pwc-archive/papers-with-abstracts huggingface dataset:
Neural Model Checking
Authors: Mirco Giacobbe, Daniel Kroening, Abhinandan Pal, Michael Tautschnig
Date: 2024-10-31 00:00:00
Tasks: model

We introduce a machine learning approach to model checking temporal logic, with application to formal hardware verification. Model checking answers the question of whether every execution of a given system satisfies a desired temporal logic specification. Unlike testing, model checking provides formal guarantees. Its application is expected standard in silicon design and the EDA industry has invested decades into the development of performant symbolic model checking algorithms. Our new approach combines machine learning and symbolic reasoning by using neural networks as formal proof certificates for linear temporal logic. We train our neural certificates from randomly generated executions of the system and we then symbolically check their validity using satisfiability solving which, upon the affirmative answer, establishes that the system provably satisfies the specification. We leverage the expressive power of neural networks to represent proof certificates as well as the fact that checking a certificate is much simpler than finding one. As a result, our machine learning procedure for model checking is entirely unsupervised, formally sound, and practically effective. We experimentally demonstrate that our method outperforms the state-of-the-art academic and commercial model checkers on a set of standard hardware designs written in SystemVerilog.
Towards Convexity in Anomaly Detection: A New Formulation of SSLM with Unique Optimal Solutions
Authors: Hongying Liu, Hao Wang, Haoran Chu, Yibo Wu
Date: 2024-10-31 00:00:00
Tasks: Anomaly Detection

An unsolved issue in widely used methods such as Support Vector Data Description (SVDD) and Small Sphere and Large Margin SVM (SSLM) for anomaly detection is their nonconvexity, which hampers the analysis of optimal solutions in a manner similar to SVMs and limits their applicability in large-scale scenarios. In this paper, we introduce a novel convex SSLM formulation which has been demonstrated to revert to a convex quadratic programming problem for hyperparameter values of interest. Leveraging the convexity of our method, we derive numerous results that are unattainable with traditional nonconvex approaches. We conduct a thorough analysis of how hyperparameters influence the optimal solution, pointing out scenarios where optimal solutions can be trivially found and identifying instances of ill-posedness. Most notably, we establish connections between our method and traditional approaches, providing a clear determination of when the optimal solution is unique -- a task unachievable with traditional nonconvex methods. We also derive the {\nu}-property to elucidate the interactions between hyperparameters and the fractions of support vectors and margin errors in both positive and negative classes.
Towards Generative Ray Path Sampling for Faster Point-to-Point Ray Tracing
Authors: Jérome Eertmans, Nicola Di Cicco, Claude Oestges, Laurent Jacques, Enrico M. Vittuci, Vittorio Degli-Esposti
Date: 2024-10-31 00:00:00
Tasks: valid

Radio propagation modeling is essential in telecommunication research, as radio channels result from complex interactions with environmental objects. Recently, Machine Learning has been attracting attention as a potential alternative to computationally demanding tools, like Ray Tracing, which can model these interactions in detail. However, existing Machine Learning approaches often attempt to learn directly specific channel characteristics, such as the coverage map, making them highly specific to the frequency and material properties and unable to fully capture the underlying propagation mechanisms. Hence, Ray Tracing, particularly the Point-to-Point variant, remains popular to accurately identify all possible paths between transmitter and receiver nodes. Still, path identification is computationally intensive because the number of paths to be tested grows exponentially while only a small fraction is valid. In this paper, we propose a Machine Learning-aided Ray Tracing approach to efficiently sample potential ray paths, significantly reducing the computational load while maintaining high accuracy. Our model dynamically learns to prioritize potentially valid paths among all possible paths and scales linearly with scene complexity. Unlike recent alternatives, our approach is invariant with translation, scaling, or rotation of the geometry, and avoids dependency on specific environment characteristics.
Disentangling Interactions and Dependencies in Feature Attribution
Authors: Gunnar König, Eric Günther, Ulrike Von Luxburg
Date: 2024-10-31 00:00:00
Tasks: Feature Importance

In explainable machine learning, global feature importance methods try to determine how much each individual feature contributes to predicting the target variable, resulting in one importance score for each feature. But often, predicting the target variable requires interactions between several features (such as in the XOR function), and features might have complex statistical dependencies that allow to partially replace one feature with another one. In commonly used feature importance scores these cooperative effects are conflated with the features' individual contributions, making them prone to misinterpretations. In this work, we derive DIP, a new mathematical decomposition of individual feature importance scores that disentangles three components: the standalone contribution and the contributions stemming from interactions and dependencies. We prove that the DIP decomposition is unique and show how it can be estimated in practice. Based on these results, we propose a new visualization of feature importance scores that clearly illustrates the different contributions.
What is Wrong with Perplexity for Long-context Language Modeling?
Authors: Lizhe Fang, Yifei Wang, Zhaoyang Liu, Chenheng Zhang, Stefanie Jegelka, Jinyang Gao, Bolin Ding, Yisen Wang
Date: 2024-10-31 00:00:00
Tasks: Document Summarization, In-Context Learning, Language Modeling, Language Modelling, Long-Context Understanding

Handling long-context inputs is crucial for large language models (LLMs) in tasks such as extended conversations, document summarization, and many-shot in-context learning. While recent approaches have extended the context windows of LLMs and employed perplexity (PPL) as a standard evaluation metric, PPL has proven unreliable for assessing long-context capabilities. The underlying cause of this limitation has remained unclear. In this work, we provide a comprehensive explanation for this issue. We find that PPL overlooks key tokens, which are essential for long-context understanding, by averaging across all tokens and thereby obscuring the true performance of models in long-context scenarios. To address this, we propose \textbf{LongPPL}, a novel metric that focuses on key tokens by employing a long-short context contrastive method to identify them. Our experiments demonstrate that LongPPL strongly correlates with performance on various long-context benchmarks (e.g., Pearson correlation of -0.96), significantly outperforming traditional PPL in predictive accuracy. Additionally, we introduce \textbf{LongCE} (Long-context Cross-Entropy) loss, a re-weighting strategy for fine-tuning that prioritizes key tokens, leading to consistent improvements across diverse benchmarks. In summary, these contributions offer deeper insights into the limitations of PPL and present effective solutions for accurately evaluating and enhancing the long-context capabilities of LLMs. Code is available at https://github.com/PKU-ML/LongPPL.
A Non-Monolithic Policy Approach of Offline-to-Online Reinforcement Learning
Authors: Jaeyoon Kim, Junyu Xuan, Christy Liang, Farookh Hussain
Date: 2024-10-31 00:00:00
Tasks: Reinforcement Learning (RL)

Offline-to-online reinforcement learning (RL) leverages both pre-trained offline policies and online policies trained for downstream tasks, aiming to improve data efficiency and accelerate performance enhancement. An existing approach, Policy Expansion (PEX), utilizes a policy set composed of both policies without modifying the offline policy for exploration and learning. However, this approach fails to ensure sufficient learning of the online policy due to an excessive focus on exploration with both policies. Since the pre-trained offline policy can assist the online policy in exploiting a downstream task based on its prior experience, it should be executed effectively and tailored to the specific requirements of the downstream task. In contrast, the online policy, with its immature behavioral strategy, has the potential for exploration during the training phase. Therefore, our research focuses on harmonizing the advantages of the offline policy, termed exploitation, with those of the online policy, referred to as exploration, without modifying the offline policy. In this study, we propose an innovative offline-to-online RL method that employs a non-monolithic exploration approach. Our methodology demonstrates superior performance compared to PEX.
OCEAN: Offline Chain-of-thought Evaluation and Alignment in Large Language Models
Authors: Junda Wu, Xintong Li, Ruoyu Wang, Yu Xia, Yuxin Xiong, Jianing Wang, Tong Yu, Xiang Chen, Branislav Kveton, Lina Yao, Jingbo Shang, Julian McAuley
Date: 2024-10-31 00:00:00
Tasks: Entity Linking, Knowledge Graphs

Offline evaluation of LLMs is crucial in understanding their capacities, though current methods remain underexplored in existing research. In this work, we focus on the offline evaluation of the chain-of-thought capabilities and show how to optimize LLMs based on the proposed evaluation method. To enable offline feedback with rich knowledge and reasoning paths, we use knowledge graphs (e.g., Wikidata5m) to provide feedback on the generated chain of thoughts. Due to the heterogeneity between LLM reasoning and KG structures, direct interaction and feedback from KGs on LLM behavior are challenging, as they require accurate entity linking and grounding of LLM-generated chains of thought in the KG. To address the above challenge, we propose an offline chain-of-thought evaluation framework, OCEAN, which models chain-of-thought reasoning in LLMs as an MDP and evaluate the policy's alignment with KG preference modeling. To overcome the reasoning heterogeneity and grounding problems, we leverage on-policy KG exploration and RL to model a KG policy that generates token-level likelihood distributions for LLM-generated chain-of-thought reasoning paths, simulating KG reasoning preference. Then we incorporate the knowledge-graph feedback on the validity and alignment of the generated reasoning paths into inverse propensity scores and propose KG-IPS estimator. Theoretically, we prove the unbiasedness of the proposed KG-IPS estimator and provide a lower bound on its variance. With the off-policy evaluated value function, we can directly enable off-policy optimization to further enhance chain-of-thought alignment. Our empirical study shows that OCEAN can be efficiently optimized for generating chain-of-thought reasoning paths with higher estimated values without affecting LLMs' general abilities in downstream tasks or their internal knowledge.
Multi-fidelity Machine Learning for Uncertainty Quantification and Optimization
Authors: Ruda Zhang, Negin Alemazkoor
Date: 2024-10-30 00:00:00
Tasks: Bayesian Optimization, Uncertainty Quantification

In system analysis and design optimization, multiple computational models are typically available to represent a given physical system. These models can be broadly classified as high-fidelity models, which provide highly accurate predictions but require significant computational resources, and low-fidelity models, which are computationally efficient but less accurate. Multi-fidelity methods integrate high- and low-fidelity models to balance computational cost and predictive accuracy. This perspective paper provides an in-depth overview of the emerging field of machine learning-based multi-fidelity methods, with a particular emphasis on uncertainty quantification and optimization. For uncertainty quantification, a particular focus is on multi-fidelity graph neural networks, compared with multi-fidelity polynomial chaos expansion. For optimization, our emphasis is on multi-fidelity Bayesian optimization, offering a unified perspective on multi-fidelity priors and proposing an application strategy when the objective function is an integral or a weighted sum. We highlight the current state of the art, identify critical gaps in the literature, and outline key research opportunities in this evolving field.
Gradient-free training of recurrent neural networks
Authors: Erik Lien Bolager, Ana Cukarska, Iryna Burak, Zahra Monfared, Felix Dietrich
Date: 2024-10-30 00:00:00
Tasks: Time Series, Time Series Analysis, Time Series Forecasting

Recurrent neural networks are a successful neural architecture for many time-dependent problems, including time series analysis, forecasting, and modeling of dynamical systems. Training such networks with backpropagation through time is a notoriously difficult problem because their loss gradients tend to explode or vanish. In this contribution, we introduce a computational approach to construct all weights and biases of a recurrent neural network without using gradient-based methods. The approach is based on a combination of random feature networks and Koopman operator theory for dynamical systems. The hidden parameters of a single recurrent block are sampled at random, while the outer weights are constructed using extended dynamic mode decomposition. This approach alleviates all problems with backpropagation commonly related to recurrent networks. The connection to Koopman operator theory also allows us to start using results in this area to analyze recurrent neural networks. In computational experiments on time series, forecasting for chaotic dynamical systems, and control problems, as well as on weather data, we observe that the training time and forecasting accuracy of the recurrent neural networks we construct are improved when compared to commonly used gradient-based methods.
MDCure: A Scalable Pipeline for Multi-Document Instruction-Following
Authors: Gabrielle Kaili-May Liu, Bowen Shi, Avi Caciularu, Idan Szpektor, Arman Cohan
Date: 2024-10-30 00:00:00
Tasks: Articles, Instruction Following, Question Answering

Multi-document (MD) processing is crucial for LLMs to handle real-world tasks such as summarization and question-answering across large sets of documents. While LLMs have improved at processing long inputs, MD contexts still present unique difficulties, including management of inter-document dependencies, redundancy, and incoherent structures. To address this challenge, we introduce MDCure, a scalable and effective instruction data generation framework to enhance the MD capabilities of LLMs without the computational cost of pre-training or reliance on human-annotated data. MDCure generates high-quality synthetic MD instruction data over sets of articles via targeted prompts. We also introduce MDCureRM, a cost-effective, MD-specific reward model to score and filter generated data based on their training utility for MD settings. MDCure is compatible with open- and closed-source models in addition to policy optimization methods such as PPO, enabling even small open-source models to surpass proprietary LLMs as strong generators of high-quality MD instruction data without further data filtering. With MDCure, we fine-tune a wide variety of LLMs up to 70B parameters in size from the FlanT5, Qwen2, and LLAMA3.1 model families. Extensive evaluations on a wide range of MD and long-context benchmarks spanning various tasks and domains show MDCure consistently improves performance over pre-trained baselines and base models by up to 75.1%. Our code, datasets, and models are available at https://github.com/yale-nlp/MDCure.
Transformation-Invariant Learning and Theoretical Guarantees for OOD Generalization
Authors: Omar Montasser, Han Shao, Emmanuel Abbe
Date: 2024-10-30 00:00:00

Learning with identical train and test distributions has been extensively investigated both practically and theoretically. Much remains to be understood, however, in statistical learning under distribution shifts. This paper focuses on a distribution shift setting where train and test distributions can be related by classes of (data) transformation maps. We initiate a theoretical study for this framework, investigating learning scenarios where the target class of transformations is either known or unknown. We establish learning rules and algorithmic reductions to Empirical Risk Minimization (ERM), accompanied with learning guarantees. We obtain upper bounds on the sample complexity in terms of the VC dimension of the class composing predictors with transformations, which we show in many cases is not much larger than the VC dimension of the class of predictors. We highlight that the learning rules we derive offer a game-theoretic viewpoint on distribution shift: a learner searching for predictors and an adversary searching for transformation maps to respectively minimize and maximize the worst-case loss.
Rethinking Deep Thinking: Stable Learning of Algorithms using Lipschitz Constraints
Authors: Jay Bear, Adam Prügel-Bennett, Jonathon Hare
Date: 2024-10-30 00:00:00

Iterative algorithms solve problems by taking steps until a solution is reached. Models in the form of Deep Thinking (DT) networks have been demonstrated to learn iterative algorithms in a way that can scale to different sized problems at inference time using recurrent computation and convolutions. However, they are often unstable during training, and have no guarantees of convergence/termination at the solution. This paper addresses the problem of instability by analyzing the growth in intermediate representations, allowing us to build models (referred to as Deep Thinking with Lipschitz Constraints (DT-L)) with many fewer parameters and providing more reliable solutions. Additionally our DT-L formulation provides guarantees of convergence of the learned iterative procedure to a unique solution at inference time. We demonstrate DT-L is capable of robustly learning algorithms which extrapolate to harder problems than in the training set. We benchmark on the traveling salesperson problem to evaluate the capabilities of the modified system in an NP-hard problem where DT fails to learn.
The Sample Complexity of Learning Lipschitz Operators with respect to Gaussian Measures
Authors: Ben Adcock, Michael Griebel, Gregor Maier
Date: 2024-10-30 00:00:00
Tasks: Operator learning

Operator learning, the approximation of mappings between infinite-dimensional function spaces using machine learning, has gained increasing research attention in recent years. Approximate operators, learned from data, can serve as efficient surrogate models for problems in computational science and engineering, complementing traditional methods. However, despite their empirical success, our understanding of the underlying mathematical theory is in large part still incomplete. In this paper, we study the approximation of Lipschitz operators with respect to Gaussian measures. We prove higher Gaussian Sobolev regularity of Lipschitz operators and establish lower and upper bounds on the Hermite polynomial approximation error. We then study general reconstruction strategies of Lipschitz operators from $m$ arbitrary (potentially adaptive) linear samples. As a key finding, we tightly characterize the corresponding sample complexity, that is, the smallest achievable worst-case error among all possible choices of (adaptive) sampling and reconstruction strategies in terms of $m$. As a consequence, we identify an inherent curse of sample complexity: No method to approximate Lipschitz operators based on $m$ linear samples can achieve algebraic convergence rates in $m$. On the positive side, we prove that a sufficiently fast spectral decay of the covariance operator of the underlying Gaussian measure guarantees convergence rates which are arbitrarily close to any algebraic rate. Overall, by tightly characterizing the sample complexity, our work confirms the intrinsic difficulty of learning Lipschitz operators, regardless of the data or learning technique.
Learning and Transferring Sparse Contextual Bigrams with Linear Transformers
Authors: Yunwei Ren, Zixuan Wang, Jason D. Lee
Date: 2024-10-30 00:00:00
Tasks: Language Modeling, Language Modelling

Transformers have excelled in natural language modeling and one reason behind this success is their exceptional ability to combine contextual informal and global knowledge. However, the theoretical basis remains unclear. In this paper, first we introduce the Sparse Contextual Bigram (SCB), a natural extension of the classical bigram model, where the next token's generation depends on a sparse set of earlier positions determined by the last token. We then analyze the training dynamics and sample complexity of learning SCB using a one-layer linear transformer with a gradient-based algorithm. We show that when trained from scratch, the training process can be split into an initial sample-intensive stage where the correlation is boosted from zero to a nontrivial value, followed by a more sample-efficient stage of further improvement. Additionally, we prove that, provided a nontrivial correlation between the downstream and pretraining tasks, finetuning from a pretrained model allows us to bypass the initial sample-intensive stage. We also empirically demonstrate that our algorithm can outperform SGD in this setting and discuss its relationship with the usual softmax-based transformers.
Mind the Gap: A Generalized Approach for Cross-Modal Embedding Alignment
Authors: Arihan Yadav, Alan McMillan
Date: 2024-10-30 00:00:00
Tasks: Passage Retrieval, RAG, Retrieval, Retrieval-augmented Generation, Sentence, Text Generation, Transfer Learning

Retrieval-Augmented Generation (RAG) systems enhance text generation by incorporating external knowledge but often struggle when retrieving context across different text modalities due to semantic gaps. We introduce a generalized projection-based method, inspired by adapter modules in transfer learning, that efficiently bridges these gaps between various text types, such as programming code and pseudocode, or English and French sentences. Our approach emphasizes speed, accuracy, and data efficiency, requiring minimal resources for training and inference. By aligning embeddings from heterogeneous text modalities into a unified space through a lightweight projection network, our model significantly outperforms traditional retrieval methods like the Okapi BM25 algorithm and models like Dense Passage Retrieval (DPR), while approaching the accuracy of Sentence Transformers. Extensive evaluations demonstrate the effectiveness and generalizability of our method across different tasks, highlighting its potential for real-time, resource-constrained applications.