pwc-archive/papers-with-abstracts huggingface dataset:
PolyThrottle: Energy-efficient Neural Network Inference on Edge Devices
Authors: Minghao Yan, Hongyi Wang, Shivaram Venkataraman
Date: 2023-10-30 00:00:00
Tasks: Bayesian Optimization, CPU, Efficient Neural Network, GPU

As neural networks (NN) are deployed across diverse sectors, their energy demand correspondingly grows. While several prior works have focused on reducing energy consumption during training, the continuous operation of ML-powered systems leads to significant energy use during inference. This paper investigates how the configuration of on-device hardware-elements such as GPU, memory, and CPU frequency, often neglected in prior studies, affects energy consumption for NN inference with regular fine-tuning. We propose PolyThrottle, a solution that optimizes configurations across individual hardware components using Constrained Bayesian Optimization in an energy-conserving manner. Our empirical evaluation uncovers novel facets of the energy-performance equilibrium showing that we can save up to 36 percent of energy for popular models. We also validate that PolyThrottle can quickly converge towards near-optimal settings while satisfying application constraints.
Scaling Up Differentially Private LASSO Regularized Logistic Regression via Faster Frank-Wolfe Iterations
Date: 2023-10-30 00:00:00
Proceeding: NeurIPS 2023 11
Tasks: regression

To the best of our knowledge, there are no methods today for training differentially private regression models on sparse input data. To remedy this, we adapt the Frank-Wolfe algorithm for $L_1$ penalized linear regression to be aware of sparse inputs and to use them effectively. In doing so, we reduce the training time of the algorithm from $\mathcal{O}( T D S + T N S)$ to $\mathcal{O}(N S + T \sqrt{D} \log{D} + T S^2)$, where $T$ is the number of iterations and a sparsity rate $S$ of a dataset with $N$ rows and $D$ features. Our results demonstrate that this procedure can reduce runtime by a factor of up to $2,200\times$, depending on the value of the privacy parameter $\epsilon$ and the sparsity of the dataset.
Unified Enhancement of Privacy Bounds for Mixture Mechanisms via $f$-Differential Privacy
Date: 2023-10-30 00:00:00
Proceeding: NeurIPS 2023 11

Differentially private (DP) machine learning algorithms incur many sources of randomness, such as random initialization, random batch subsampling, and shuffling. However, such randomness is difficult to take into account when proving differential privacy bounds because it induces mixture distributions for the algorithm's output that are difficult to analyze. This paper focuses on improving privacy bounds for shuffling models and one-iteration differentially private gradient descent (DP-GD) with random initializations using $f$-DP. We derive a closed-form expression of the trade-off function for shuffling models that outperforms the most up-to-date results based on $(\epsilon,\delta)$-DP. Moreover, we investigate the effects of random initialization on the privacy of one-iteration DP-GD. Our numerical computations of the trade-off function indicate that random initialization can enhance the privacy of DP-GD. Our analysis of $f$-DP guarantees for these mixture mechanisms relies on an inequality for trade-off functions introduced in this paper. This inequality implies the joint convexity of $F$-divergences. Finally, we study an $f$-DP analog of the advanced joint convexity of the hockey-stick divergence related to $(\epsilon,\delta)$-DP and apply it to analyze the privacy of mixture mechanisms.
Early detection of inflammatory arthritis to improve referrals using multimodal machine learning from blood testing, semi-structured and unstructured patient records
Authors: Bing Wang, Weizi Li, Anthony Bradlow, Antoni T. Y. Chan, Eghosa Bazuaye
Date: 2023-10-30 00:00:00
Tasks: Conformal Prediction, Decision Making, Ensemble Learning

Early detection of inflammatory arthritis (IA) is critical to efficient and accurate hospital referral triage for timely treatment and preventing the deterioration of the IA disease course, especially under limited healthcare resources. The manual assessment process is the most common approach in practice for the early detection of IA, but it is extremely labor-intensive and inefficient. A large amount of clinical information needs to be assessed for every referral from General Practice (GP) to the hospitals. Machine learning shows great potential in automating repetitive assessment tasks and providing decision support for the early detection of IA. However, most machine learning-based methods for IA detection rely on blood testing results. But in practice, blood testing data is not always available at the point of referrals, so we need methods to leverage multimodal data such as semi-structured and unstructured data for early detection of IA. In this research, we present fusion and ensemble learning-based methods using multimodal data to assist decision-making in the early detection of IA, and a conformal prediction-based method to quantify the uncertainty of the prediction and detect any unreliable predictions. To the best of our knowledge, our study is the first attempt to utilize multimodal data to support the early detection of IA from GP referrals.
Topological Learning for Motion Data via Mixed Coordinates
Authors: Hengrui Luo, Jisu Kim, Alice Patania, Mikael Vejdemo-Johansson
Date: 2023-10-30 00:00:00
Tasks: Time Series, Transfer Learning

Topology can extract the structural information in a dataset efficiently. In this paper, we attempt to incorporate topological information into a multiple output Gaussian process model for transfer learning purposes. To achieve this goal, we extend the framework of circular coordinates into a novel framework of mixed valued coordinates to take linear trends in the time series into consideration. One of the major challenges to learn from multiple time series effectively via a multiple output Gaussian process model is constructing a functional kernel. We propose to use topologically induced clustering to construct a cluster based kernel in a multiple output Gaussian process model. This kernel not only incorporates the topological structural information, but also allows us to put forward a unified framework using topological information in time and motion series.
PriPrune: Quantifying and Preserving Privacy in Pruned Federated Learning
Authors: Tianyue Chu, Mengwei Yang, Nikolaos Laoutaris, Athina Markopoulou
Date: 2023-10-30 00:00:00
Tasks: Federated Learning

Federated learning (FL) is a paradigm that allows several client devices and a server to collaboratively train a global model, by exchanging only model updates, without the devices sharing their local training data. These devices are often constrained in terms of communication and computation resources, and can further benefit from model pruning -- a paradigm that is widely used to reduce the size and complexity of models. Intuitively, by making local models coarser, pruning is expected to also provide some protection against privacy attacks in the context of FL. However this protection has not been previously characterized, formally or experimentally, and it is unclear if it is sufficient against state-of-the-art attacks. In this paper, we perform the first investigation of privacy guarantees for model pruning in FL. We derive information-theoretic upper bounds on the amount of information leaked by pruned FL models. We complement and validate these theoretical findings, with comprehensive experiments that involve state-of-the-art privacy attacks, on several state-of-the-art FL pruning schemes, using benchmark datasets. This evaluation provides valuable insights into the choices and parameters that can affect the privacy protection provided by pruning. Based on these insights, we introduce PriPrune -- a privacy-aware algorithm for local model pruning, which uses a personalized per-client defense mask and adapts the defense pruning rate so as to jointly optimize privacy and model performance. PriPrune is universal in that can be applied after any pruned FL scheme on the client, without modification, and protects against any inversion attack by the server. Our empirical evaluation demonstrates that PriPrune significantly improves the privacy-accuracy tradeoff compared to state-of-the-art pruned FL schemes that do not take privacy into account.
The Acquisition of Physical Knowledge in Generative Neural Networks
Authors: Luca M. Schulze Buschoff, Eric Schulz, Marcel Binz
Date: 2023-10-30 00:00:00
Tasks: Stochastic Optimization

As children grow older, they develop an intuitive understanding of the physical processes around them. Their physical understanding develops in stages, moving along developmental trajectories which have been mapped out extensively in previous empirical research. Here, we investigate how the learning trajectories of deep generative neural networks compare to children's developmental trajectories using physical understanding as a testbed. We outline an approach that allows us to examine two distinct hypotheses of human development - stochastic optimization and complexity increase. We find that while our models are able to accurately predict a number of physical processes, their learning trajectories under both hypotheses do not follow the developmental trajectories of children.
Split-NER: Named Entity Recognition via Two Question-Answering-based Classifications
Authors: Jatin Arora, Youngja Park
Date: 2023-10-30 00:00:00
Tasks: named-entity-recognition, Named Entity Recognition, NER, Question Answering

In this work, we address the NER problem by splitting it into two logical sub-tasks: (1) Span Detection which simply extracts entity mention spans irrespective of entity type; (2) Span Classification which classifies the spans into their entity types. Further, we formulate both sub-tasks as question-answering (QA) problems and produce two leaner models which can be optimized separately for each sub-task. Experiments with four cross-domain datasets demonstrate that this two-step approach is both effective and time efficient. Our system, SplitNER outperforms baselines on OntoNotes5.0, WNUT17 and a cybersecurity dataset and gives on-par performance on BioNLP13CG. In all cases, it achieves a significant reduction in training time compared to its QA baseline counterpart. The effectiveness of our system stems from fine-tuning the BERT model twice, separately for span detection and classification. The source code can be found at https://github.com/c3sr/split-ner.
Lyapunov-Based Dropout Deep Neural Network (Lb-DDNN) Controller
Authors: Saiedeh Akbari, Emily J. Griffis, Omkar Sudhir Patil, Warren E. Dixon
Date: 2023-10-30 00:00:00

Deep neural network (DNN)-based adaptive controllers can be used to compensate for unstructured uncertainties in nonlinear dynamic systems. However, DNNs are also very susceptible to overfitting and co-adaptation. Dropout regularization is an approach where nodes are randomly dropped during training to alleviate issues such as overfitting and co-adaptation. In this paper, a dropout DNN-based adaptive controller is developed. The developed dropout technique allows the deactivation of weights that are stochastically selected for each individual layer within the DNN. Simultaneously, a Lyapunov-based real-time weight adaptation law is introduced to update the weights of all layers of the DNN for online unsupervised learning. A non-smooth Lyapunov-based stability analysis is performed to ensure asymptotic convergence of the tracking error. Simulation results of the developed dropout DNN-based adaptive controller indicate a 38.32% improvement in the tracking error, a 53.67% improvement in the function approximation error, and 50.44% lower control effort when compared to a baseline adaptive DNN-based controller without dropout regularization.
Sim2Real for Environmental Neural Processes
Authors: Jonas Scholz, Tom R. Andersson, Anna Vaughan, James Requeima, Richard E. Turner
Date: 2023-10-30 00:00:00

Machine learning (ML)-based weather models have recently undergone rapid improvements. These models are typically trained on gridded reanalysis data from numerical data assimilation systems. However, reanalysis data comes with limitations, such as assumptions about physical laws and low spatiotemporal resolution. The gap between reanalysis and reality has sparked growing interest in training ML models directly on observations such as weather stations. Modelling scattered and sparse environmental observations requires scalable and flexible ML architectures, one of which is the convolutional conditional neural process (ConvCNP). ConvCNPs can learn to condition on both gridded and off-the-grid context data to make uncertainty-aware predictions at target locations. However, the sparsity of real observations presents a challenge for data-hungry deep learning models like the ConvCNP. One potential solution is 'Sim2Real': pre-training on reanalysis and fine-tuning on observational data. We analyse Sim2Real with a ConvCNP trained to interpolate surface air temperature over Germany, using varying numbers of weather stations for fine-tuning. On held-out weather stations, Sim2Real training substantially outperforms the same model architecture trained only with reanalysis data or only with station data, showing that reanalysis data can serve as a stepping stone for learning from real observations. Sim2Real could thus enable more accurate models for weather prediction and climate monitoring.
Solving a Class of Cut-Generating Linear Programs via Machine Learning
Authors: Atefeh Rajabalizadeh, Danial Davarnia
Date: 2023-10-30 00:00:00
Tasks: Classification

Cut-generating linear programs (CGLPs) play a key role as a separation oracle to produce valid inequalities for the feasible region of mixed-integer programs. When incorporated inside branch-and-bound, the cutting planes obtained from CGLPs help to tighten relaxations and improve dual bounds. However, running the CGLPs at the nodes of the branch-and-bound tree is computationally cumbersome due to the large number of node candidates and the lack of a priori knowledge on which nodes admit useful cutting planes. As a result, CGLPs are often avoided at default settings of branch-and-cut algorithms despite their potential impact on improving dual bounds. In this paper, we propose a novel framework based on machine learning to approximate the optimal value of a CGLP class that determines whether a cutting plane can be generated at a node of the branch-and-bound tree. Translating the CGLP as an indicator function of the objective function vector, we show that it can be approximated through conventional data classification techniques. We provide a systematic procedure to efficiently generate training data sets for the corresponding classification problem based on the CGLP structure. We conduct computational experiments on benchmark instances using classification methods such as logistic regression. These results suggest that the approximate CGLP obtained from classification can improve the solution time compared to that of conventional cutting plane methods. Our proposed framework can be efficiently applied to a large number of nodes in the branch-and-bound tree to identify the best candidates for adding a cut.
Meta-Learning Strategies through Value Maximization in Neural Networks
Authors: Rodrigo Carrasco-Davis, Javier Masís, Andrew M. Saxe
Date: 2023-10-30 00:00:00
Tasks: Continual Learning, Meta-Learning

Biological and artificial learning agents face numerous choices about how to learn, ranging from hyperparameter selection to aspects of task distributions like curricula. Understanding how to make these meta-learning choices could offer normative accounts of cognitive control functions in biological learners and improve engineered systems. Yet optimal strategies remain challenging to compute in modern deep networks due to the complexity of optimizing through the entire learning process. Here we theoretically investigate optimal strategies in a tractable setting. We present a learning effort framework capable of efficiently optimizing control signals on a fully normative objective: discounted cumulative performance throughout learning. We obtain computational tractability by using average dynamical equations for gradient descent, available for simple neural network architectures. Our framework accommodates a range of meta-learning and automatic curriculum learning methods in a unified normative setting. We apply this framework to investigate the effect of approximations in common meta-learning algorithms; infer aspects of optimal curricula; and compute optimal neuronal resource allocation in a continual learning setting. Across settings, we find that control effort is most beneficial when applied to easier aspects of a task early in learning; followed by sustained effort on harder aspects. Overall, the learning effort framework provides a tractable theoretical test bed to study normative benefits of interventions in a variety of learning systems, as well as a formal account of optimal cognitive control strategies over learning trajectories posited by established theories in cognitive neuroscience.
GPCR-BERT: Interpreting Sequential Design of G Protein Coupled Receptors Using Protein Language Models
Authors: Seongwon Kim, Parisa Mollaei, Akshay Antony, Rishikesh Magar, Amir Barati Farimani
Date: 2023-10-30 00:00:00

With the rise of Transformers and Large Language Models (LLMs) in Chemistry and Biology, new avenues for the design and understanding of therapeutics have opened up to the scientific community. Protein sequences can be modeled as language and can take advantage of recent advances in LLMs, specifically with the abundance of our access to the protein sequence datasets. In this paper, we developed the GPCR-BERT model for understanding the sequential design of G Protein-Coupled Receptors (GPCRs). GPCRs are the target of over one-third of FDA-approved pharmaceuticals. However, there is a lack of comprehensive understanding regarding the relationship between amino acid sequence, ligand selectivity, and conformational motifs (such as NPxxY, CWxP, E/DRY). By utilizing the pre-trained protein model (Prot-Bert) and fine-tuning with prediction tasks of variations in the motifs, we were able to shed light on several relationships between residues in the binding pocket and some of the conserved motifs. To achieve this, we took advantage of attention weights, and hidden states of the model that are interpreted to extract the extent of contributions of amino acids in dictating the type of masked ones. The fine-tuned models demonstrated high accuracy in predicting hidden residues within the motifs. In addition, the analysis of embedding was performed over 3D structures to elucidate the higher-order interactions within the conformations of the receptors.
Bayesian Simulation-based Inference for Cosmological Initial Conditions
Authors: Florian List, Noemi Anau Montel, Christoph Weniger
Date: 2023-10-30 00:00:00

Reconstructing astrophysical and cosmological fields from observations is challenging. It requires accounting for non-linear transformations, mixing of spatial structure, and noise. In contrast, forward simulators that map fields to observations are readily available for many applications. We present a versatile Bayesian field reconstruction algorithm rooted in simulation-based inference and enhanced by autoregressive modeling. The proposed technique is applicable to generic (non-differentiable) forward simulators and allows sampling from the posterior for the underlying field. We show first promising results on a proof-of-concept application: the recovery of cosmological initial conditions from late-time density fields.
BTRec: BERT-Based Trajectory Recommendation for Personalized Tours
Authors: Ngai Lam Ho, Roy Ka-Wei Lee, Kwan Hui Lim
Date: 2023-10-30 00:00:00
Tasks: Language Modelling, Sentence, Sentence Completion

An essential task for tourists having a pleasant holiday is to have a well-planned itinerary with relevant recommendations, especially when visiting unfamiliar cities. Many tour recommendation tools only take into account a limited number of factors, such as popular Points of Interest (POIs) and routing constraints. Consequently, the solutions they provide may not always align with the individual users of the system. We propose an iterative algorithm in this paper, namely: BTREC (BERT-based Trajectory Recommendation), that extends from the POIBERT embedding algorithm to recommend personalized itineraries on POIs using the BERT framework. Our BTREC algorithm incorporates users' demographic information alongside past POI visits into a modified BERT language model to recommend a personalized POI itinerary prediction given a pair of source and destination POIs. Our recommendation system can create a travel itinerary that maximizes POIs visited, while also taking into account user preferences for categories of POIs and time availability. Our recommendation algorithm is largely inspired by the problem of sentence completion in natural language processing (NLP). Using a dataset of eight cities of different sizes, our experimental results demonstrate that our proposed algorithm is stable and outperforms many other sequence prediction algorithms, measured by recall, precision, and F1-scores.
Learning quantum states and unitaries of bounded gate complexity
Authors: Haimeng Zhao, Laura Lewis, Ishaan Kannan, Yihui Quek, Hsin-Yuan Huang, Matthias C. Caro
Date: 2023-10-30 00:00:00
Tasks: Quantum Machine Learning, Quantum State Tomography

While quantum state tomography is notoriously hard, most states hold little interest to practically-minded tomographers. Given that states and unitaries appearing in Nature are of bounded gate complexity, it is natural to ask if efficient learning becomes possible. In this work, we prove that to learn a state generated by a quantum circuit with $G$ two-qubit gates to a small trace distance, a sample complexity scaling linearly in $G$ is necessary and sufficient. We also prove that the optimal query complexity to learn a unitary generated by $G$ gates to a small average-case error scales linearly in $G$. While sample-efficient learning can be achieved, we show that under reasonable cryptographic conjectures, the computational complexity for learning states and unitaries of gate complexity $G$ must scale exponentially in $G$. We illustrate how these results establish fundamental limitations on the expressivity of quantum machine learning models and provide new perspectives on no-free-lunch theorems in unitary learning. Together, our results answer how the complexity of learning quantum states and unitaries relate to the complexity of creating these states and unitaries.
Metric Flows with Neural Networks
Authors: James Halverson, Fabian Ruehle
Date: 2023-10-30 00:00:00

We develop a general theory of flows in the space of Riemannian metrics induced by neural network gradient descent. This is motivated in part by recent advances in approximating Calabi-Yau metrics with neural networks and is enabled by recent advances in understanding flows in the space of neural networks. We derive the corresponding metric flow equations, which are governed by a metric neural tangent kernel, a complicated, non-local object that evolves in time. However, many architectures admit an infinite-width limit in which the kernel becomes fixed and the dynamics simplify. Additional assumptions can induce locality in the flow, which allows for the realization of Perelman's formulation of Ricci flow that was used to resolve the 3d Poincar\'e conjecture. We demonstrate that such fixed kernel regimes lead to poor learning of numerical Calabi-Yau metrics, as is expected since the associated neural networks do not learn features. Conversely, we demonstrate that well-learned numerical metrics at finite-width exhibit an evolving metric-NTK, associated with feature learning. Our theory of neural network metric flows therefore explains why neural networks are better at learning Calabi-Yau metrics than fixed kernel methods, such as the Ricci flow.