pwc-archive/papers-with-abstracts huggingface dataset:
Prompting-based Temporal Domain Generalization
Authors: Sepidehsadat Hosseini, Mengyao Zhai, Hossein Hajimirsadegh, Frederick Tung
Date: 2023-10-03 00:00:00
Tasks: Domain Generalization, Time Series, Time Series Forecasting

Machine learning traditionally assumes that the training and testing data are distributed independently and identically. However, in many real-world settings, the data distribution can shift over time, leading to poor generalization of trained models in future time periods. This paper presents a novel prompting-based approach to temporal domain generalization that is parameter-efficient, time-efficient, and does not require access to future data during training. Our method adapts a trained model to temporal drift by learning global prompts, domain-specific prompts, and drift-aware prompts that capture underlying temporal dynamics. Experiments on classification, regression, and time series forecasting tasks demonstrate the generality of the proposed approach. The code repository will be publicly shared.
Distributionally Safe Reinforcement Learning under Model Uncertainty: A Single-Level Approach by Differentiable Convex Programming
Authors: Alaa Eddine Chriat, Chuangchuang Sun
Date: 2023-10-03 00:00:00
Tasks: Safe Reinforcement Learning

Safety assurance is uncompromisable for safety-critical environments with the presence of drastic model uncertainties (e.g., distributional shift), especially with humans in the loop. However, incorporating uncertainty in safe learning will naturally lead to a bi-level problem, where at the lower level the (worst-case) safety constraint is evaluated within the uncertainty ambiguity set. In this paper, we present a tractable distributionally safe reinforcement learning framework to enforce safety under a distributional shift measured by a Wasserstein metric. To improve the tractability, we first use duality theory to transform the lower-level optimization from infinite-dimensional probability space where distributional shift is measured, to a finite-dimensional parametric space. Moreover, by differentiable convex programming, the bi-level safe learning problem is further reduced to a single-level one with two sequential computationally efficient modules: a convex quadratic program to guarantee safety followed by a projected gradient ascent to simultaneously find the worst-case uncertainty. This end-to-end differentiable framework with safety constraints, to the best of our knowledge, is the first tractable single-level solution to address distributional safety. We test our approach on first and second-order systems with varying complexities and compare our results with the uncertainty-agnostic policies, where our approach demonstrates a significant improvement on safety guarantees.
Dual-stage Flows-based Generative Modeling for Traceable Urban Planning
Authors: Xuanming Hu, Wei Fan, Dongjie Wang, Pengyang Wang, Yong Li, Yanjie Fu
Date: 2023-10-03 00:00:00

Urban planning, which aims to design feasible land-use configurations for target areas, has become increasingly essential due to the high-speed urbanization process in the modern era. However, the traditional urban planning conducted by human designers can be a complex and onerous task. Thanks to the advancement of deep learning algorithms, researchers have started to develop automated planning techniques. While these models have exhibited promising results, they still grapple with a couple of unresolved limitations: 1) Ignoring the relationship between urban functional zones and configurations and failing to capture the relationship among different functional zones. 2) Less interpretable and stable generation process. To overcome these limitations, we propose a novel generative framework based on normalizing flows, namely Dual-stage Urban Flows (DSUF) framework. Specifically, the first stage is to utilize zone-level urban planning flows to generate urban functional zones based on given surrounding contexts and human guidance. Then we employ an Information Fusion Module to capture the relationship among functional zones and fuse the information of different aspects. The second stage is to use configuration-level urban planning flows to obtain land-use configurations derived from fused information. We design several experiments to indicate that our framework can outperform compared to other generative models for the urban planning task.
Feather: An Elegant Solution to Effective DNN Sparsification
Authors: Athanasios Glentis Georgoulakis, George Retsinas, Petros Maragos
Date: 2023-10-03 00:00:00
Tasks: Network Pruning

Neural Network pruning is an increasingly popular way for producing compact and efficient models, suitable for resource-limited environments, while preserving high performance. While the pruning can be performed using a multi-cycle training and fine-tuning process, the recent trend is to encompass the sparsification process during the standard course of training. To this end, we introduce Feather, an efficient sparse training module utilizing the powerful Straight-Through Estimator as its core, coupled with a new thresholding operator and a gradient scaling technique, enabling robust, out-of-the-box sparsification performance. Feather's effectiveness and adaptability is demonstrated using various architectures on the CIFAR dataset, while on ImageNet it achieves state-of-the-art Top-1 validation accuracy using the ResNet-50 architecture, surpassing existing methods, including more complex and computationally heavy ones, by a considerable margin. Code is publicly available at https://github.com/athglentis/feather .
Machine learning assist nyc subway navigation safer and faster
Authors: Wencheng Bao, Shi Feng
Date: 2023-10-03 00:00:00

Mainstream navigation software, like Google and Apple Maps, often lacks the ability to provide routes prioritizing safety. However, safety remains a paramount concern for many. Our aim is to strike a balance between safety and efficiency. To achieve this, we're devising an Integer Programming model that takes into account both the shortest path and the safest route. We will harness machine learning to derive safety coefficients, employing methodologies such as generalized linear models, linear regression, and recurrent neural networks. Our evaluation will be based on the Root Mean Square Error (RMSE) across various subway stations, helping us identify the most accurate model for safety coefficient estimation. Furthermore, we'll conduct a comprehensive review of different shortest-path algorithms, assessing them based on time complexity and real-world data to determine their appropriateness in merging both safety and time efficiency.
GenCO: Generating Diverse Designs with Combinatorial Constraints
Authors: Aaron Ferber, Arman Zharmagambetov, Taoan Huang, Bistra Dilkina, Yuandong Tian
Date: 2023-10-03 00:00:00
Tasks: Combinatorial Optimization, Image Generation

Deep generative models like GAN and VAE have shown impressive results in generating unconstrained objects like images. However, many design settings arising in industrial design, material science, computer graphics and more require that the generated objects satisfy hard combinatorial constraints or meet objectives in addition to modeling a data distribution. To address this, we propose GenCO, a generative framework that guarantees constraint satisfaction throughout training by leveraging differentiable combinatorial solvers to enforce feasibility. GenCO imposes the generative loss on provably feasible solutions rather than intermediate soft solutions, meaning that the deep generative network can focus on ensuring the generated objects match the data distribution without having to also capture feasibility. This shift enables practitioners to enforce hard constraints on the generated outputs during end-to-end training, enabling assessments of their feasibility and introducing additional combinatorial loss components to deep generative training. We demonstrate the effectiveness of our approach on a variety of generative combinatorial tasks, including game level generation, map creation for path planning, and photonic device design, consistently demonstrating its capability to yield diverse, high-quality solutions that verifiably adhere to user-specified combinatorial properties.
EGraFFBench: Evaluation of Equivariant Graph Neural Network Force Fields for Atomistic Simulations
Authors: Vaibhav Bihani, Utkarsh Pratiush, Sajid Mannan, Tao Du, Zhimin Chen, Santiago Miret, Matthieu Micoulaut, Morten M Smedskjaer, Sayan Ranu, N M Anoop Krishnan
Date: 2023-10-03 00:00:00
Tasks: Atomic Forces, Benchmarking, Formation Energy, Graph Neural Network

Equivariant graph neural networks force fields (EGraFFs) have shown great promise in modelling complex interactions in atomic systems by exploiting the graphs' inherent symmetries. Recent works have led to a surge in the development of novel architectures that incorporate equivariance-based inductive biases alongside architectural innovations like graph transformers and message passing to model atomic interactions. However, thorough evaluations of these deploying EGraFFs for the downstream task of real-world atomistic simulations, is lacking. To this end, here we perform a systematic benchmarking of 6 EGraFF algorithms (NequIP, Allegro, BOTNet, MACE, Equiformer, TorchMDNet), with the aim of understanding their capabilities and limitations for realistic atomistic simulations. In addition to our thorough evaluation and analysis on eight existing datasets based on the benchmarking literature, we release two new benchmark datasets, propose four new metrics, and three challenging tasks. The new datasets and tasks evaluate the performance of EGraFF to out-of-distribution data, in terms of different crystal structures, temperatures, and new molecules. Interestingly, evaluation of the EGraFF models based on dynamic simulations reveals that having a lower error on energy or force does not guarantee stable or reliable simulation or faithful replication of the atomic structures. Moreover, we find that no model clearly outperforms other models on all datasets and tasks. Importantly, we show that the performance of all the models on out-of-distribution datasets is unreliable, pointing to the need for the development of a foundation model for force fields that can be used in real-world simulations. In summary, this work establishes a rigorous framework for evaluating machine learning force fields in the context of atomic simulations and points to open research challenges within this domain.
Delta-AI: Local objectives for amortized inference in sparse graphical models
Authors: Jean-Pierre Falet, Hae Beom Lee, Nikolay Malkin, Chen Sun, Dragos Secrieru, Thomas Jiralerspong, Dinghuai Zhang, Guillaume Lajoie, Yoshua Bengio
Date: 2023-10-03 00:00:00

We present a new algorithm for amortized inference in sparse probabilistic graphical models (PGMs), which we call $\Delta$-amortized inference ($\Delta$-AI). Our approach is based on the observation that when the sampling of variables in a PGM is seen as a sequence of actions taken by an agent, sparsity of the PGM enables local credit assignment in the agent's policy learning objective. This yields a local constraint that can be turned into a local loss in the style of generative flow networks (GFlowNets) that enables off-policy training but avoids the need to instantiate all the random variables for each parameter update, thus speeding up training considerably. The $\Delta$-AI objective matches the conditional distribution of a variable given its Markov blanket in a tractable learned sampler, which has the structure of a Bayesian network, with the same conditional distribution under the target PGM. As such, the trained sampler recovers marginals and conditional distributions of interest and enables inference of partial subsets of variables. We illustrate $\Delta$-AI's effectiveness for sampling from synthetic PGMs and training latent variable models with sparse factor structure.
Bag of Tricks for Fully Test-Time Adaptation
Authors: Saypraseuth Mounsaveng, Florent Chiaroni, Malik Boudiaf, Marco Pedersoli, Ismail Ben Ayed
Date: 2023-10-03 00:00:00
Tasks: Test-time Adaptation

Fully Test-Time Adaptation (TTA), which aims at adapting models to data drifts, has recently attracted wide interest. Numerous tricks and techniques have been proposed to ensure robust learning on arbitrary streams of unlabeled data. However, assessing the true impact of each individual technique and obtaining a fair comparison still constitutes a significant challenge. To help consolidate the community's knowledge, we present a categorization of selected orthogonal TTA techniques, including small batch normalization, stream rebalancing, reliable sample selection, and network confidence calibration. We meticulously dissect the effect of each approach on different scenarios of interest. Through our analysis, we shed light on trade-offs induced by those techniques between accuracy, the computational power required, and model complexity. We also uncover the synergy that arises when combining techniques and are able to establish new state-of-the-art results.
Mixture of Quantized Experts (MoQE): Complementary Effect of Low-bit Quantization and Robustness
Authors: Young Jin Kim, Raffy Fahim, Hany Hassan Awadalla
Date: 2023-10-03 00:00:00
Tasks: GPU, Machine Translation, Mixture-of-Experts, Quantization

Large Mixture of Experts (MoE) models could achieve state-of-the-art quality on various language tasks, including machine translation task, thanks to the efficient model scaling capability with expert parallelism. However, it has brought a fundamental issue of larger memory consumption and increased memory bandwidth bottleneck at deployment time. In this paper, we propose Mixture of Quantized Experts (MoQE) which is a simple weight-only quantization method applying ultra low-bit down to 2-bit quantizations only to expert weights for mitigating the increased memory and latency issues of MoE models. We show that low-bit quantization together with the MoE architecture delivers a reliable model performance while reducing the memory size significantly even without any additional training in most cases. In particular, expert layers in MoE models are much more robust to the quantization than conventional feedforward networks (FFN) layers. In our comprehensive analysis, we show that MoE models with 2-bit expert weights can deliver better model performance than the dense model trained on the same dataset. As a result of low-bit quantization, we show the model size can be reduced by 79.6% of the original half precision floating point (fp16) MoE model. Combined with an optimized GPU runtime implementation, it also achieves 1.24X speed-up on A100 GPUs.
Automated Bug Generation in the era of Large Language Models
Authors: Ali Reza Ibrahimzada, Yang Chen, Ryan Rong, Reyhaneh Jabbarvand
Date: 2023-10-03 00:00:00
Tasks: Program Repair

Bugs are essential in software engineering; many research studies in the past decades have been proposed to detect, localize, and repair bugs in software systems. Effectiveness evaluation of such techniques requires complex bugs, i.e., those that are hard to detect through testing and hard to repair through debugging. From the classic software engineering point of view, a hard-to-repair bug differs from the correct code in multiple locations, making it hard to localize and repair. Hard-to-detect bugs, on the other hand, manifest themselves under specific test inputs and reachability conditions. These two objectives, i.e., generating hard-to-detect and hard-to-repair bugs, are mostly aligned; a bug generation technique can change multiple statements to be covered only under a specific set of inputs. However, these two objectives are conflicting for learning-based techniques: A bug should have a similar code representation to the correct code in the training data to challenge a bug prediction model to distinguish them. The hard-to-repair bug definition remains the same but with a caveat: the more a bug differs from the original code, the more distant their representations are and easier to be detected. We propose BugFarm, to transform arbitrary code into multiple complex bugs. BugFarm leverages LLMs to mutate code in multiple locations (hard-to-repair). To ensure that multiple modifications do not notably change the code representation, BugFarm analyzes the attention of the underlying model and instructs LLMs to only change the least attended locations (hard-to-detect). Our comprehensive evaluation of 435k+ bugs from over 1.9M mutants generated by BUGFARM and two alternative approaches demonstrates our superiority in generating bugs that are hard to detect by learning-based bug prediction approaches and hard-to-repair by state-of-the-art learning-based program repair technique.
On the Parallel Complexity of Multilevel Monte Carlo in Stochastic Gradient Descent
Authors: Kei Ishikawa
Date: 2023-10-03 00:00:00

In the stochastic gradient descent (SGD) for sequential simulations such as the neural stochastic differential equations, the Multilevel Monte Carlo (MLMC) method is known to offer better theoretical computational complexity compared to the naive Monte Carlo approach. However, in practice, MLMC scales poorly on massively parallel computing platforms such as modern GPUs, because of its large parallel complexity which is equivalent to that of the naive Monte Carlo method. To cope with this issue, we propose the delayed MLMC gradient estimator that drastically reduces the parallel complexity of MLMC by recycling previously computed gradient components from earlier steps of SGD. The proposed estimator provably reduces the average parallel complexity per iteration at the cost of a slightly worse per-iteration convergence rate. In our numerical experiments, we use an example of deep hedging to demonstrate the superior parallel complexity of our method compared to the standard MLMC in SGD.
Reducing Intraspecies and Interspecies Covariate Shift in Traumatic Brain Injury EEG of Humans and Mice Using Transfer Euclidean Alignment
Authors: Manoj Vishwanath, Steven Cao, Nikil Dutt, Amir M. Rahmani, Miranda M. Lim, Hung Cao
Date: 2023-10-03 00:00:00
Tasks: Binary Classification, Deep Learning, EEG, Transfer Learning

While analytics of sleep electroencephalography (EEG) holds certain advantages over other methods in clinical applications, high variability across subjects poses a significant challenge when it comes to deploying machine learning models for classification tasks in the real world. In such instances, machine learning models that exhibit exceptional performance on a specific dataset may not necessarily demonstrate similar proficiency when applied to a distinct dataset for the same task. The scarcity of high-quality biomedical data further compounds this challenge, making it difficult to evaluate the model's generality comprehensively. In this paper, we introduce Transfer Euclidean Alignment - a transfer learning technique to tackle the problem of the dearth of human biomedical data for training deep learning models. We tested the robustness of this transfer learning technique on various rule-based classical machine learning models as well as the EEGNet-based deep learning model by evaluating on different datasets, including human and mouse data in a binary classification task of detecting individuals with versus without traumatic brain injury (TBI). By demonstrating notable improvements with an average increase of 14.42% for intraspecies datasets and 5.53% for interspecies datasets, our findings underscore the importance of the use of transfer learning to improve the performance of machine learning and deep learning models when using diverse datasets for training.
Inductive biases of multi-task learning and finetuning: multiple regimes of feature reuse
Authors: Samuel Lippl, Jack W. Lindsey
Date: 2023-10-03 00:00:00
Tasks: feature selection, image-classification, Image Classification, Inductive Bias, Multi-Task Learning

Neural networks are often trained on multiple tasks, either simultaneously (multi-task learning, MTL) or sequentially (pretraining and subsequent finetuning, PT+FT). In particular, it is common practice to pretrain neural networks on a large auxiliary task before finetuning on a downstream task with fewer samples. Despite the prevalence of this approach, the inductive biases that arise from learning multiple tasks are poorly characterized. In this work, we address this gap. We describe novel implicit regularization penalties associated with MTL and PT+FT in diagonal linear networks and single-hidden-layer ReLU networks. These penalties indicate that MTL and PT+FT induce the network to reuse features in different ways. 1) Both MTL and PT+FT exhibit biases towards feature reuse between tasks, and towards sparsity in the set of learned features. We show a "conservation law" that implies a direct tradeoff between these two biases. 2) PT+FT exhibits a novel "nested feature selection" regime, not described by either the "lazy" or "rich" regimes identified in prior work, which biases it to rely on a sparse subset of the features learned during pretraining. This regime is much narrower for MTL. 3) PT+FT (but not MTL) in ReLU networks benefits from features that are correlated between the auxiliary and main task. We confirm these findings empirically with teacher-student models, and introduce a technique -- weight rescaling following pretraining -- that can elicit the nested feature selection regime. Finally, we validate our theory in deep neural networks trained on image classification. We find that weight rescaling improves performance when it causes models to display signatures of nested feature selection. Our results suggest that nested feature selection may be an important inductive bias for finetuning neural networks.
SelectFormer: Private and Practical Data Selection for Transformers
Authors: Xu Ouyang, Felix Xiaozhu Lin, Yangfeng Ji
Date: 2023-10-03 00:00:00
Tasks: Scheduling

Critical to a free data market is $\textit{private data selection}$, i.e. the model owner selects and then appraises training data from the data owner before both parties commit to a transaction. To keep the data and model private, this process shall evaluate the target model to be trained over Multi-Party Computation (MPC). While prior work suggests that evaluating Transformer-based models over MPC is prohibitively expensive, this paper makes it practical for the purpose of data selection. Our contributions are three: (1) a new pipeline for private data selection over MPC; (2) emulating high-dimensional nonlinear operators with low-dimension MLPs, which are trained on a small sample of the data of interest; (3) scheduling MPC in a parallel, multiphase fashion. We evaluate our method on diverse Transformer models and NLP/CV benchmarks. Compared to directly evaluating the target model over MPC, our method reduces the delay from thousands of hours to tens of hours, while only seeing around 0.20% accuracy degradation from training with the selected data.