Ramith Hettiarachchi

Henry Arguello, Jorge Bacca, Hasindu Kariyawasam et al. · cmu

Computational optical imaging (COI) systems leverage optical coding elements (CE) in their setups to encode a high-dimensional scene in a single or multiple snapshots and decode it by using computational algorithms. The performance of COI systems highly depends on the design of its main components: the CE pattern and the computational method used to perform a given task. Conventional approaches rely on random patterns or analytical designs to set the distribution of the CE. However, the available data and algorithm capabilities of deep neural networks (DNNs) have opened a new horizon in CE data-driven designs that jointly consider the optical encoder and computational decoder. Specifically, by modeling the COI measurements through a fully differentiable image formation model that considers the physics-based propagation of light and its interaction with the CEs, the parameters that define the CE and the computational decoder can be optimized in an end-to-end (E2E) manner. Moreover, by optimizing just CEs in the same framework, inference tasks can be performed from pure optics. This work surveys the recent advances on CE data-driven design and provides guidelines on how to parametrize different optical elements to include them in the E2E framework. Since the E2E framework can handle different inference applications by changing the loss function and the DNN, we present low-level tasks such as spectral imaging reconstruction or high-level tasks such as pose estimation with privacy preserving enhanced by using optimal task-based optical architectures. Finally, we illustrate classification and 3D object recognition applications performed at the speed of the light using all-optics DNN.

Udith Haputhanthri, Kithmini Herath, Ramith Hettiarachchi et al. · cmu

With applications ranging from metabolomics to histopathology, quantitative phase microscopy (QPM) is a powerful label-free imaging modality. Despite significant advances in fast multiplexed imaging sensors and deep-learning-based inverse solvers, the throughput of QPM is currently limited by the speed of electronic hardware. Complementarily, to improve throughput further, here we propose to acquire images in a compressed form such that more information can be transferred beyond the existing electronic hardware bottleneck. To this end, we present a learnable optical compression-decompression framework that learns content-specific features. The proposed differentiable quantitative phase microscopy ($\partial μ$) first uses learnable optical feature extractors as image compressors. The intensity representation produced by these networks is then captured by the imaging sensor. Finally, a reconstruction network running on electronic hardware decompresses the QPM images. In numerical experiments, the proposed system achieves compression of $\times$ 64 while maintaining the SSIM of $\sim 0.90$ and PSNR of $\sim 30$ dB on cells. The results demonstrated by our experiments open up a new pathway for achieving end-to-end optimized (i.e., optics and electronic) compact QPM systems that may provide unprecedented throughput improvements.

Kithmini Herath, Udith Haputhanthri, Ramith Hettiarachchi et al. · cmu

Since the late 16th century, scientists have continuously innovated and developed new microscope types for various applications. Creating a new architecture from the ground up requires substantial scientific expertise and creativity, often spanning years or even decades. In this study, we propose an alternative approach called "Differentiable Microscopy," which introduces a top-down design paradigm for optical microscopes. Using all-optical phase retrieval as an illustrative example, we demonstrate the effectiveness of data-driven microscopy design through $\partialμ$. Furthermore, we conduct comprehensive comparisons with competing methods, showcasing the consistent superiority of our learned designs across multiple datasets, including biological samples. To substantiate our ideas, we experimentally validate the functionality of one of the learned designs, providing a proof of concept. The proposed differentiable microscopy framework supplements the creative process of designing new optical systems and would perhaps lead to unconventional but better optical designs.

Hasindu Kariyawasam, Ramith Hettiarachchi, Quansan Yang et al. · cmu

Optical processors, built with "optical neurons", can efficiently perform high-dimensional linear operations at the speed of light. Thus they are a promising avenue to accelerate large-scale linear computations. With the current advances in micro-fabrication, such optical processors can now be 3D fabricated, but with a limited precision. This limitation translates to quantization of learnable parameters in optical neurons, and should be handled during the design of the optical processor in order to avoid a model mismatch. Specifically, optical neurons should be trained or designed within the physical-constraints at a predefined quantized precision level. To address this critical issues we propose a physics-informed quantization-aware training framework. Our approach accounts for physical constraints during the training process, leading to robust designs. We demonstrate that our approach can design state of the art optical processors using diffractive networks for multiple physics based tasks despite quantized learnable parameters. We thus lay the foundation upon which improved optical processors may be 3D fabricated in the future.

Shivalika Singh, Freddie Vargus, Daniel Dsouza et al. · cmu

Datasets are foundational to many breakthroughs in modern artificial intelligence. Many recent achievements in the space of natural language processing (NLP) can be attributed to the finetuning of pre-trained models on a diverse set of tasks that enables a large language model (LLM) to respond to instructions. Instruction fine-tuning (IFT) requires specifically constructed and annotated datasets. However, existing datasets are almost all in the English language. In this work, our primary goal is to bridge the language gap by building a human-curated instruction-following dataset spanning 65 languages. We worked with fluent speakers of languages from around the world to collect natural instances of instructions and completions. Furthermore, we create the most extensive multilingual collection to date, comprising 513 million instances through templating and translating existing datasets across 114 languages. In total, we contribute four key resources: we develop and open-source the Aya Annotation Platform, the Aya Dataset, the Aya Collection, and the Aya Evaluation Suite. The Aya initiative also serves as a valuable case study in participatory research, involving collaborators from 119 countries. We see this as a valuable framework for future research collaborations that aim to bridge gaps in resources.

Ian Dunn, Liv Toft, Tyler Katz et al.

Structure-based drug design (SBDD) focuses on designing small-molecule ligands that bind to specific protein pockets. Computational methods are integral in modern SBDD workflows and often make use of virtual screening methods via docking or pharmacophore search. Modern generative modeling approaches have focused on improving novel ligand discovery by enabling de novo design. In this work, we recognize that these tasks share a common structure and can therefore be represented as different instantiations of a consistent generative modeling framework. We propose a unified approach in OMTRA, a multi-modal flow matching model that flexibly performs many tasks relevant to SBDD, including some with no analogue in conventional workflows. Additionally, we curate a dataset of 500M 3D molecular conformers, complementing protein-ligand data and expanding the chemical diversity available for training. OMTRA obtains state of the art performance on pocket-conditioned de novo design and docking; however, the effects of large-scale pretraining and multi-task training are modest. All code, trained models, and dataset for reproducing this work are available at https://github.com/gnina/OMTRA

Zhenqiao Song, Ramith Hettiarachchi, Chuan Li et al. · cmu

Designing ligand-binding proteins with precise functions is fundamental to advances in biology and chemistry, yet existing AI approaches are limited by scarce protein-ligand complex data. Meanwhile, abundant text descriptions of protein-ligand interactions remain underutilized. We introduce InstructPro, a family of generative models that design proteins from natural language instructions and ligand formulas. InstructPro produces protein sequences consistent with specified functional descriptions and ligand targets. To enable training and evaluation, we develop InstructProBench, a large-scale dataset of 9.6 million (function description, ligand, protein) triples. We train two model variants: InstructPro-1B and InstructPro-3B, which substantially outperform strong baselines. InstructPro-1B achieves design success rates of 2.46% (seen ligands) and 3.14% (zero-shot), while InstructPro-3B reaches 5.06% and 3.93%, respectively. These results demonstrate the potential of natural language-guided generative modeling to expand protein design capabilities beyond traditional data limitations.

Ramith Hettiarachchi, Udith Haputhanthri, Kithmini Herath et al.

Diagnosing pre-existing heart diseases early in life is important as it helps prevent complications such as pulmonary hypertension, heart rhythm problems, blood clots, heart failure and sudden cardiac arrest. To identify such diseases, phonocardiogram (PCG) and electrocardiogram (ECG) waveforms convey important information. Therefore, effectively using these two modalities of data has the potential to improve the disease screening process. We evaluate this hypothesis on a subset of the PhysioNet Challenge 2016 Dataset which contains simultaneously acquired PCG and ECG recordings. Our novel Dual-Convolutional Neural Network based approach uses transfer learning to tackle the problem of having limited amounts of simultaneous PCG and ECG data that is publicly available, while having the potential to adapt to larger datasets. In addition, we introduce two main evaluation frameworks named record-wise and sample-wise evaluation which leads to a rich performance evaluation for the transfer learning approach. Comparisons with methods which used single or dual modality data show that our method can lead to better performance. Furthermore, our results show that individually collected ECG or PCG waveforms are able to provide transferable features which could effectively help to make use of a limited number of synchronized PCG and ECG waveforms and still achieve significant classification performance.