Reviewerly/exHarmony huggingface dataset:
An Adaptive Correspondence Scoring Framework for Unsupervised Image Registration of Medical Images

We propose an adaptive training scheme for unsupervised medical image registration. Existing methods rely on image reconstruction as the primary supervision signal. However, nuisance variables (e.g. noise and covisibility) often cause the loss of correspondence between medical images, violating the Lambertian assumption in physical waves (e.g. ultrasound) and consistent imaging acquisition. As the unsupervised learning scheme relies on intensity constancy to establish correspondence between images for reconstruction, this introduces spurious error residuals that are not modeled by the typical training objective. To mitigate this, we propose an adaptive framework that re-weights the error residuals with a correspondence scoring map during training, preventing the parametric displacement estimator from drifting away due to noisy gradients, which leads to performance degradations. To illustrate the versatility and effectiveness of our method, we tested our framework on three representative registration architectures across three medical image datasets along with other baselines. Our proposed adaptive framework consistently outperforms other methods both quantitatively and qualitatively. Paired t-tests show that our improvements are statistically significant. The code will be publicly available at \url{https://voldemort108x.github.io/AdaCS/}.
LLM-TAKE: Theme Aware Keyword Extraction Using Large Language Models

Keyword extraction is one of the core tasks in natural language processing. Classic extraction models are notorious for having a short attention span which make it hard for them to conclude relational connections among the words and sentences that are far from each other. This, in turn, makes their usage prohibitive for generating keywords that are inferred from the context of the whole text. In this paper, we explore using Large Language Models (LLMs) in generating keywords for items that are inferred from the items textual metadata. Our modeling framework includes several stages to fine grain the results by avoiding outputting keywords that are non informative or sensitive and reduce hallucinations common in LLM. We call our LLM-based framework Theme-Aware Keyword Extraction (LLM TAKE). We propose two variations of framework for generating extractive and abstractive themes for products in an E commerce setting. We perform an extensive set of experiments on three real data sets and show that our modeling framework can enhance accuracy based and diversity based metrics when compared with benchmark models.
Hybrid Quantum Neural Network in High-dimensional Data Classification

Abstract The research explores the potential of quantum deep learning models to address challenging machine learning problems that classical deep learning models find difficult to tackle. We introduce a novel model architecture that combines classical convolutional layers with a quantum neural network, aiming to surpass state-of-the-art accuracy while maintaining a compact model size. The experiment is to classify high-dimensional audio data from the Bird-CLEF 2021 dataset. Our evaluation focuses on key metrics, including training duration, model accuracy, and total model size. This research demonstrates the promising potential of quantum machine learning in enhancing machine learning tasks and solving practical machine learning challenges available today.
Lennard Jones Token: a blockchain solution to scientific data curation

Data science and artificial intelligence have become an indispensable part of scientific research. While such methods rely on high-quality and large quantities of machine-readable scientific data, the current scientific data infrastructure faces significant challenges that limit effective data curation and sharing. These challenges include insufficient return on investment for researchers to share quality data, logistical difficulties in maintaining long-term data repositories, and the absence of standardized methods for evaluating the relative importance of various datasets. To address these issues, this paper presents the Lennard Jones Token, a blockchain-based proof-of-concept solution implemented on the Ethereum network. The token system incentivizes users to submit optimized structures of Lennard Jones particles by offering token rewards, while also charging for access to these valuable structures. Utilizing smart contracts, the system automates the evaluation of submitted data, ensuring that only structures with energies lower than those in the existing database for a given cluster size are rewarded. The paper explores the details of the Lennard Jones Token as a proof of concept and proposes future blockchain-based tokens aimed at enhancing the curation and sharing of scientific data.
Improve Supervised Representation Learning with Masked Image Modeling

Training visual embeddings with labeled data supervision has been the de facto setup for representation learning in computer vision. Inspired by recent success of adopting masked image modeling (MIM) in self-supervised representation learning, we propose a simple yet effective setup that can easily integrate MIM into existing supervised training paradigms. In our design, in addition to the original classification task applied to a vision transformer image encoder, we add a shallow transformer-based decoder on top of the encoder and introduce an MIM task which tries to reconstruct image tokens based on masked image inputs. We show with minimal change in architecture and no overhead in inference that this setup is able to improve the quality of the learned representations for downstream tasks such as classification, image retrieval, and semantic segmentation. We conduct a comprehensive study and evaluation of our setup on public benchmarks. On ImageNet-1k, our ViT-B/14 model achieves 81.72% validation accuracy, 2.01% higher than the baseline model. On K-Nearest-Neighbor image retrieval evaluation with ImageNet-1k, the same model outperforms the baseline by 1.32%. We also show that this setup can be easily scaled to larger models and datasets. Code and checkpoints will be released.
Hyperparameter Optimization for Large Language Model Instruction-Tuning

The fine-tuning of Large Language Models (LLMs) has enabled them to recently achieve milestones in natural language processing applications. The emergence of ever larger LLMs has paved the way for more efficient fine-tuning methods. Among these, the Low-Rank Adaptation (LoRA) method keeps most of the weights of the pre-trained LLM frozen while introducing a low-rank decomposition of the weight matrix, enabling the tuning of only a very small proportion of the network. The performance on downstream tasks of models fine-tuned with LoRA heavily relies on a set of hyperparameters including the rank of the decomposition. In this work, we investigate the choice of these hyperparameters through two main blackbox optimization (BBO) techniques. We examine the whole pipeline of performing fine-tuning and validation on a pre-trained LLM as a blackbox and efficiently explore the space of hyperparameters with the \nomad algorithm, achieving a boost in performance and human alignment of the tuned model.
A Theory of Unimodal Bias in Multimodal Learning

Using multiple input streams simultaneously in training multimodal neural networks is intuitively advantageous, but practically challenging. A key challenge is unimodal bias, where a network overly relies on one modality and ignores others during joint training. While unimodal bias is well-documented empirically, our theoretical understanding of how architecture and data statistics influence this bias remains incomplete. Here we develop a theory of unimodal bias with deep multimodal linear networks. We calculate the duration of the unimodal phase in learning as a function of the depth at which modalities are fused within the network, dataset statistics, and initialization. We find that the deeper the layer at which fusion occurs, the longer the unimodal phase. A long unimodal phase can lead to a generalization deficit and permanent unimodal bias in the overparametrized regime. In addition, our theory reveals the modality learned first is not necessarily the modality that contributes more to the output. Our results, derived for multimodal linear networks, extend to ReLU networks in certain settings. Taken together, this work illuminates pathologies of multimodal learning under joint training, showing that late and intermediate fusion architectures can give rise to long unimodal phases and permanent unimodal bias.
Polynomial Functors: A Mathematical Theory of Interaction

This monograph is a study of the category of polynomial endofunctors on the category of sets and its applications to modeling interaction protocols and dynamical systems. We assume basic categorical background and build the categorical theory from the ground up, highlighting pictorical techniques and concrete examples to build intuition and provide applications.
Omni-SMoLA: Boosting Generalist Multimodal Models with Soft Mixture of Low-rank Experts

Large multi-modal models (LMMs) exhibit remarkable performance across numerous tasks. However, generalist LMMs often suffer from performance degradation when tuned over a large collection of tasks. Recent research suggests that Mixture of Experts (MoE) architectures are useful for instruction tuning, but for LMMs of parameter size around O(50-100B), the prohibitive cost of replicating and storing the expert models severely limits the number of experts we can use. We propose Omni-SMoLA, an architecture that uses the Soft MoE approach to (softly) mix many multimodal low rank experts, and avoids introducing a significant number of new parameters compared to conventional MoE models. The core intuition here is that the large model provides a foundational backbone, while different lightweight experts residually learn specialized knowledge, either per-modality or multimodally. Extensive experiments demonstrate that the SMoLA approach helps improve the generalist performance across a broad range of generative vision-and-language tasks, achieving new SoTA generalist performance that often matches or outperforms single specialized LMM baselines, as well as new SoTA specialist performance.
Harnessing the Power of Prompt-based Techniques for Generating School-Level Questions using Large Language Models

Designing high-quality educational questions is a challenging and time-consuming task. In this work, we propose a novel approach that utilizes prompt-based techniques to generate descriptive and reasoning-based questions. However, current question-answering (QA) datasets are inadequate for conducting our experiments on prompt-based question generation (QG) in an educational setting. Therefore, we curate a new QG dataset called EduProbe for school-level subjects, by leveraging the rich content of NCERT textbooks. We carefully annotate this dataset as quadruples of 1) Context: a segment upon which the question is formed; 2) Long Prompt: a long textual cue for the question (i.e., a longer sequence of words or phrases, covering the main theme of the context); 3) Short Prompt: a short textual cue for the question (i.e., a condensed representation of the key information or focus of the context); 4) Question: a deep question that aligns with the context and is coherent with the prompts. We investigate several prompt-based QG methods by fine-tuning pre-trained transformer-based large language models (LLMs), namely PEGASUS, T5, MBART, and BART. Moreover, we explore the performance of two general-purpose pre-trained LLMs such as Text-Davinci-003 and GPT-3.5-Turbo without any further training. By performing automatic evaluation, we show that T5 (with long prompt) outperforms all other models, but still falls short of the human baseline. Under human evaluation criteria, TextDavinci-003 usually shows better results than other models under various prompt settings. Even in the case of human evaluation criteria, QG models mostly fall short of the human baseline. Our code and dataset are available at: https://github.com/my625/PromptQG
Investigating the Surrogate Modeling Capabilities of Continuous Time Echo State Networks

Continuous Time Echo State Networks (CTESNs) are a promising yet under-explored surrogate modeling technique for dynamical systems, particularly those governed by stiff Ordinary Differential Equations (ODEs). A key determinant of the generalization accuracy of a CTESN surrogate is the method of projecting the reservoir state to the output. This paper shows that of the two common projection methods (linear and nonlinear), the surrogates developed via the nonlinear projection consistently outperform those developed via the linear method. CTESN surrogates are developed for several challenging benchmark cases governed by stiff ODEs, and for each case, the performance of the linear and nonlinear projections is compared. The results of this paper demonstrate the applicability of CTESNs to a variety of problems while serving as a reference for important algorithmic and hyper-parameter choices for CTESNs
General noise-resilient quantum amplitude estimation

Quantum advantage requires overcoming noise-induced degradation of quantum systems. Conventional methods for reducing noise such as error mitigation face scalability issues in deep circuits. Specifically, noise hampers the extraction of amplitude and observable information from quantum systems. In this work, we present a novel algorithm that enhances the estimation of amplitude and observable under noise. Remarkably, our algorithm exhibits robustness against noise that varies across different depths of the quantum circuits. We assess the accuracy of amplitude and observable using numerical analysis and theoretically analyze the impact of gate-dependent noise on the results. This algorithm is a potential candidate for noise-resilient approaches that have high computational accuracy.
A New Random Reshuffling Method for Nonsmooth Nonconvex Finite-sum Optimization

In this work, we propose and study a novel stochastic optimization algorithm, termed the normal map-based proximal random reshuffling (norm-PRR) method, for nonsmooth nonconvex finite-sum problems. Random reshuffling techniques are prevalent and widely utilized in large-scale applications, e.g., in the training of neural networks. While the convergence behavior and advantageous acceleration effects of random reshuffling methods are fairly well understood in the smooth setting, much less seems to be known in the nonsmooth case and only few proximal-type random reshuffling approaches with provable guarantees exist. We establish the iteration complexity ${\cal O}(n^{-1/3}T^{-2/3})$ for norm-PRR, where $n$ is the number of component functions and $T$ counts the total number of iteration. We also provide novel asymptotic convergence results for norm-PRR. Specifically, under the Kurdyka-{\L}ojasiewicz (KL) inequality, we establish strong limit-point convergence, i.e., the iterates generated by norm-PRR converge to a single stationary point. Moreover, we derive last iterate convergence rates of the form ${\cal O}(k^{-p})$; here, $p \in [0, 1]$ depends on the KL exponent $\theta \in [0,1)$ and step size dynamics. Finally, we present preliminary numerical results on machine learning problems that demonstrate the efficiency of the proposed method.
Efficient Postprocessing Procedure for Evaluating Hamiltonian Expectation Values in Variational Quantum Eigensolver

We proposed a simple strategy to improve the postprocessing overhead of evaluating Hamiltonian expectation values in Variational quantum eigensolvers (VQEs). Observing the fact that for a mutually commuting observable group G in a given Hamiltonian, <b|G|b> is fixed for a measurement outcome bit string $b$ in the corresponding basis, we create a measurement memory (MM) dictionary for every commuting operator group G in a Hamiltonian. Once a measurement outcome bit string $b$ appears, we store $b$ and <b|G|b> as key and value, and the next time the same bit string appears, we can find <b|G|b> from the memory, rather than evaluate it once again. We further analyze the complexity of MM and compare it with commonly employed post-processing procedure, finding that MM is always more efficient in terms of time complexity. We implement this procedure on the task of minimizing a fully connected Ising Hamiltonians up to 20 qubits, and $H_2$, $H_4$, $LiH$, and $H_2O$ molecular Hamiltonians with different grouping methods. For Ising Hamiltonian, where all $O(N^2)$ terms commute, our method offers an $O(N^2)$ speedup in terms of the percentage of time saved. In the case of molecular Hamiltonians, we achieved over $O(N)$ percentage time saved, depending on the grouping method.
Planning as In-Painting: A Diffusion-Based Embodied Task Planning Framework for Environments under Uncertainty

Task planning for embodied AI has been one of the most challenging problems where the community does not meet a consensus in terms of formulation. In this paper, we aim to tackle this problem with a unified framework consisting of an end-to-end trainable method and a planning algorithm. Particularly, we propose a task-agnostic method named 'planning as in-painting'. In this method, we use a Denoising Diffusion Model (DDM) for plan generation, conditioned on both language instructions and perceptual inputs under partially observable environments. Partial observation often leads to the model hallucinating the planning. Therefore, our diffusion-based method jointly models both state trajectory and goal estimation to improve the reliability of the generated plan, given the limited available information at each step. To better leverage newly discovered information along the plan execution for a higher success rate, we propose an on-the-fly planning algorithm to collaborate with the diffusion-based planner. The proposed framework achieves promising performances in various embodied AI tasks, including vision-language navigation, object manipulation, and task planning in a photorealistic virtual environment. The code is available at: https://github.com/joeyy5588/planning-as-inpainting.
A Survey of Temporal Credit Assignment in Deep Reinforcement Learning

The Credit Assignment Problem (CAP) refers to the longstanding challenge of Reinforcement Learning (RL) agents to associate actions with their long-term consequences. Solving the CAP is a crucial step towards the successful deployment of RL in the real world since most decision problems provide feedback that is noisy, delayed, and with little or no information about the causes. These conditions make it hard to distinguish serendipitous outcomes from those caused by informed decision-making. However, the mathematical nature of credit and the CAP remains poorly understood and defined. In this survey, we review the state of the art of Temporal Credit Assignment (CA) in deep RL. We propose a unifying formalism for credit that enables equitable comparisons of state of the art algorithms and improves our understanding of the trade-offs between the various methods. We cast the CAP as the problem of learning the influence of an action over an outcome from a finite amount of experience. We discuss the challenges posed by delayed effects, transpositions, and a lack of action influence, and analyse how existing methods aim to address them. Finally, we survey the protocols to evaluate a credit assignment method, and suggest ways to diagnoses the sources of struggle for different credit assignment methods. Overall, this survey provides an overview of the field for new-entry practitioners and researchers, it offers a coherent perspective for scholars looking to expedite the starting stages of a new study on the CAP, and it suggests potential directions for future research
Virtual reservoir acceleration for CPU and GPU: Case study for coupled spin-torque oscillator reservoir

We provide high-speed implementations for simulating reservoirs described by $N$-coupled spin-torque oscillators. Here $N$ also corresponds to the number of reservoir nodes. We benchmark a variety of implementations based on CPU and GPU. Our new methods are at least 2.6 times quicker than the baseline for $N$ in range $1$ to $10^4$. More specifically, over all implementations the best factor is 78.9 for $N=1$ which decreases to 2.6 for $N=10^3$ and finally increases to 23.8 for $N=10^4$. GPU outperforms CPU significantly at $N=2500$. Our results show that GPU implementations should be tested for reservoir simulations. The implementations considered here can be used for any reservoir with evolution that can be approximated using an explicit method.
Vision-based FDM Printing for Fabricating Airtight Soft Actuators

Pneumatic soft robots are typically fabricated by molding, a manual fabrication process that requires skilled labor. Additive manufacturing has the potential to break this limitation and speed up the fabrication process but struggles with consistently producing high-quality prints. We propose a low-cost approach to improve the print quality of desktop fused deposition modeling by adding a webcam to the printer to monitor the printing process and detect and correct defects such as holes or gaps. We demonstrate that our approach improves the air-tightness of printed pneumatic actuators without fine-tuning printing parameters. Our approach presents a new option for robustly fabricating airtight, soft robotic actuators.
SASSL: Enhancing Self-Supervised Learning via Neural Style Transfer

Existing data augmentation in self-supervised learning, while diverse, fails to preserve the inherent structure of natural images. This results in distorted augmented samples with compromised semantic information, ultimately impacting downstream performance. To overcome this, we propose SASSL: Style Augmentations for Self Supervised Learning, a novel augmentation technique based on Neural Style Transfer. SASSL decouples semantic and stylistic attributes in images and applies transformations exclusively to the style while preserving content, generating diverse samples that better retain semantics. Our technique boosts top-1 classification accuracy on ImageNet by up to 2$\%$ compared to established self-supervised methods like MoCo, SimCLR, and BYOL, while achieving superior transfer learning performance across various datasets.
DDxT: Deep Generative Transformer Models for Differential Diagnosis

Differential Diagnosis (DDx) is the process of identifying the most likely medical condition among the possible pathologies through the process of elimination based on evidence. An automated process that narrows a large set of pathologies down to the most likely pathologies will be of great importance. The primary prior works have relied on the Reinforcement Learning (RL) paradigm under the intuition that it aligns better with how physicians perform DDx. In this paper, we show that a generative approach trained with simpler supervised and self-supervised learning signals can achieve superior results on the current benchmark. The proposed Transformer-based generative network, named DDxT, autoregressively produces a set of possible pathologies, i.e., DDx, and predicts the actual pathology using a neural network. Experiments are performed using the DDXPlus dataset. In the case of DDx, the proposed network has achieved a mean accuracy of 99.82% and a mean F1 score of 0.9472. Additionally, mean accuracy reaches 99.98% with a mean F1 score of 0.9949 while predicting ground truth pathology. The proposed DDxT outperformed the previous RL-based approaches by a big margin. Overall, the automated Transformer-based DDx generative model has the potential to become a useful tool for a physician in times of urgency.