pwc-archive/papers-with-abstracts huggingface dataset:
CXSimulator: A User Behavior Simulation using LLM Embeddings for Web-Marketing Campaign Assessment
Authors: Akira Kasuga, Ryo Yonetani
Date: 2024-07-31 00:00:00
Tasks: Marketing

This paper presents the Customer Experience (CX) Simulator, a novel framework designed to assess the effects of untested web-marketing campaigns through user behavior simulations. The proposed framework leverages large language models (LLMs) to represent various events in a user's behavioral history, such as viewing an item, applying a coupon, or purchasing an item, as semantic embedding vectors. We train a model to predict transitions between events from their LLM embeddings, which can even generalize to unseen events by learning from diverse training data. In web-marketing applications, we leverage this transition prediction model to simulate how users might react differently when new campaigns or products are presented to them. This allows us to eliminate the need for costly online testing and enhance the marketers' abilities to reveal insights. Our numerical evaluation and user study, utilizing BigQuery Public Datasets from the Google Merchandise Store, demonstrate the effectiveness of our framework.
Measuring What Matters: Intrinsic Distance Preservation as a Robust Metric for Embedding Quality
Authors: Steven N. Hart, Thomas E. Tavolara
Date: 2024-07-31 00:00:00

Unsupervised embeddings are fundamental to numerous machine learning applications, yet their evaluation remains a challenging task. Traditional assessment methods often rely on extrinsic variables, such as performance in downstream tasks, which can introduce confounding factors and mask the true quality of embeddings. This paper introduces the Intrinsic Distance Preservation Evaluation (IDPE) method, a novel approach for assessing embedding quality based on the preservation of Mahalanobis distances between data points in the original and embedded spaces. We demonstrate the limitations of extrinsic evaluation methods through a simple example, highlighting how they can lead to misleading conclusions about embedding quality. IDPE addresses these issues by providing a task-independent measure of how well embeddings preserve the intrinsic structure of the original data. Our method leverages efficient similarity search techniques to make it applicable to large-scale datasets. We compare IDPE with established intrinsic metrics like trustworthiness and continuity, as well as extrinsic metrics such as Average Rank and Mean Reciprocal Rank. Our results show that IDPE offers a more comprehensive and reliable assessment of embedding quality across various scenarios. We evaluate PCA and t-SNE embeddings using IDPE, revealing insights into their performance that are not captured by traditional metrics. This work contributes to the field by providing a robust, efficient, and interpretable method for embedding evaluation. IDPE's focus on intrinsic properties offers a valuable tool for researchers and practitioners seeking to develop and assess high-quality embeddings for diverse machine learning applications.
Higher order quantum reservoir computing for non-intrusive reduced-order models
Authors: Vinamr Jain, Romit Maulik
Date: 2024-07-31 00:00:00

Forecasting dynamical systems is of importance to numerous real-world applications. When possible, dynamical systems forecasts are constructed based on first-principles-based models such as through the use of differential equations. When these equations are unknown, non-intrusive techniques must be utilized to build predictive models from data alone. Machine learning (ML) methods have recently been used for such tasks. Moreover, ML methods provide the added advantage of significant reductions in time-to-solution for predictions in contrast with first-principle based models. However, many state-of-the-art ML-based methods for forecasting rely on neural networks, which may be expensive to train and necessitate requirements for large amounts of memory. In this work, we propose a quantum mechanics inspired ML modeling strategy for learning nonlinear dynamical systems that provides data-driven forecasts for complex dynamical systems with reduced training time and memory costs. This approach, denoted the quantum reservoir computing technique (QRC), is a hybrid quantum-classical framework employing an ensemble of interconnected small quantum systems via classical linear feedback connections. By mapping the dynamical state to a suitable quantum representation amenable to unitary operations, QRC is able to predict complex nonlinear dynamical systems in a stable and accurate manner. We demonstrate the efficacy of this framework through benchmark forecasts of the NOAA Optimal Interpolation Sea Surface Temperature dataset and compare the performance of QRC to other ML methods.
MART: MultiscAle Relational Transformer Networks for Multi-agent Trajectory Prediction
Authors: Seongju Lee, Junseok Lee, Yeonguk Yu, Taeri Kim, Kyoobin Lee
Date: 2024-07-31 00:00:00
Tasks: Autonomous Driving, Prediction, Trajectory Prediction

Multi-agent trajectory prediction is crucial to autonomous driving and understanding the surrounding environment. Learning-based approaches for multi-agent trajectory prediction, such as primarily relying on graph neural networks, graph transformers, and hypergraph neural networks, have demonstrated outstanding performance on real-world datasets in recent years. However, the hypergraph transformer-based method for trajectory prediction is yet to be explored. Therefore, we present a MultiscAle Relational Transformer (MART) network for multi-agent trajectory prediction. MART is a hypergraph transformer architecture to consider individual and group behaviors in transformer machinery. The core module of MART is the encoder, which comprises a Pair-wise Relational Transformer (PRT) and a Hyper Relational Transformer (HRT). The encoder extends the capabilities of a relational transformer by introducing HRT, which integrates hyperedge features into the transformer mechanism, promoting attention weights to focus on group-wise relations. In addition, we propose an Adaptive Group Estimator (AGE) designed to infer complex group relations in real-world environments. Extensive experiments on three real-world datasets (NBA, SDD, and ETH-UCY) demonstrate that our method achieves state-of-the-art performance, enhancing ADE/FDE by 3.9%/11.8% on the NBA dataset. Code is available at https://github.com/gist-ailab/MART.
Lyapunov weights to convey the meaning of time in physics-informed neural networks
Date: 2024-07-31 00:00:00

Time is not a dimension as the others. In Physics-Informed Neural Networks (PINN) several proposals attempted to adapt the time sampling or time weighting to take into account the specifics of this special dimension. But these proposals are not principled and need guidance to be used. We explain here theoretically why the Lyapunov exponents give actionable insights and propose a weighting scheme to automatically adapt to chaotic, periodic or stable dynamics. We characterize theoretically the best weighting scheme under computational constraints as a cumulative exponential integral of the local Lyapunov exponent estimators and show that it performs well in practice under the regimes mentioned above.
Comgra: A Tool for Analyzing and Debugging Neural Networks
Authors: Florian Dietz, Sophie Fellenz, Dietrich Klakow, Marius Kloft
Date: 2024-07-31 00:00:00

Neural Networks are notoriously difficult to inspect. We introduce comgra, an open source python library for use with PyTorch. Comgra extracts data about the internal activations of a model and organizes it in a GUI (graphical user interface). It can show both summary statistics and individual data points, compare early and late stages of training, focus on individual samples of interest, and visualize the flow of the gradient through the network. This makes it possible to inspect the model's behavior from many different angles and save time by rapidly testing different hypotheses without having to rerun it. Comgra has applications for debugging, neural architecture design, and mechanistic interpretability. We publish our library through Python Package Index (PyPI) and provide code, documentation, and tutorials at https://github.com/FlorianDietz/comgra.
Dynamic Universal Approximation Theory: Foundations for Parallelism in Neural Networks
Authors: Wei Wang, Qing Li
Date: 2024-07-31 00:00:00
Tasks: Deep Learning

Neural networks are increasingly evolving towards training large models with big data, a method that has demonstrated superior performance across many tasks. However, this approach introduces an urgent problem: current deep learning models are predominantly serial, meaning that as the number of network layers increases, so do the training and inference times. This is unacceptable if deep learning is to continue advancing. Therefore, this paper proposes a deep learning parallelization strategy based on the Universal Approximation Theorem (UAT). From this foundation, we designed a parallel network called Para-Former to test our theory. Unlike traditional serial models, the inference time of Para-Former does not increase with the number of layers, significantly accelerating the inference speed of multi-layer networks. Experimental results validate the effectiveness of this network.
Social Learning through Interactions with Other Agents: A Survey
Authors: Dylan Hillier, Cheston Tan, Jing Jiang
Date: 2024-07-31 00:00:00
Tasks: Behavioural cloning, Survey

Social learning plays an important role in the development of human intelligence. As children, we imitate our parents' speech patterns until we are able to produce sounds; we learn from them praising us and scolding us; and as adults, we learn by working with others. In this work, we survey the degree to which this paradigm -- social learning -- has been mirrored in machine learning. In particular, since learning socially requires interacting with others, we are interested in how embodied agents can and have utilised these techniques. This is especially in light of the degree to which recent advances in natural language processing (NLP) enable us to perform new forms of social learning. We look at how behavioural cloning and next-token prediction mirror human imitation, how learning from human feedback mirrors human education, and how we can go further to enable fully communicative agents that learn from each other. We find that while individual social learning techniques have been used successfully, there has been little unifying work showing how to bring them together into socially embodied agents.
Reinforcement Learning in High-frequency Market Making
Authors: Yuheng Zheng, Zihan Ding
Date: 2024-07-14 00:00:00
Tasks: Q-Learning, reinforcement-learning, Reinforcement Learning, Reinforcement Learning (RL)

This paper establishes a new and comprehensive theoretical analysis for the application of reinforcement learning (RL) in high-frequency market making. We bridge the modern RL theory and the continuous-time statistical models in high-frequency financial economics. Different with most existing literature on methodological research about developing various RL methods for market making problem, our work is a pilot to provide the theoretical analysis. We target the effects of sampling frequency, and find an interesting tradeoff between error and complexity of RL algorithm when tweaking the values of the time increment $\Delta$ $-$ as $\Delta$ becomes smaller, the error will be smaller but the complexity will be larger. We also study the two-player case under the general-sum game framework and establish the convergence of Nash equilibrium to the continuous-time game equilibrium as $\Delta\rightarrow0$. The Nash Q-learning algorithm, which is an online multi-agent RL method, is applied to solve the equilibrium. Our theories are not only useful for practitioners to choose the sampling frequency, but also very general and applicable to other high-frequency financial decision making problems, e.g., optimal executions, as long as the time-discretization of a continuous-time markov decision process is adopted. Monte Carlo simulation evidence support all of our theories.
Antibody DomainBed: Out-of-Distribution Generalization in Therapeutic Protein Design
Authors: Nataša Tagasovska, Ji Won Park, Matthieu Kirchmeyer, Nathan C. Frey, Andrew Martin Watkins, Aya Abdelsalam Ismail, Arian Rokkum Jamasb, Edith Lee, Tyler Bryson, Stephen Ra, Kyunghyun Cho
Date: 2024-07-15 00:00:00
Tasks: Domain Generalization, Drug Design, Out-of-Distribution Generalization, Protein Design

Machine learning (ML) has demonstrated significant promise in accelerating drug design. Active ML-guided optimization of therapeutic molecules typically relies on a surrogate model predicting the target property of interest. The model predictions are used to determine which designs to evaluate in the lab, and the model is updated on the new measurements to inform the next cycle of decisions. A key challenge is that the experimental feedback from each cycle inspires changes in the candidate proposal or experimental protocol for the next cycle, which lead to distribution shifts. To promote robustness to these shifts, we must account for them explicitly in the model training. We apply domain generalization (DG) methods to classify the stability of interactions between an antibody and antigen across five domains defined by design cycles. Our results suggest that foundational models and ensembling improve predictive performance on out-of-distribution domains. We publicly release our codebase extending the DG benchmark ``DomainBed,'' and the associated dataset of antibody sequences and structures emulating distribution shifts across design cycles.
Data-Driven Abstractions via Binary-Tree Gaussian Processes for Formal Verification
Authors: Oliver Schön, Shammakh Naseer, Ben Wooding, Sadegh Soudjani
Date: 2024-07-15 00:00:00
Tasks: Gaussian Processes

To advance formal verification of stochastic systems against temporal logic requirements for handling unknown dynamics, researchers have been designing data-driven approaches inspired by breakthroughs in the underlying machine learning techniques. As one promising research direction, abstraction-based solutions based on Gaussian process (GP) regression have become popular for their ability to learn a representation of the latent system from data with a quantified error. Results obtained based on this model are then translated to the true system via various methods. In a recent publication, GPs using a so-called binary-tree kernel have demonstrated a polynomial speedup w.r.t. the size of the data compared to their vanilla version, outcompeting all existing sparse GP approximations. Incidentally, the resulting binary-tree Gaussian process (BTGP) is characteristic for its piecewise-constant posterior mean and covariance functions, naturally abstracting the input space into discrete partitions. In this paper, we leverage this natural abstraction of the BTGP for formal verification, eliminating the need for cumbersome abstraction and error quantification procedures. We show that the BTGP allows us to construct an interval Markov chain model of the unknown system with a speedup that is polynomial w.r.t. the size of the abstraction compared to alternative approaches. We provide a delocalized error quantification via a unified formula even when the true dynamics do not live in the function space of the BTGP. This allows us to compute upper and lower bounds on the probability of satisfying reachability specifications that are robust to both aleatoric and epistemic uncertainties.
Cluster and Separate: a GNN Approach to Voice and Staff Prediction for Score Engraving
Authors: Francesco Foscarin, Emmanouil Karystinaios, Eita Nakamura, Gerhard Widmer
Date: 2024-07-15 00:00:00

This paper approaches the problem of separating the notes from a quantized symbolic music piece (e.g., a MIDI file) into multiple voices and staves. This is a fundamental part of the larger task of music score engraving (or score typesetting), which aims to produce readable musical scores for human performers. We focus on piano music and support homophonic voices, i.e., voices that can contain chords, and cross-staff voices, which are notably difficult tasks that have often been overlooked in previous research. We propose an end-to-end system based on graph neural networks that clusters notes that belong to the same chord and connects them with edges if they are part of a voice. Our results show clear and consistent improvements over a previous approach on two datasets of different styles. To aid the qualitative analysis of our results, we support the export in symbolic music formats and provide a direct visualization of our outputs graph over the musical score. All code and pre-trained models are available at https://github.com/CPJKU/piano_svsep
Watermarking Recommender Systems
Authors: Sixiao Zhang, Cheng Long, Wei Yuan, Hongxu Chen, Hongzhi Yin
Date: 2024-07-17 00:00:00
Tasks: Recommendation Systems

Recommender systems embody significant commercial value and represent crucial intellectual property. However, the integrity of these systems is constantly challenged by malicious actors seeking to steal their underlying models. Safeguarding against such threats is paramount to upholding the rights and interests of the model owner. While model watermarking has emerged as a potent defense mechanism in various domains, its direct application to recommender systems remains unexplored and non-trivial. In this paper, we address this gap by introducing Autoregressive Out-of-distribution Watermarking (AOW), a novel technique tailored specifically for recommender systems. Our approach entails selecting an initial item and querying it through the oracle model, followed by the selection of subsequent items with small prediction scores. This iterative process generates a watermark sequence autoregressively, which is then ingrained into the model's memory through training. To assess the efficacy of the watermark, the model is tasked with predicting the subsequent item given a truncated watermark sequence. Through extensive experimentation and analysis, we demonstrate the superior performance and robust properties of AOW. Notably, our watermarking technique exhibits high-confidence extraction capabilities and maintains effectiveness even in the face of distillation and fine-tuning processes.
Mapping Patient Trajectories: Understanding and Visualizing Sepsis Prognostic Pathways from Patients Clinical Narratives
Authors: Sudeshna Jana, Tirthankar Dasgupta, Lipika Dey
Date: 2024-07-20 00:00:00

In recent years, healthcare professionals are increasingly emphasizing on personalized and evidence-based patient care through the exploration of prognostic pathways. To study this, structured clinical variables from Electronic Health Records (EHRs) data have traditionally been employed by many researchers. Presently, Natural Language Processing models have received great attention in clinical research which expanded the possibilities of using clinical narratives. In this paper, we propose a systematic methodology for developing sepsis prognostic pathways derived from clinical notes, focusing on diverse patient subgroups identified by exploring comorbidities associated with sepsis and generating explanations of these subgroups using SHAP. The extracted prognostic pathways of these subgroups provide valuable insights into the dynamic trajectories of sepsis severity over time. Visualizing these pathways sheds light on the likelihood and direction of disease progression across various contexts and reveals patterns and pivotal factors or biomarkers influencing the transition between sepsis stages, whether toward deterioration or improvement. This empowers healthcare providers to implement more personalized and effective healthcare strategies for individual patients.
CP-Prompt: Composition-Based Cross-modal Prompting for Domain-Incremental Continual Learning
Authors: Yu Feng, Zhen Tian, Yifan Zhu, Zongfu Han, Haoran Luo, Guangwei Zhang, Meina Song
Date: 2024-07-22 00:00:00
Tasks: Continual Learning, Incremental Learning

The key challenge of cross-modal domain-incremental learning (DIL) is to enable the learning model to continuously learn from novel data with different feature distributions under the same task without forgetting old ones. However, existing top-performing methods still cause high forgetting rates, by lacking intra-domain knowledge extraction and inter-domain common prompting strategy. In this paper, we propose a simple yet effective framework, CP-Prompt, by training limited parameters to instruct a pre-trained model to learn new domains and avoid forgetting existing feature distributions. CP-Prompt captures intra-domain knowledge by compositionally inserting personalized prompts on multi-head self-attention layers and then learns the inter-domain knowledge with a common prompting strategy. CP-Prompt shows superiority compared with state-of-the-art baselines among three widely evaluated DIL tasks. The source code is available at https://github.com/dannis97500/CP_Prompt.
Promises and Pitfalls of Generative Masked Language Modeling: Theoretical Framework and Practical Guidelines
Authors: Yuchen Li, Alexandre Kirchmeyer, Aashay Mehta, Yilong Qin, Boris Dadachev, Kishore Papineni, Sanjiv Kumar, Andrej Risteski
Date: 2024-07-22 00:00:00
Tasks: Language Modeling, Language Modelling, Machine Translation, Masked Language Modeling, Text Generation

Autoregressive language models are the currently dominant paradigm for text generation, but they have some fundamental limitations that cannot be remedied by scale-for example inherently sequential and unidirectional generation. While alternate classes of models have been explored, we have limited mathematical understanding of their fundamental power and limitations. In this paper we focus on Generative Masked Language Models (GMLMs), a non-autoregressive paradigm in which we train a model to fit conditional probabilities of the data distribution via masking, which are subsequently used as inputs to a Markov Chain to draw samples from the model, These models empirically strike a promising speed-quality trade-off as each step can be typically parallelized by decoding the entire sequence in parallel. We develop a mathematical framework for analyzing and improving such models which sheds light on questions of sample complexity and inference speed and quality. Empirically, we adapt the T5 model for iteratively-refined parallel decoding, achieving 2-3x speedup in machine translation with minimal sacrifice in quality compared with autoregressive models. We run careful ablation experiments to give recommendations on key design choices, and make fine-grained observations on the common error modes in connection with our theory. Our mathematical analyses and empirical observations characterize both potentials and limitations of this approach, and can be applied to future works on improving understanding and performance of GMLMs. Our codes are released at https://github.com/google-research/google-research/tree/master/padir