pwc-archive/papers-with-abstracts huggingface dataset:
Inverse classification with logistic and softmax classifiers: efficient optimization
Authors: Miguel Á. Carreira-Perpiñán, Suryabhan Singh Hada
Date: 2023-09-16 00:00:00
Tasks: counterfactual, regression

In recent years, a certain type of problems have become of interest where one wants to query a trained classifier. Specifically, one wants to find the closest instance to a given input instance such that the classifier's predicted label is changed in a desired way. Examples of these ``inverse classification'' problems are counterfactual explanations, adversarial examples and model inversion. All of them are fundamentally optimization problems over the input instance vector involving a fixed classifier, and it is of interest to achieve a fast solution for interactive or real-time applications. We focus on solving this problem efficiently for two of the most widely used classifiers: logistic regression and softmax classifiers. Owing to special properties of these models, we show that the optimization can be solved in closed form for logistic regression, and iteratively but extremely fast for the softmax classifier. This allows us to solve either case exactly (to nearly machine precision) in a runtime of milliseconds to around a second even for very high-dimensional instances and many classes.
Fast Approximation of the Shapley Values Based on Order-of-Addition Experimental Designs
Authors: Liuqing Yang, Yongdao Zhou, Haoda Fu, Min-Qian Liu, Wei Zheng
Date: 2023-09-16 00:00:00
Tasks: Econometrics, Interpretable Machine Learning, Marketing

Shapley value is originally a concept in econometrics to fairly distribute both gains and costs to players in a coalition game. In the recent decades, its application has been extended to other areas such as marketing, engineering and machine learning. For example, it produces reasonable solutions for problems in sensitivity analysis, local model explanation towards the interpretable machine learning, node importance in social network, attribution models, etc. However, its heavy computational burden has been long recognized but rarely investigated. Specifically, in a $d$-player coalition game, calculating a Shapley value requires the evaluation of $d!$ or $2^d$ marginal contribution values, depending on whether we are taking the permutation or combination formulation of the Shapley value. Hence it becomes infeasible to calculate the Shapley value when $d$ is reasonably large. A common remedy is to take a random sample of the permutations to surrogate for the complete list of permutations. We find an advanced sampling scheme can be designed to yield much more accurate estimation of the Shapley value than the simple random sampling (SRS). Our sampling scheme is based on combinatorial structures in the field of design of experiments (DOE), particularly the order-of-addition experimental designs for the study of how the orderings of components would affect the output. We show that the obtained estimates are unbiased, and can sometimes deterministically recover the original Shapley value. Both theoretical and simulations results show that our DOE-based sampling scheme outperforms SRS in terms of estimation accuracy. Surprisingly, it is also slightly faster than SRS. Lastly, real data analysis is conducted for the C. elegans nervous system and the 9/11 terrorist network.
Efficient Methods for Non-stationary Online Learning
Authors: Peng Zhao, Yan-Feng Xie, Lijun Zhang, Zhi-Hua Zhou
Date: 2023-09-16 00:00:00

Non-stationary online learning has drawn much attention in recent years. In particular, dynamic regret and adaptive regret are proposed as two principled performance measures for online convex optimization in non-stationary environments. To optimize them, a two-layer online ensemble is usually deployed due to the inherent uncertainty of the non-stationarity, in which a group of base-learners are maintained and a meta-algorithm is employed to track the best one on the fly. However, the two-layer structure raises the concern about the computational complexity -- those methods typically maintain $\mathcal{O}(\log T)$ base-learners simultaneously for a $T$-round online game and thus perform multiple projections onto the feasible domain per round, which becomes the computational bottleneck when the domain is complicated. In this paper, we first present efficient methods for optimizing dynamic regret and adaptive regret, which reduce the number of projections per round from $\mathcal{O}(\log T)$ to $1$. The obtained algorithms require only one gradient query and one function evaluation at each round. Our technique hinges on the reduction mechanism developed in parameter-free online learning and requires non-trivial twists on non-stationary online methods. Furthermore, we study an even strengthened measure, namely the ``interval dynamic regret'', and reduce the number of projections per round from $\mathcal{O}(\log^2 T)$ to $1$ to minimize it. Our reduction demonstrates great generalizability and can be applied to two important applications: online stochastic control and online principal component analysis, resulting in methods that are both efficient and optimal. Finally, empirical studies verify our theoretical findings.
Robust Online Covariance and Sparse Precision Estimation Under Arbitrary Data Corruption
Authors: Tong Yao, Shreyas Sundaram
Date: 2023-09-16 00:00:00

Gaussian graphical models are widely used to represent correlations among entities but remain vulnerable to data corruption. In this work, we introduce a modified trimmed-inner-product algorithm to robustly estimate the covariance in an online scenario even in the presence of arbitrary and adversarial data attacks. At each time step, data points, drawn nominally independently and identically from a multivariate Gaussian distribution, arrive. However, a certain fraction of these points may have been arbitrarily corrupted. We propose an online algorithm to estimate the sparse inverse covariance (i.e., precision) matrix despite this corruption. We provide the error-bound and convergence properties of the estimates to the true precision matrix under our algorithms.
Rethinking Learning Rate Tuning in the Era of Large Language Models
Authors: Hongpeng Jin, Wenqi Wei, Xuyu Wang, Wenbin Zhang, Yanzhao Wu
Date: 2023-09-16 00:00:00

Large Language Models (LLMs) represent the recent success of deep learning in achieving remarkable human-like predictive performance. It has become a mainstream strategy to leverage fine-tuning to adapt LLMs for various real-world applications due to the prohibitive expenses associated with LLM training. The learning rate is one of the most important hyperparameters in LLM fine-tuning with direct impacts on both fine-tuning efficiency and fine-tuned LLM quality. Existing learning rate policies are primarily designed for training traditional deep neural networks (DNNs), which may not work well for LLM fine-tuning. We reassess the research challenges and opportunities of learning rate tuning in the coming era of Large Language Models. This paper makes three original contributions. First, we revisit existing learning rate policies to analyze the critical challenges of learning rate tuning in the era of LLMs. Second, we present LRBench++ to benchmark learning rate policies and facilitate learning rate tuning for both traditional DNNs and LLMs. Third, our experimental analysis with LRBench++ demonstrates the key differences between LLM fine-tuning and traditional DNN training and validates our analysis.
Intelligent machines work in unstructured environments by differential neuromorphic computing
Authors: Shengbo Wang, Shuo Gao, Chenyu Tang, Edoardo Occhipinti, Cong Li, Shurui Wang, Jiaqi Wang, Hubin Zhao, Guohua Hu, Arokia Nathan, Ravinder Dahiya, Luigi Occhipinti
Date: 2023-09-16 00:00:00
Tasks: Autonomous Driving, Decision Making

Efficient operation of intelligent machines in the real world requires methods that allow them to understand and predict the uncertainties presented by the unstructured environments with good accuracy, scalability and generalization, similar to humans. Current methods rely on pretrained networks instead of continuously learning from the dynamic signal properties of working environments and suffer inherent limitations, such as data-hungry procedures, and limited generalization capabilities. Herein, we present a memristor-based differential neuromorphic computing, perceptual signal processing and learning method for intelligent machines. The main features of environmental information such as amplification (>720%) and adaptation (<50%) of mechanical stimuli encoded in memristors, are extracted to obtain human-like processing in unstructured environments. The developed method takes advantage of the intrinsic multi-state property of memristors and exhibits good scalability and generalization, as confirmed by validation in two different application scenarios: object grasping and autonomous driving. In the former, a robot hand experimentally realizes safe and stable grasping through fast learning (in ~1 ms) the unknown object features (e.g., sharp corner and smooth surface) with a single memristor. In the latter, the decision-making information of 10 unstructured environments in autonomous driving (e.g., overtaking cars, pedestrians) is accurately (94%) extracted with a 40*25 memristor array. By mimicking the intrinsic nature of human low-level perception mechanisms, the electronic memristive neuromorphic circuit-based method, presented here shows the potential for adapting to diverse sensing technologies and helping intelligent machines generate smart high-level decisions in the real world.
BioinspiredLLM: Conversational Large Language Model for the Mechanics of Biological and Bio-inspired Materials
Authors: Rachel K. Luu, Markus J. Buehler
Date: 2023-09-15 00:00:00
Tasks: Articles, Language Modeling, Language Modelling, Large Language Model, Retrieval-augmented Generation

The study of biological materials and bio-inspired materials science is well established; however, surprisingly little knowledge has been systematically translated to engineering solutions. To accelerate discovery and guide insights, an open-source autoregressive transformer large language model (LLM), BioinspiredLLM, is reported. The model was finetuned with a corpus of over a thousand peer-reviewed articles in the field of structural biological and bio-inspired materials and can be prompted to recall information, assist with research tasks, and function as an engine for creativity. The model has proven that it is able to accurately recall information about biological materials and is further enhanced with enhanced reasoning ability, as well as with retrieval-augmented generation to incorporate new data during generation that can also help to traceback sources, update the knowledge base, and connect knowledge domains. BioinspiredLLM also has been shown to develop sound hypotheses regarding biological materials design and remarkably so for materials that have never been explicitly studied before. Lastly, the model showed impressive promise in collaborating with other generative artificial intelligence models in a workflow that can reshape the traditional materials design process. This collaborative generative artificial intelligence method can stimulate and enhance bio-inspired materials design workflows. Biological materials are at a critical intersection of multiple scientific fields and models like BioinspiredLLM help to connect knowledge domains.
Beyond Labels: Leveraging Deep Learning and LLMs for Content Metadata
Authors: Saurabh Agrawal, John Trenkle, Jaya Kawale
Date: 2023-09-15 00:00:00
Tasks: Deep Learning, Recommendation Systems

Content metadata plays a very important role in movie recommender systems as it provides valuable information about various aspects of a movie such as genre, cast, plot synopsis, box office summary, etc. Analyzing the metadata can help understand the user preferences to generate personalized recommendations and item cold starting. In this talk, we will focus on one particular type of metadata - \textit{genre} labels. Genre labels associated with a movie or a TV series help categorize a collection of titles into different themes and correspondingly setting up the audience expectation. We present some of the challenges associated with using genre label information and propose a new way of examining the genre information that we call as the \textit{Genre Spectrum}. The Genre Spectrum helps capture the various nuanced genres in a title and our offline and online experiments corroborate the effectiveness of the approach. Furthermore, we also talk about applications of LLMs in augmenting content metadata which could eventually be used to achieve effective organization of recommendations in user's 2-D home-grid.
Mining Patents with Large Language Models Elucidates the Chemical Function Landscape
Authors: Clayton W. Kosonocky, Claus O. Wilke, Edward M. Marcotte, Andrew D. Ellington
Date: 2023-09-15 00:00:00

The fundamental goal of small molecule discovery is to generate chemicals with target functionality. While this often proceeds through structure-based methods, we set out to investigate the practicality of orthogonal methods that leverage the extensive corpus of chemical literature. We hypothesize that a sufficiently large text-derived chemical function dataset would mirror the actual landscape of chemical functionality. Such a landscape would implicitly capture complex physical and biological interactions given that chemical function arises from both a molecule's structure and its interacting partners. To evaluate this hypothesis, we built a Chemical Function (CheF) dataset of patent-derived functional labels. This dataset, comprising 631K molecule-function pairs, was created using an LLM- and embedding-based method to obtain functional labels for approximately 100K molecules from their corresponding 188K unique patents. We carry out a series of analyses demonstrating that the CheF dataset contains a semantically coherent textual representation of the functional landscape congruent with chemical structural relationships, thus approximating the actual chemical function landscape. We then demonstrate that this text-based functional landscape can be leveraged to identify drugs with target functionality using a model able to predict functional profiles from structure alone. We believe that functional label-guided molecular discovery may serve as an orthogonal approach to traditional structure-based methods in the pursuit of designing novel functional molecules.
Circular Clustering with Polar Coordinate Reconstruction
Authors: Xiaoxiao Sun, Paul Sajda
Date: 2023-09-15 00:00:00
Tasks: Clustering

There is a growing interest in characterizing circular data found in biological systems. Such data are wide ranging and varied, from signal phase in neural recordings to nucleotide sequences in round genomes. Traditional clustering algorithms are often inadequate due to their limited ability to distinguish differences in the periodic component. Current clustering schemes that work in a polar coordinate system have limitations, such as being only angle-focused or lacking generality. To overcome these limitations, we propose a new analysis framework that utilizes projections onto a cylindrical coordinate system to better represent objects in a polar coordinate system. Using the mathematical properties of circular data, we show our approach always finds the correct clustering result within the reconstructed dataset, given sufficient periodic repetitions of the data. Our approach is generally applicable and adaptable and can be incorporated into most state-of-the-art clustering algorithms. We demonstrate on synthetic and real data that our method generates more appropriate and consistent clustering results compared to standard methods. In summary, our proposed analysis framework overcomes the limitations of existing polar coordinate-based clustering methods and provides a more accurate and efficient way to cluster circular data.
Diverse Audio Embeddings-- Bringing Features Back Outperforms CLAP !
Authors: Prateek Verma
Date: 2023-09-15 00:00:00
Tasks: Audio Classification

With the advent of modern AI architectures, a shift has happened towards end-to-end architectures. This pivot has led to neural architectures being trained without domain-specific biases/knowledge, optimized according to the task. We in this paper, learn audio embeddings via diverse feature representations, in this case, domain-specific. For the case of audio classification over hundreds of categories of sound, we learn robust separate embeddings for diverse audio properties such as pitch, timbre, and neural representation, along with also learning it via an end-to-end architecture. We observe handcrafted embeddings, e.g., pitch and timbre-based, although on their own, are not able to beat a fully end-to-end representation, yet adding these together with end-to-end embedding helps us, significantly improve performance. This work would pave the way to bring some domain expertise with end-to-end models to learn robust, diverse representations, surpassing the performance of just training end-to-end models.
Wasserstein Distributionally Robust Policy Evaluation and Learning for Contextual Bandits
Authors: Yi Shen, Pan Xu, Michael M. Zavlanos
Date: 2023-09-15 00:00:00
Tasks: Multi-Armed Bandits, Off-policy evaluation

Off-policy evaluation and learning are concerned with assessing a given policy and learning an optimal policy from offline data without direct interaction with the environment. Often, the environment in which the data are collected differs from the environment in which the learned policy is applied. To account for the effect of different environments during learning and execution, distributionally robust optimization (DRO) methods have been developed that compute worst-case bounds on the policy values assuming that the distribution of the new environment lies within an uncertainty set. Typically, this uncertainty set is defined based on the KL divergence around the empirical distribution computed from the logging dataset. However, the KL uncertainty set fails to encompass distributions with varying support and lacks awareness of the geometry of the distribution support. As a result, KL approaches fall short in addressing practical environment mismatches and lead to over-fitting to worst-case scenarios. To overcome these limitations, we propose a novel DRO approach that employs the Wasserstein distance instead. While Wasserstein DRO is generally computationally more expensive compared to KL DRO, we present a regularized method and a practical (biased) stochastic gradient descent method to optimize the policy efficiently. We also provide a theoretical analysis of the finite sample complexity and iteration complexity for our proposed method. We further validate our approach using a public dataset that was recorded in a randomized stoke trial.
Experimental Assessment of a Forward-Collision Warning System Fusing Deep Learning and Decentralized Radio Sensing
Authors: Jorge D. Cardenas, Omar Contreras-Ponce, Carlos A. Gutierrez, Ruth Aguilar-Ponce, Francisco R. Castillo-Soria, Cesar A. Azurdia-Meza
Date: 2023-09-15 00:00:00

This paper presents the idea of an automatic forward-collision warning system based on a decentralized radio sensing (RS) approach. In this framework, a vehicle in receiving mode employs a continuous waveform (CW) transmitted by a second vehicle as a probe signal to detect oncoming vehicles and warn the driver of a potential forward collision. Such a CW can easily be incorporated as a pilot signal within the data frame of current multicarrier vehicular communication systems. Detection of oncoming vehicles is performed by a deep learning (DL) module that analyzes the features of the Doppler signature imprinted on the CW probe signal by a rapidly approaching vehicle. This decentralized CW RS approach was assessed experimentally using data collected by a series of field trials conducted in a two-lanes high-speed highway. Detection performance was evaluated for two different DL models: a long short-term memory network and a convolutional neural network. The obtained results demonstrate the feasibility of the envisioned forward-collision warning system based on the fusion of DL and decentralized CW RS.
Pointing the Way: Refining Radar-Lidar Localization Using Learned ICP Weights
Authors: Daniil Lisus, Johann Laconte, Keenan Burnett, Ziyu Zhang, Timothy D. Barfoot
Date: 2023-09-15 00:00:00
Tasks: Autonomous Driving

This paper presents a novel deep-learning-based approach to improve localizing radar measurements against lidar maps. This radar-lidar localization leverages the benefits of both sensors; radar is resilient against adverse weather, while lidar produces high-quality maps in clear conditions. However, owing in part to the unique artefacts present in radar measurements, radar-lidar localization has struggled to achieve comparable performance to lidar-lidar systems, preventing it from being viable for autonomous driving. This work builds on ICP-based radar-lidar localization by including a learned preprocessing step that weights radar points based on high-level scan information. To train the weight-generating network, we present a novel, stand-alone, open-source differentiable ICP library. The learned weights facilitate ICP by filtering out harmful radar points related to artefacts, noise, and even vehicles on the road. Combining an analytical approach with a learned weight reduces overall localization errors and improves convergence in radar-lidar ICP results run on real-world autonomous driving data. Our code base is publicly available to facilitate reproducibility and extensions.
Clustered Multi-Agent Linear Bandits
Authors: Hamza Cherkaoui, Merwan Barlier, Igor Colin
Date: 2023-09-15 00:00:00
Tasks: Clustering

We address in this paper a particular instance of the multi-agent linear stochastic bandit problem, called clustered multi-agent linear bandits. In this setting, we propose a novel algorithm leveraging an efficient collaboration between the agents in order to accelerate the overall optimization problem. In this contribution, a network controller is responsible for estimating the underlying cluster structure of the network and optimizing the experiences sharing among agents within the same groups. We provide a theoretical analysis for both the regret minimization problem and the clustering quality. Through empirical evaluation against state-of-the-art algorithms on both synthetic and real data, we demonstrate the effectiveness of our approach: our algorithm significantly improves regret minimization while managing to recover the true underlying cluster partitioning.
Price of Safety in Linear Best Arm Identification
Authors: Xuedong Shang, Igor Colin, Merwan Barlier, Hamza Cherkaoui
Date: 2023-09-15 00:00:00

We introduce the safe best-arm identification framework with linear feedback, where the agent is subject to some stage-wise safety constraint that linearly depends on an unknown parameter vector. The agent must take actions in a conservative way so as to ensure that the safety constraint is not violated with high probability at each round. Ways of leveraging the linear structure for ensuring safety has been studied for regret minimization, but not for best-arm identification to the best our knowledge. We propose a gap-based algorithm that achieves meaningful sample complexity while ensuring the stage-wise safety. We show that we pay an extra term in the sample complexity due to the forced exploration phase incurred by the additional safety constraint. Experimental illustrations are provided to justify the design of our algorithm.