non-Euclidean manifolds e.g. those within crystal structures, by overcoming challenging theoretical issues. We introduce CrysBFN, a novel crystal generation method by proposing a periodic Bayesian flow, which essentially differs from the original Gaussian-based BFN by exhibiting non-monotonic entropy dynamics. To successfully realize the concept of periodic Bayesian flow, CrysBFN integrates a new entropy conditioning mechanism and empirically demonstrates its significance compared to time-conditioning. Extensive experiments over both crystal ab initio generation and crystal structure prediction tasks demonstrate the superiority of CrysBFN, which consistently achieves new state-of-the-art on all benchmarks. Surprisingly, we found that CrysBFN enjoys a significant improvement in sampling efficiency, e.g., ~100x speedup 10 v.s. 2000 steps network forwards) compared with previous diffusion-based methods on MP-20 dataset. Code is available at https://github.com/wu-han-lin/CrysBFN.
Online Clustering of Dueling Bandits
Authors: Zhiyong Wang, Jiahang Sun, Mingze Kong, Jize Xie, QinGhua Hu, John C. S. Lui, Zhongxiang Dai
Date: 2025-02-04 00:00:00
Tasks: Clustering, Decision Making, Decision Making Under Uncertainty, Online Clustering, Recommendation Systems, Sequential Decision Making

The contextual multi-armed bandit (MAB) is a widely used framework for problems requiring sequential decision-making under uncertainty, such as recommendation systems. In applications involving a large number of users, the performance of contextual MAB can be significantly improved by facilitating collaboration among multiple users. This has been achieved by the clustering of bandits (CB) methods, which adaptively group the users into different clusters and achieve collaboration by allowing the users in the same cluster to share data. However, classical CB algorithms typically rely on numerical reward feedback, which may not be practical in certain real-world applications. For instance, in recommendation systems, it is more realistic and reliable to solicit preference feedback between pairs of recommended items rather than absolute rewards. To address this limitation, we introduce the first "clustering of dueling bandit algorithms" to enable collaborative decision-making based on preference feedback. We propose two novel algorithms: (1) Clustering of Linear Dueling Bandits (COLDB) which models the user reward functions as linear functions of the context vectors, and (2) Clustering of Neural Dueling Bandits (CONDB) which uses a neural network to model complex, non-linear user reward functions. Both algorithms are supported by rigorous theoretical analyses, demonstrating that user collaboration leads to improved regret bounds. Extensive empirical evaluations on synthetic and real-world datasets further validate the effectiveness of our methods, establishing their potential in real-world applications involving multiple users with preference-based feedback.
Causally-informed Deep Learning towards Explainable and Generalizable Outcomes Prediction in Critical Care
Authors: Yuxiao Cheng, Xinxin Song, Ziqian Wang, Qin Zhong, Kunlun He, Jinli Suo
Date: 2025-02-04 00:00:00
Tasks: Causal Discovery, Circulatory Failure, Prediction

Recent advances in deep learning (DL) have prompted the development of high-performing early warning score (EWS) systems, predicting clinical deteriorations such as acute kidney injury, acute myocardial infarction, or circulatory failure. DL models have proven to be powerful tools for various tasks but come with the cost of lacking interpretability and limited generalizability, hindering their clinical applications. To develop a practical EWS system applicable to various outcomes, we propose causally-informed explainable early prediction model, which leverages causal discovery to identify the underlying causal relationships of prediction and thus owns two unique advantages: demonstrating the explicit interpretation of the prediction while exhibiting decent performance when applied to unfamiliar environments. Benefiting from these features, our approach achieves superior accuracy for 6 different critical deteriorations and achieves better generalizability across different patient groups, compared to various baseline algorithms. Besides, we provide explicit causal pathways to serve as references for assistant clinical diagnosis and potential interventions. The proposed approach enhances the practical application of deep learning in various medical scenarios.
Adviser-Actor-Critic: Eliminating Steady-State Error in Reinforcement Learning Control
Authors: Donghe Chen, Yubin Peng, Tengjie Zheng, Han Wang, Chaoran Qu, Lin Cheng
Date: 2025-02-04 00:00:00
Tasks: Reinforcement Learning (RL)

High-precision control tasks present substantial challenges for reinforcement learning (RL) algorithms, frequently resulting in suboptimal performance attributed to network approximation inaccuracies and inadequate sample quality.These issues are exacerbated when the task requires the agent to achieve a precise goal state, as is common in robotics and other real-world applications.We introduce Adviser-Actor-Critic (AAC), designed to address the precision control dilemma by combining the precision of feedback control theory with the adaptive learning capability of RL and featuring an Adviser that mentors the actor to refine control actions, thereby enhancing the precision of goal attainment.Finally, through benchmark tests, AAC outperformed standard RL algorithms in precision-critical, goal-conditioned tasks, demonstrating AAC's high precision, reliability, and robustness.Code are available at: https://anonymous.4open.science/r/Adviser-Actor-Critic-8AC5.
Error Distribution Smoothing:Advancing Low-Dimensional Imbalanced Regression
Authors: Donghe Chen, Jiaxuan Yue, Tengjie Zheng, Lanxuan Wang, Lin Cheng
Date: 2025-02-04 00:00:00
Tasks: regression

In real-world regression tasks, datasets frequently exhibit imbalanced distributions, characterized by a scarcity of data in high-complexity regions and an abundance in low-complexity areas. This imbalance presents significant challenges for existing classification methods with clear class boundaries, while highlighting a scarcity of approaches specifically designed for imbalanced regression problems. To better address these issues, we introduce a novel concept of Imbalanced Regression, which takes into account both the complexity of the problem and the density of data points, extending beyond traditional definitions that focus only on data density. Furthermore, we propose Error Distribution Smoothing (EDS) as a solution to tackle imbalanced regression, effectively selecting a representative subset from the dataset to reduce redundancy while maintaining balance and representativeness. Through several experiments, EDS has shown its effectiveness, and the related code and dataset can be accessed at https://anonymous.4open.science/r/Error-Distribution-Smoothing-762F.
FRAUD-RLA: A new reinforcement learning adversarial attack against credit card fraud detection
Authors: Daniele Lunghi, Yannick Molinghen, Alkis Simitsis, Tom Lenaerts, Gianluca Bontempi
Date: 2025-02-04 00:00:00
Tasks: Adversarial Attack, Fraud Detection

Adversarial attacks pose a significant threat to data-driven systems, and researchers have spent considerable resources studying them. Despite its economic relevance, this trend largely overlooked the issue of credit card fraud detection. To address this gap, we propose a new threat model that demonstrates the limitations of existing attacks and highlights the necessity to investigate new approaches. We then design a new adversarial attack for credit card fraud detection, employing reinforcement learning to bypass classifiers. This attack, called FRAUD-RLA, is designed to maximize the attacker's reward by optimizing the exploration-exploitation tradeoff and working with significantly less required knowledge than competitors. Our experiments, conducted on three different heterogeneous datasets and against two fraud detection systems, indicate that FRAUD-RLA is effective, even considering the severe limitations imposed by our threat model.
EdgeGFL: Rethinking Edge Information in Graph Feature Preference Learning
Authors: Shengda Zhuo, Jiwang Fang, Hongguang Lin, Yin Tang, Min Chen, ChangDong Wang, Shuqiang Huang
Date: 2025-02-04 00:00:00
Tasks: Representation Learning

Graph Neural Networks (GNNs) have significant advantages in handling non-Euclidean data and have been widely applied across various areas, thus receiving increasing attention in recent years. The framework of GNN models mainly includes the information propagation phase and the aggregation phase, treating nodes and edges as information entities and propagation channels, respectively. However, most existing GNN models face the challenge of disconnection between node and edge feature information, as these models typically treat the learning of edge and node features as independent tasks. To address this limitation, we aim to develop an edge-empowered graph feature preference learning framework that can capture edge embeddings to assist node embeddings. By leveraging the learned multidimensional edge feature matrix, we construct multi-channel filters to more effectively capture accurate node features, thereby obtaining the non-local structural characteristics and fine-grained high-order node features. Specifically, the inclusion of multidimensional edge information enhances the functionality and flexibility of the GNN model, enabling it to handle complex and diverse graph data more effectively. Additionally, integrating relational representation learning into the message passing framework allows graph nodes to receive more useful information, thereby facilitating node representation learning. Finally, experiments on four real-world heterogeneous graphs demonstrate the effectiveness of theproposed model.
Connections between Schedule-Free Optimizers, AdEMAMix, and Accelerated SGD Variants
Authors: Depen Morwani, Nikhil Vyas, HANLIN ZHANG, Sham Kakade
Date: 2025-02-04 00:00:00
Tasks: Language Modeling, Language Modelling

Recent advancements in deep learning optimization have introduced new algorithms, such as Schedule-Free optimizers, AdEMAMix, MARS and Lion which modify traditional momentum mechanisms. In a separate line of work, theoretical acceleration of stochastic gradient descent (SGD) in noise-dominated regime has been achieved by decoupling the momentum coefficient from the current gradient's weight. In this paper, we establish explicit connections between these two lines of work. We substantiate our theoretical findings with preliminary experiments on a 150m language modeling task. We find that AdEMAMix, which most closely resembles accelerated versions of stochastic gradient descent, exhibits superior performance. Building on these insights, we introduce a modification to AdEMAMix, termed Simplified-AdEMAMix, which maintains the same performance as AdEMAMix across both large and small batch-size settings while eliminating the need for two different momentum terms. The code for Simplified-AdEMAMix is available on the repository: https://github.com/DepenM/Simplified-AdEMAMix/.
Modular Training of Neural Networks aids Interpretability
Authors: Satvik Golechha, Maheep Chaudhary, Joan Velja, Alessandro Abate, Nandi Schoots
Date: 2025-02-04 00:00:00
Tasks: Graph Clustering, Spectral Graph Clustering

An approach to improve neural network interpretability is via clusterability, i.e., splitting a model into disjoint clusters that can be studied independently. We define a measure for clusterability and show that pre-trained models form highly enmeshed clusters via spectral graph clustering. We thus train models to be more modular using a ``clusterability loss'' function that encourages the formation of non-interacting clusters. Using automated interpretability techniques, we show that our method can help train models that are more modular and learn different, disjoint, and smaller circuits. We investigate CNNs trained on MNIST and CIFAR, small transformers trained on modular addition, and language models. Our approach provides a promising direction for training neural networks that learn simpler functions and are easier to interpret.
Flow Q-Learning
Authors: Seohong Park, Qiyang Li, Sergey Levine
Date: 2025-02-04 00:00:00
Tasks: Action Generation, D4RL, Offline RL, Q-Learning, Reinforcement Learning (RL)

We present flow Q-learning (FQL), a simple and performant offline reinforcement learning (RL) method that leverages an expressive flow-matching policy to model arbitrarily complex action distributions in data. Training a flow policy with RL is a tricky problem, due to the iterative nature of the action generation process. We address this challenge by training an expressive one-step policy with RL, rather than directly guiding an iterative flow policy to maximize values. This way, we can completely avoid unstable recursive backpropagation, eliminate costly iterative action generation at test time, yet still mostly maintain expressivity. We experimentally show that FQL leads to strong performance across 73 challenging state- and pixel-based OGBench and D4RL tasks in offline RL and offline-to-online RL. Project page: https://seohong.me/projects/fql/
Addressing Label Shift in Distributed Learning via Entropy Regularization
Authors: Zhiyuan Wu, Changkyu Choi, Xiangcheng Cao, Volkan Cevher, Ali Ramezani-Kebrya
Date: 2025-02-04 00:00:00

We address the challenge of minimizing true risk in multi-node distributed learning. These systems are frequently exposed to both inter-node and intra-node label shifts, which present a critical obstacle to effectively optimizing model performance while ensuring that data remains confined to each node. To tackle this, we propose the Versatile Robust Label Shift (VRLS) method, which enhances the maximum likelihood estimation of the test-to-train label density ratio. VRLS incorporates Shannon entropy-based regularization and adjusts the density ratio during training to better handle label shifts at the test time. In multi-node learning environments, VRLS further extends its capabilities by learning and adapting density ratios across nodes, effectively mitigating label shifts and improving overall model performance. Experiments conducted on MNIST, Fashion MNIST, and CIFAR-10 demonstrate the effectiveness of VRLS, outperforming baselines by up to 20% in imbalanced settings. These results highlight the significant improvements VRLS offers in addressing label shifts. Our theoretical analysis further supports this by establishing high-probability bounds on estimation errors.