pwc-archive/papers-with-abstracts huggingface dataset:
One-Layer Transformers are Provably Optimal for In-context Reasoning and Distributional Association Learning in Next-Token Prediction Tasks
Authors: Quan Nguyen, Thanh Nguyen-Tang
Date: 2025-05-21 00:00:00

We study the approximation capabilities and on-convergence behaviors of one-layer transformers on the noiseless and noisy in-context reasoning of next-token prediction. Existing theoretical results focus on understanding the in-context reasoning behaviors for either the first gradient step or when the number of samples is infinite. Furthermore, no convergence rates nor generalization abilities were known. Our work addresses these gaps by showing that there exists a class of one-layer transformers that are provably Bayes-optimal with both linear and ReLU attention. When being trained with gradient descent, we show via a finite-sample analysis that the expected loss of these transformers converges at linear rate to the Bayes risk. Moreover, we prove that the trained models generalize to unseen samples as well as exhibit learning behaviors that were empirically observed in previous works. Our theoretical findings are further supported by extensive empirical validations.
Know When to Abstain: Optimal Selective Classification with Likelihood Ratios
Authors: Alvin Heng, Harold Soh
Date: 2025-05-21 00:00:00
Tasks: Classification, LEMMA

Selective classification enhances the reliability of predictive models by allowing them to abstain from making uncertain predictions. In this work, we revisit the design of optimal selection functions through the lens of the Neyman--Pearson lemma, a classical result in statistics that characterizes the optimal rejection rule as a likelihood ratio test. We show that this perspective not only unifies the behavior of several post-hoc selection baselines, but also motivates new approaches to selective classification which we propose here. A central focus of our work is the setting of covariate shift, where the input distribution at test time differs from that at training. This realistic and challenging scenario remains relatively underexplored in the context of selective classification. We evaluate our proposed methods across a range of vision and language tasks, including both supervised learning and vision-language models. Our experiments demonstrate that our Neyman--Pearson-informed methods consistently outperform existing baselines, indicating that likelihood ratio-based selection offers a robust mechanism for improving selective classification under covariate shifts. Our code is publicly available at https://github.com/clear-nus/sc-likelihood-ratios.
Unraveling the iterative CHAD
Authors: Fernando Lucatelli Nunes, Gordon Plotkin, Matthijs Vákár
Date: 2025-05-21 00:00:00

Combinatory Homomorphic Automatic Differentiation (CHAD) was originally formulated as a semantics-driven source transformation for reverse-mode AD in total programming languages. We extend this framework to partial languages with features such as potentially non-terminating operations, real-valued conditionals, and iteration constructs like while-loops, while preserving CHAD's structure-preserving semantics principle. A key contribution is the introduction of iteration-extensive indexed categories, which allow iteration in the base category to lift to parameterized initial algebras in the indexed category. This enables iteration to be interpreted in the Grothendieck construction of the target language in a principled way. The resulting fibred iterative structure cleanly models iteration in the categorical semantics. Consequently, the extended CHAD transformation remains the unique structure-preserving functor (an iterative Freyd category morphism) from the freely generated iterative Freyd category of the source language to the Grothendieck construction of the target's syntactic semantics, mapping each primitive operation to its derivative. We prove the correctness of this transformation using the universal property of the source language's syntax, showing that the transformed programs compute correct reverse-mode derivatives. Our development also contributes to understanding iteration constructs within dependently typed languages and categories of containers. As our primary motivation and application, we generalize CHAD to languages with data types, partial features, and iteration, providing the first rigorous categorical semantics for reverse-mode CHAD in such settings and formally guaranteeing the correctness of the source-to-source CHAD technique.
Learning to Rank Chain-of-Thought: An Energy-Based Approach with Outcome Supervision
Authors: Eric Hanchen Jiang, Haozheng Luo, Shengyuan Pang, Xiaomin Li, Zhenting Qi, Hengli Li, Cheng-Fu Yang, Zongyu Lin, Xinfeng Li, Hao Xu, Kai-Wei Chang, Ying Nian Wu
Date: 2025-05-21 00:00:00
Tasks: GSM8K, Learning-To-Rank, Math, Mathematical Reasoning

Mathematical reasoning presents a significant challenge for Large Language Models (LLMs), often requiring robust multi step logical consistency. While Chain of Thought (CoT) prompting elicits reasoning steps, it doesn't guarantee correctness, and improving reliability via extensive sampling is computationally costly. This paper introduces the Energy Outcome Reward Model (EORM), an effective, lightweight, post hoc verifier. EORM leverages Energy Based Models (EBMs) to simplify the training of reward models by learning to assign a scalar energy score to CoT solutions using only outcome labels, thereby avoiding detailed annotations. It achieves this by interpreting discriminator output logits as negative energies, effectively ranking candidates where lower energy is assigned to solutions leading to correct final outcomes implicitly favoring coherent reasoning. On mathematical benchmarks (GSM8k, MATH), EORM significantly improves final answer accuracy (e.g., with Llama 3 8B, achieving 90.7% on GSM8k and 63.7% on MATH). EORM effectively leverages a given pool of candidate solutions to match or exceed the performance of brute force sampling, thereby enhancing LLM reasoning outcome reliability through its streamlined post hoc verification process.
Meta-Design Matters: A Self-Design Multi-Agent System
Authors: Zixuan Ke, Austin Xu, Yifei Ming, Xuan-Phi Nguyen, Caiming Xiong, Shafiq Joty
Date: 2025-05-21 00:00:00
Tasks: Math, Problem Decomposition

Multi-agent systems (MAS) leveraging the impressive capabilities of Large Language Models (LLMs) hold significant potential for tackling complex tasks. However, most current MAS depend on manually designed agent roles and communication protocols. These manual designs often fail to align with the underlying LLMs' strengths and struggle to adapt to novel tasks. Recent automatic MAS approaches attempt to mitigate these limitations but typically necessitate a validation-set for tuning and yield static MAS designs lacking adaptability during inference. We introduce SELF-MAS, the first self-supervised, inference-time only framework for automatic MAS design. SELF-MAS employs meta-level design to iteratively generate, evaluate, and refine MAS configurations tailored to each problem instance, without requiring a validation set. Critically, it enables dynamic agent composition and problem decomposition through meta-feedback on solvability and completeness. Experiments across math, graduate-level QA, and software engineering benchmarks, using both closed-source and open-source LLM back-bones of varying sizes, demonstrate that SELF-MAS outperforms both manual and automatic MAS baselines, achieving a 7.44% average accuracy improvement over the next strongest baseline while maintaining cost-efficiency. These findings underscore the promise of meta-level self-supervised design for creating effective and adaptive MAS.
Toward Informed AV Decision-Making: Computational Model of Well-being and Trust in Mobility
Authors: Zahra Zahedi, Shashank Mehrotra, Teruhisa Misu, Kumar Akash
Date: 2025-05-21 00:00:00
Tasks: Causal Inference, Decision Making

For future human-autonomous vehicle (AV) interactions to be effective and smooth, human-aware systems that analyze and align human needs with automation decisions are essential. Achieving this requires systems that account for human cognitive states. We present a novel computational model in the form of a Dynamic Bayesian Network (DBN) that infers the cognitive states of both AV users and other road users, integrating this information into the AV's decision-making process. Specifically, our model captures the well-being of both an AV user and an interacting road user as cognitive states alongside trust. Our DBN models infer beliefs over the AV user's evolving well-being, trust, and intention states, as well as the possible well-being of other road users, based on observed interaction experiences. Using data collected from an interaction study, we refine the model parameters and empirically assess its performance. Finally, we extend our model into a causal inference model (CIM) framework for AV decision-making, enabling the AV to enhance user well-being and trust while balancing these factors with its own operational costs and the well-being of interacting road users. Our evaluation demonstrates the model's effectiveness in accurately predicting user's states and guiding informed, human-centered AV decisions.
JARVIS: A Multi-Agent Code Assistant for High-Quality EDA Script Generation
Authors: Ghasem Pasandi, Kishor Kunal, Varun Tej, Kunjal Shan, Hanfei Sun, Sumit Jain, Chunhui Li, Chenhui Deng, Teodor-Dumitru Ene, Haoxing Ren, Sreedhar Pratty
Date: 2025-05-20 00:00:00
Tasks: Hallucination, Script Generation

This paper presents JARVIS, a novel multi-agent framework that leverages Large Language Models (LLMs) and domain expertise to generate high-quality scripts for specialized Electronic Design Automation (EDA) tasks. By combining a domain-specific LLM trained with synthetically generated data, a custom compiler for structural verification, rule enforcement, code fixing capabilities, and advanced retrieval mechanisms, our approach achieves significant improvements over state-of-the-art domain-specific models. Our framework addresses the challenges of data scarcity and hallucination errors in LLMs, demonstrating the potential of LLMs in specialized engineering domains. We evaluate our framework on multiple benchmarks and show that it outperforms existing models in terms of accuracy and reliability. Our work sets a new precedent for the application of LLMs in EDA and paves the way for future innovations in this field.
SDLog: A Deep Learning Framework for Detecting Sensitive Information in Software Logs
Authors: Roozbeh Aghili, Xingfang Wu, Foutse khomh, Heng Li
Date: 2025-05-20 00:00:00

Software logs are messages recorded during the execution of a software system that provide crucial run-time information about events and activities. Although software logs have a critical role in software maintenance and operation tasks, publicly accessible log datasets remain limited, hindering advance in log analysis research and practices. The presence of sensitive information, particularly Personally Identifiable Information (PII) and quasi-identifiers, introduces serious privacy and re-identification risks, discouraging the publishing and sharing of real-world logs. In practice, log anonymization techniques primarily rely on regular expression patterns, which involve manually crafting rules to identify and replace sensitive information. However, these regex-based approaches suffer from significant limitations, such as extensive manual efforts and poor generalizability across diverse log formats and datasets. To mitigate these limitations, we introduce SDLog, a deep learning-based framework designed to identify sensitive information in software logs. Our results show that SDLog overcomes regex limitations and outperforms the best-performing regex patterns in identifying sensitive information. With only 100 fine-tuning samples from the target dataset, SDLog can correctly identify 99.5% of sensitive attributes and achieves an F1-score of 98.4%. To the best of our knowledge, this is the first deep learning alternative to regex-based methods in software log anonymization.
Flattening Hierarchies with Policy Bootstrapping
Authors: John L. Zhou, Jonathan C. Kao
Date: 2025-05-20 00:00:00

Offline goal-conditioned reinforcement learning (GCRL) is a promising approach for pretraining generalist policies on large datasets of reward-free trajectories, akin to the self-supervised objectives used to train foundation models for computer vision and natural language processing. However, scaling GCRL to longer horizons remains challenging due to the combination of sparse rewards and discounting, which obscures the comparative advantages of primitive actions with respect to distant goals. Hierarchical RL methods achieve strong empirical results on long-horizon goal-reaching tasks, but their reliance on modular, timescale-specific policies and subgoal generation introduces significant additional complexity and hinders scaling to high-dimensional goal spaces. In this work, we introduce an algorithm to train a flat (non-hierarchical) goal-conditioned policy by bootstrapping on subgoal-conditioned policies with advantage-weighted importance sampling. Our approach eliminates the need for a generative model over the (sub)goal space, which we find is key for scaling to high-dimensional control in large state spaces. We further show that existing hierarchical and bootstrapping-based approaches correspond to specific design choices within our derivation. Across a comprehensive suite of state- and pixel-based locomotion and manipulation benchmarks, our method matches or surpasses state-of-the-art offline GCRL algorithms and scales to complex, long-horizon tasks where prior approaches fail.
ZEBRA: Leveraging Model-Behavioral Knowledge for Zero-Annotation Preference Dataset Construction
Authors: Jeesu Jung, Chanjun Park, SangKeun Jung
Date: 2025-02-26 00:00:00

Recent efforts in LLM alignment have focused on constructing large-scale preference datasets via human or Artificial Intelligence (AI) annotators. However, such approaches rely on instance-wise supervision, incurring substantial annotation cost and limited interpretability. In this paper, we propose ZEBRA - a model behavior-wise zero-annotation framework that constructs preference data by leveraging model behavior knowledge derived from benchmark performances. ZEBRA binarizes response pairs by evaluating the quality and similarity of their origin models, entirely bypassing instance-level annotation. This allows scalable, controllable, and cost-effective alignment data generation. Empirical results show that ZEBRA achieves alignment performance comparable to instance-supervised methods, despite requiring no manual or model-based labeling.
Self-Evolving Curriculum for LLM Reasoning
Authors: Xiaoyin Chen, Jiarui Lu, Minsu Kim, Dinghuai Zhang, Jian Tang, Alexandre Piché, Nicolas Gontier, Yoshua Bengio, Ehsan Kamalloo
Date: 2025-05-20 00:00:00
Tasks: Code Generation, Policy Gradient Methods, Reinforcement Learning (RL)

Reinforcement learning (RL) has proven effective for fine-tuning large language models (LLMs), significantly enhancing their reasoning abilities in domains such as mathematics and code generation. A crucial factor influencing RL fine-tuning success is the training curriculum: the order in which training problems are presented. While random curricula serve as common baselines, they remain suboptimal; manually designed curricula often rely heavily on heuristics, and online filtering methods can be computationally prohibitive. To address these limitations, we propose Self-Evolving Curriculum (SEC), an automatic curriculum learning method that learns a curriculum policy concurrently with the RL fine-tuning process. Our approach formulates curriculum selection as a non-stationary Multi-Armed Bandit problem, treating each problem category (e.g., difficulty level or problem type) as an individual arm. We leverage the absolute advantage from policy gradient methods as a proxy measure for immediate learning gain. At each training step, the curriculum policy selects categories to maximize this reward signal and is updated using the TD(0) method. Across three distinct reasoning domains: planning, inductive reasoning, and mathematics, our experiments demonstrate that SEC significantly improves models' reasoning capabilities, enabling better generalization to harder, out-of-distribution test problems. Additionally, our approach achieves better skill balance when fine-tuning simultaneously on multiple reasoning domains. These findings highlight SEC as a promising strategy for RL fine-tuning of LLMs.
STree: Speculative Tree Decoding for Hybrid State-Space Models
Authors: Yangchao Wu, Zongyue Qin, Alex Wong, Stefano Soatto
Date: 2025-05-20 00:00:00
Tasks: State Space Models

Speculative decoding is a technique to leverage hardware concurrency to improve the efficiency of large-scale autoregressive (AR) Transformer models by enabling multiple steps of token generation in a single forward pass. State-space models (SSMs) are already more efficient than AR Transformers, since their state summarizes all past data with no need to cache or re-process tokens in the sliding window context. However, their state can also comprise thousands of tokens; so, speculative decoding has recently been extended to SSMs. Existing approaches, however, do not leverage the tree-based verification methods, since current SSMs lack the means to compute a token tree efficiently. We propose the first scalable algorithm to perform tree-based speculative decoding in state-space models (SSMs) and hybrid architectures of SSMs and Transformer layers. We exploit the structure of accumulated state transition matrices to facilitate tree-based speculative decoding with minimal overhead to current SSM state update implementations. With the algorithm, we describe a hardware-aware implementation that improves naive application of AR Transformer tree-based speculative decoding methods to SSMs. Furthermore, we outperform vanilla speculative decoding with SSMs even with a baseline drafting model and tree structure on three different benchmarks, opening up opportunities for further speed up with SSM and hybrid model inference. Code will be released upon paper acceptance.
Anomaly Detection Based on Critical Paths for Deep Neural Networks
Authors: Fangzhen Zhao, Chenyi Zhang, Naipeng Dong, Ming Li, Jinxiao Shan
Date: 2025-05-20 00:00:00
Tasks: Anomaly Detection

Deep neural networks (DNNs) are notoriously hard to understand and difficult to defend. Extracting representative paths (including the neuron activation values and the connections between neurons) from DNNs using software engineering approaches has recently shown to be a promising approach in interpreting the decision making process of blackbox DNNs, as the extracted paths are often effective in capturing essential features. With this in mind, this work investigates a novel approach that extracts critical paths from DNNs and subsequently applies the extracted paths for the anomaly detection task, based on the observation that outliers and adversarial inputs do not usually induce the same activation pattern on those paths as normal (in-distribution) inputs. In our approach, we first identify critical detection paths via genetic evolution and mutation. Since different paths in a DNN often capture different features for the same target class, we ensemble detection results from multiple paths by integrating random subspace sampling and a voting mechanism. Compared with state-of-the-art methods, our experimental results suggest that our method not only outperforms them, but it is also suitable for the detection of a broad range of anomaly types with high accuracy.
The Achilles Heel of AI: Fundamentals of Risk-Aware Training Data for High-Consequence Models
Authors: Dave Cook, Tim Klawa
Date: 2025-05-20 00:00:00
Tasks: Disaster Response, Diversity

AI systems in high-consequence domains such as defense, intelligence, and disaster response must detect rare, high-impact events while operating under tight resource constraints. Traditional annotation strategies that prioritize label volume over informational value introduce redundancy and noise, limiting model generalization. This paper introduces smart-sizing, a training data strategy that emphasizes label diversity, model-guided selection, and marginal utility-based stopping. We implement this through Adaptive Label Optimization (ALO), combining pre-labeling triage, annotator disagreement analysis, and iterative feedback to prioritize labels that meaningfully improve model performance. Experiments show that models trained on 20 to 40 percent of curated data can match or exceed full-data baselines, particularly in rare-class recall and edge-case generalization. We also demonstrate how latent labeling errors embedded in training and validation sets can distort evaluation, underscoring the need for embedded audit tools and performance-aware governance. Smart-sizing reframes annotation as a feedback-driven process aligned with mission outcomes, enabling more robust models with fewer labels and supporting efficient AI development pipelines for frontier models and operational systems.
Programmatic Video Prediction Using Large Language Models
Authors: Hao Tang, Kevin Ellis, Suhas Lohit, Michael J. Jones, Moitreya Chatterjee
Date: 2025-05-20 00:00:00
Tasks: Autonomous Driving, Prediction, Video Generation, Video Prediction

The task of estimating the world model describing the dynamics of a real world process assumes immense importance for anticipating and preparing for future outcomes. For applications such as video surveillance, robotics applications, autonomous driving, etc. this objective entails synthesizing plausible visual futures, given a few frames of a video to set the visual context. Towards this end, we propose ProgGen, which undertakes the task of video frame prediction by representing the dynamics of the video using a set of neuro-symbolic, human-interpretable set of states (one per frame) by leveraging the inductive biases of Large (Vision) Language Models (LLM/VLM). In particular, ProgGen utilizes LLM/VLM to synthesize programs: (i) to estimate the states of the video, given the visual context (i.e. the frames); (ii) to predict the states corresponding to future time steps by estimating the transition dynamics; (iii) to render the predicted states as visual RGB-frames. Empirical evaluations reveal that our proposed method outperforms competing techniques at the task of video frame prediction in two challenging environments: (i) PhyWorld (ii) Cart Pole. Additionally, ProgGen permits counter-factual reasoning and interpretable video generation attesting to its effectiveness and generalizability for video generation tasks.