pwc-archive/papers-with-abstracts huggingface dataset:
CPLIP: Zero-Shot Learning for Histopathology with Comprehensive Vision-Language Alignment
Authors: Sajid Javed, Arif Mahmood, Iyyakutti Iyappan Ganapathi, Fayaz Ali Dharejo, Naoufel Werghi, Mohammed Bennamoun
Date: 2024-06-07 00:00:00
Proceeding: CVPR 2024 1
Tasks: Contrastive Learning, Zero-Shot Learning

This paper proposes Comprehensive Pathology Language Image Pre-training (CPLIP), a new unsupervised technique designed to enhance the alignment of images and text in histopathology for tasks such as classification and segmentation. This methodology enriches vision-language models by leveraging extensive data without needing ground truth annotations. CPLIP involves constructing a pathology-specific dictionary, generating textual descriptions for images using language models, and retrieving relevant images for each text snippet via a pre-trained model. The model is then fine-tuned using a many-to-many contrastive learning method to align complex interrelated concepts across both modalities. Evaluated across multiple histopathology tasks, CPLIP shows notable improvements in zero-shot learning scenarios, outperforming existing methods in both interpretability and robustness and setting a higher benchmark for the application of vision-language models in the field. To encourage further research and replication, the code for CPLIP is available on GitHub at https://cplip.github.io/
DiffusionPID: Interpreting Diffusion via Partial Information Decomposition
Authors: Rushikesh Zawar, Shaurya Dewan, Prakanshul Saxena, Yingshan Chang, Andrew Luo, Yonatan Bisk
Date: 2024-06-07 00:00:00
Tasks: Denoising

Text-to-image diffusion models have made significant progress in generating naturalistic images from textual inputs, and demonstrate the capacity to learn and represent complex visual-semantic relationships. While these diffusion models have achieved remarkable success, the underlying mechanisms driving their performance are not yet fully accounted for, with many unanswered questions surrounding what they learn, how they represent visual-semantic relationships, and why they sometimes fail to generalize. Our work presents Diffusion Partial Information Decomposition (DiffusionPID), a novel technique that applies information-theoretic principles to decompose the input text prompt into its elementary components, enabling a detailed examination of how individual tokens and their interactions shape the generated image. We introduce a formal approach to analyze the uniqueness, redundancy, and synergy terms by applying PID to the denoising model at both the image and pixel level. This approach enables us to characterize how individual tokens and their interactions affect the model output. We first present a fine-grained analysis of characteristics utilized by the model to uniquely localize specific concepts, we then apply our approach in bias analysis and show it can recover gender and ethnicity biases. Finally, we use our method to visually characterize word ambiguity and similarity from the model's perspective and illustrate the efficacy of our method for prompt intervention. Our results show that PID is a potent tool for evaluating and diagnosing text-to-image diffusion models.
The Unmet Promise of Synthetic Training Images: Using Retrieved Real Images Performs Better
Authors: Scott Geng, Cheng-Yu Hsieh, Vivek Ramanujan, Matthew Wallingford, Chun-Liang Li, Pang Wei Koh, Ranjay Krishna
Date: 2024-06-07 00:00:00
Tasks: image-classification, Image Classification, Retrieval

Generative text-to-image models enable us to synthesize unlimited amounts of images in a controllable manner, spurring many recent efforts to train vision models with synthetic data. However, every synthetic image ultimately originates from the upstream data used to train the generator. Does the intermediate generator provide additional information over directly training on relevant parts of the upstream data? Grounding this question in the setting of image classification, we compare finetuning on task-relevant, targeted synthetic data generated by Stable Diffusion -- a generative model trained on the LAION-2B dataset -- against finetuning on targeted real images retrieved directly from LAION-2B. We show that while synthetic data can benefit some downstream tasks, it is universally matched or outperformed by real data from the simple retrieval baseline. Our analysis suggests that this underperformance is partially due to generator artifacts and inaccurate task-relevant visual details in the synthetic images. Overall, we argue that targeted retrieval is a critical baseline to consider when training with synthetic data -- a baseline that current methods do not yet surpass. We release code, data, and models at https://github.com/scottgeng00/unmet-promise.
Data Augmentation for Multivariate Time Series Classification: An Experimental Study
Authors: Romain Ilbert, Thai V. Hoang, Zonghua Zhang
Date: 2024-06-10 00:00:00
Tasks: Data Augmentation, Time Series, Time Series Analysis, Time Series Classification

Our study investigates the impact of data augmentation on the performance of multivariate time series models, focusing on datasets from the UCR archive. Despite the limited size of these datasets, we achieved classification accuracy improvements in 10 out of 13 datasets using the Rocket and InceptionTime models. This highlights the essential role of sufficient data in training effective models, paralleling the advancements seen in computer vision. Our work delves into adapting and applying existing methods in innovative ways to the domain of multivariate time series classification. Our comprehensive exploration of these techniques sets a new standard for addressing data scarcity in time series analysis, emphasizing that diverse augmentation strategies are crucial for unlocking the potential of both traditional and deep learning models. Moreover, by meticulously analyzing and applying a variety of augmentation techniques, we demonstrate that strategic data enrichment can enhance model accuracy. This not only establishes a benchmark for future research in time series analysis but also underscores the importance of adopting varied augmentation approaches to improve model performance in the face of limited data availability.
Distribution-Free Predictive Inference under Unknown Temporal Drift
Authors: Elise Han, Chengpiao Huang, Kaizheng Wang
Date: 2024-06-10 00:00:00
Tasks: Prediction, Uncertainty Quantification

Distribution-free prediction sets play a pivotal role in uncertainty quantification for complex statistical models. Their validity hinges on reliable calibration data, which may not be readily available as real-world environments often undergo unknown changes over time. In this paper, we propose a strategy for choosing an adaptive window and use the data therein to construct prediction sets. The window is selected by optimizing an estimated bias-variance tradeoff. We provide sharp coverage guarantees for our method, showing its adaptivity to the underlying temporal drift. We also illustrate its efficacy through numerical experiments on synthetic and real data.
Random Features Approximation for Control-Affine Systems
Authors: Kimia Kazemian, Yahya Sattar, Sarah Dean
Date: 2024-06-10 00:00:00

Modern data-driven control applications call for flexible nonlinear models that are amenable to principled controller synthesis and realtime feedback. Many nonlinear dynamical systems of interest are control affine. We propose two novel classes of nonlinear feature representations which capture control affine structure while allowing for arbitrary complexity in the state dependence. Our methods make use of random features (RF) approximations, inheriting the expressiveness of kernel methods at a lower computational cost. We formalize the representational capabilities of our methods by showing their relationship to the Affine Dot Product (ADP) kernel proposed by Casta\~neda et al. (2021) and a novel Affine Dense (AD) kernel that we introduce. We further illustrate the utility by presenting a case study of data-driven optimization-based control using control certificate functions (CCF). Simulation experiments on a double pendulum empirically demonstrate the advantages of our methods.
Robust Distribution Learning with Local and Global Adversarial Corruptions
Authors: Sloan Nietert, Ziv Goldfeld, Soroosh Shafiee
Date: 2024-06-10 00:00:00
Tasks: Stochastic Optimization

We consider learning in an adversarial environment, where an $\varepsilon$-fraction of samples from a distribution $P$ are arbitrarily modified (global corruptions) and the remaining perturbations have average magnitude bounded by $\rho$ (local corruptions). Given access to $n$ such corrupted samples, we seek a computationally efficient estimator $\hat{P}_n$ that minimizes the Wasserstein distance $\mathsf{W}_1(\hat{P}_n,P)$. In fact, we attack the fine-grained task of minimizing $\mathsf{W}_1(\Pi_\# \hat{P}_n, \Pi_\# P)$ for all orthogonal projections $\Pi \in \mathbb{R}^{d \times d}$, with performance scaling with $\mathrm{rank}(\Pi) = k$. This allows us to account simultaneously for mean estimation ($k=1$), distribution estimation ($k=d$), as well as the settings interpolating between these two extremes. We characterize the optimal population-limit risk for this task and then develop an efficient finite-sample algorithm with error bounded by $\sqrt{\varepsilon k} + \rho + \tilde{O}(d\sqrt{k}n^{-1/(k \lor 2)})$ when $P$ has bounded covariance. This guarantee holds uniformly in $k$ and is minimax optimal up to the sub-optimality of the plug-in estimator when $\rho = \varepsilon = 0$. Our efficient procedure relies on a novel trace norm approximation of an ideal yet intractable 2-Wasserstein projection estimator. We apply this algorithm to robust stochastic optimization, and, in the process, uncover a new method for overcoming the curse of dimensionality in Wasserstein distributionally robust optimization.
Verification-Guided Shielding for Deep Reinforcement Learning
Authors: Davide Corsi, Guy Amir, Andoni Rodriguez, Cesar Sanchez, Guy Katz, Roy Fox
Date: 2024-06-10 00:00:00
Tasks: Deep Reinforcement Learning, reinforcement-learning, Reinforcement Learning

In recent years, Deep Reinforcement Learning (DRL) has emerged as an effective approach to solving real-world tasks. However, despite their successes, DRL-based policies suffer from poor reliability, which limits their deployment in safety-critical domains. Various methods have been put forth to address this issue by providing formal safety guarantees. Two main approaches include shielding and verification. While shielding ensures the safe behavior of the policy by employing an external online component (i.e., a ``shield'') that overrides potentially dangerous actions, this approach has a significant computational cost as the shield must be invoked at runtime to validate every decision. On the other hand, verification is an offline process that can identify policies that are unsafe, prior to their deployment, yet, without providing alternative actions when such a policy is deemed unsafe. In this work, we present verification-guided shielding -- a novel approach that bridges the DRL reliability gap by integrating these two methods. Our approach combines both formal and probabilistic verification tools to partition the input domain into safe and unsafe regions. In addition, we employ clustering and symbolic representation procedures that compress the unsafe regions into a compact representation. This, in turn, allows to temporarily activate the shield solely in (potentially) unsafe regions, in an efficient manner. Our novel approach allows to significantly reduce runtime overhead while still preserving formal safety guarantees. We extensively evaluate our approach on two benchmarks from the robotic navigation domain, as well as provide an in-depth analysis of its scalability and completeness.
Online Newton Method for Bandit Convex Optimisation
Authors: Hidde Fokkema, Dirk van der Hoeven, Tor Lattimore, Jack J. Mayo
Date: 2024-06-10 00:00:00

We introduce a computationally efficient algorithm for zeroth-order bandit convex optimisation and prove that in the adversarial setting its regret is at most $d^{3.5} \sqrt{n} \mathrm{polylog}(n, d)$ with high probability where $d$ is the dimension and $n$ is the time horizon. In the stochastic setting the bound improves to $M d^{2} \sqrt{n} \mathrm{polylog}(n, d)$ where $M \in [d^{-1/2}, d^{-1 / 4}]$ is a constant that depends on the geometry of the constraint set and the desired computational properties.
Equivariant Neural Tangent Kernels
Authors: Philipp Misof, Pan Kessel, Jan E. Gerken
Date: 2024-06-10 00:00:00
Tasks: Data Augmentation, image-classification, Image Classification, Medical Image Analysis, Property Prediction

Little is known about the training dynamics of equivariant neural networks, in particular how it compares to data augmented training of their non-equivariant counterparts. Recently, neural tangent kernels (NTKs) have emerged as a powerful tool to analytically study the training dynamics of wide neural networks. In this work, we take an important step towards a theoretical understanding of training dynamics of equivariant models by deriving neural tangent kernels for a broad class of equivariant architectures based on group convolutions. As a demonstration of the capabilities of our framework, we show an interesting relationship between data augmentation and group convolutional networks. Specifically, we prove that they share the same expected prediction at all training times and even off-manifold. In this sense, they have the same training dynamics. We demonstrate in numerical experiments that this still holds approximately for finite-width ensembles. By implementing equivariant NTKs for roto-translations in the plane ($G=C_{n}\ltimes\mathbb{R}^{2}$) and 3d rotations ($G=\mathrm{SO}(3)$), we show that equivariant NTKs outperform their non-equivariant counterparts as kernel predictors for histological image classification and quantum mechanical property prediction.
Boosting Robustness in Preference-Based Reinforcement Learning with Dynamic Sparsity
Authors: Calarina Muslimani, Bram Grooten, Deepak Ranganatha Sastry Mamillapalli, Mykola Pechenizkiy, Decebal Constantin Mocanu, Matthew E. Taylor
Date: 2024-06-10 00:00:00
Tasks: reinforcement-learning, Reinforcement Learning

For autonomous agents to successfully integrate into human-centered environments, agents should be able to learn from and adapt to humans in their native settings. Preference-based reinforcement learning (PbRL) is a promising approach that learns reward functions from human preferences. This enables RL agents to adapt their behavior based on human desires. However, humans live in a world full of diverse information, most of which is not relevant to completing a particular task. It becomes essential that agents learn to focus on the subset of task-relevant environment features. Unfortunately, prior work has largely ignored this aspect; primarily focusing on improving PbRL algorithms in standard RL environments that are carefully constructed to contain only task-relevant features. This can result in algorithms that may not effectively transfer to a more noisy real-world setting. To that end, this work proposes R2N (Robust-to-Noise), the first PbRL algorithm that leverages principles of dynamic sparse training to learn robust reward models that can focus on task-relevant features. We study the effectiveness of R2N in the Extremely Noisy Environment setting, an RL problem setting where up to 95% of the state features are irrelevant distractions. In experiments with a simulated teacher, we demonstrate that R2N can adapt the sparse connectivity of its neural networks to focus on task-relevant features, enabling R2N to significantly outperform several state-of-the-art PbRL algorithms in multiple locomotion and control environments.
When is Multicalibration Post-Processing Necessary?
Authors: Dutch Hansen, Siddartha Devic, Preetum Nakkiran, Vatsal Sharan
Date: 2024-06-10 00:00:00
Tasks: Fairness

Calibration is a well-studied property of predictors which guarantees meaningful uncertainty estimates. Multicalibration is a related notion -- originating in algorithmic fairness -- which requires predictors to be simultaneously calibrated over a potentially complex and overlapping collection of protected subpopulations (such as groups defined by ethnicity, race, or income). We conduct the first comprehensive study evaluating the usefulness of multicalibration post-processing across a broad set of tabular, image, and language datasets for models spanning from simple decision trees to 90 million parameter fine-tuned LLMs. Our findings can be summarized as follows: (1) models which are calibrated out of the box tend to be relatively multicalibrated without any additional post-processing; (2) multicalibration post-processing can help inherently uncalibrated models and large vision and language models; and (3) traditional calibration measures may sometimes provide multicalibration implicitly. More generally, we also distill many independent observations which may be useful for practical and effective applications of multicalibration post-processing in real-world contexts. We also release a python package implementing multicalibration algorithms, available via `pip install multicalibration'.
Continuum Attention for Neural Operators
Authors: Edoardo Calvello, Nikola B. Kovachki, Matthew E. Levine, Andrew M. Stuart
Date: 2024-06-10 00:00:00
Tasks: Operator learning

Transformers, and the attention mechanism in particular, have become ubiquitous in machine learning. Their success in modeling nonlocal, long-range correlations has led to their widespread adoption in natural language processing, computer vision, and time-series problems. Neural operators, which map spaces of functions into spaces of functions, are necessarily both nonlinear and nonlocal if they are universal; it is thus natural to ask whether the attention mechanism can be used in the design of neural operators. Motivated by this, we study transformers in the function space setting. We formulate attention as a map between infinite dimensional function spaces and prove that the attention mechanism as implemented in practice is a Monte Carlo or finite difference approximation of this operator. The function space formulation allows for the design of transformer neural operators, a class of architectures designed to learn mappings between function spaces, for which we prove a universal approximation result. The prohibitive cost of applying the attention operator to functions defined on multi-dimensional domains leads to the need for more efficient attention-based architectures. For this reason we also introduce a function space generalization of the patching strategy from computer vision, and introduce a class of associated neural operators. Numerical results, on an array of operator learning problems, demonstrate the promise of our approaches to function space formulations of attention and their use in neural operators.
Parallelizing Linear Transformers with the Delta Rule over Sequence Length
Authors: Songlin Yang, Bailin Wang, Yu Zhang, Yikang Shen, Yoon Kim
Date: 2024-06-10 00:00:00
Tasks: Language Modeling, Language Modelling, Mamba, State Space Models

Transformers with linear attention (i.e., linear transformers) and state-space models have recently been suggested as a viable linear-time alternative to transformers with softmax attention. However, these models still underperform transformers especially on tasks that require in-context retrieval. While more expressive variants of linear transformers which replace the additive update in linear transformers with the delta rule (DeltaNet) have been found to be more effective at associative recall, existing algorithms for training such models do not parallelize over sequence length and are thus inefficient to train on modern hardware. This work describes a hardware-efficient algorithm for training linear transformers with the delta rule, which exploits a memory-efficient representation for computing products of Householder matrices. This algorithm allows us to scale up DeltaNet to standard language modeling settings. We train a 1.3B model for 100B tokens and find that it outperforms recent linear-time baselines such as Mamba and GLA in terms of perplexity and zero-shot performance on downstream tasks. We also experiment with two hybrid models which combine DeltaNet layers with (1) sliding-window attention layers every other layer or (2) two global attention layers, and find that these hybrids outperform strong transformer baselines.
Quantum Equilibrium Propagation for efficient training of quantum systems based on Onsager reciprocity
Authors: Clara C. Wanjura, Florian Marquardt
Date: 2024-06-10 00:00:00

The widespread adoption of machine learning and artificial intelligence in all branches of science and technology has created a need for energy-efficient, alternative hardware platforms. While such neuromorphic approaches have been proposed and realised for a wide range of platforms, physically extracting the gradients required for training remains challenging as generic approaches only exist in certain cases. Equilibrium propagation (EP) is such a procedure that has been introduced and applied to classical energy-based models which relax to an equilibrium. Here, we show a direct connection between EP and Onsager reciprocity and exploit this to derive a quantum version of EP. This can be used to optimize loss functions that depend on the expectation values of observables of an arbitrary quantum system. Specifically, we illustrate this new concept with supervised and unsupervised learning examples in which the input or the solvable task is of quantum mechanical nature, e.g., the recognition of quantum many-body ground states, quantum phase exploration, sensing and phase boundary exploration. We propose that in the future quantum EP may be used to solve tasks such as quantum phase discovery with a quantum simulator even for Hamiltonians which are numerically hard to simulate or even partially unknown. Our scheme is relevant for a variety of quantum simulation platforms such as ion chains, superconducting qubit arrays, neutral atom Rydberg tweezer arrays and strongly interacting atoms in optical lattices.
Graph-Based Bidirectional Transformer Decision Threshold Adjustment Algorithm for Class-Imbalanced Molecular Data
Authors: Nicole Hayes, Ekaterina Merkurjev, Guo-Wei Wei
Date: 2024-06-10 00:00:00
Tasks: Drug Discovery, Self-Supervised Learning

Data sets with imbalanced class sizes, where one class size is much smaller than that of others, occur exceedingly often in many applications, including those with biological foundations, such as disease diagnosis and drug discovery. Therefore, it is extremely important to be able to identify data elements of classes of various sizes, as a failure to do so can result in heavy costs. Nonetheless, many data classification procedures do not perform well on imbalanced data sets as they often fail to detect elements belonging to underrepresented classes. In this work, we propose the BTDT-MBO algorithm, incorporating Merriman-Bence-Osher (MBO) approaches and a bidirectional transformer, as well as distance correlation and decision threshold adjustments, for data classification tasks on highly imbalanced molecular data sets, where the sizes of the classes vary greatly. The proposed technique not only integrates adjustments in the classification threshold for the MBO algorithm in order to help deal with the class imbalance, but also uses a bidirectional transformer procedure based on an attention mechanism for self-supervised learning. In addition, the model implements distance correlation as a weight function for the similarity graph-based framework on which the adjusted MBO algorithm operates. The proposed method is validated using six molecular data sets and compared to other related techniques. The computational experiments show that the proposed technique is superior to competing approaches even in the case of a high class imbalance ratio.