Utilizing Large Language Models for Natural Interface to Pharmacology Databases

The drug development process necessitates that pharmacologists undertake various tasks, such as reviewing literature, formulating hypotheses, designing experiments, and interpreting results. Each stage requires accessing and querying vast amounts of information. In this abstract, we introduce a Large Language Model (LLM)-based Natural Language Interface designed to interact with structured information stored in databases. Our experiments demonstrate the feasibility and effectiveness of the proposed framework. This framework can generalize to query a wide range of pharmaceutical data and knowledge bases.

Implicit Neural Representation as a Differentiable Surrogate for Photon Propagation in a Monolithic Neutrino Detector

Optical photons are used as signal in a wide variety of particle detectors. Modern neutrino experiments employ hundreds to tens of thousands of photon detectors to observe signal from millions to billions of scintillation photons produced from energy deposition of charged particles. These neutrino detectors are typically large, containing kilotons of target volume, with different optical properties. Modeling individual photon propagation in form of look-up table requires huge computational resources. As the size of a table increases with detector volume for a fixed resolution, this method scales poorly for future larger detectors. Alternative approaches such as fitting a polynomial to the model could address the memory issue, but results in poorer performance. Both look-up table and fitting approaches are prone to discrepancies between the detector simulation and the data collected. We propose a new approach using SIREN, an implicit neural representation with periodic activation functions, to model the look-up table as a 3D scene and reproduces the acceptance map with high accuracy. The number of parameters in our SIREN model is orders of magnitude smaller than the number of voxels in the look-up table. As it models an underlying functional shape, SIREN is scalable to a larger detector. Furthermore, SIREN can successfully learn the spatial gradients of the photon library, providing additional information for downstream applications. Finally, as SIREN is a neural network representation, it is differentiable with respect to its parameters, and therefore tunable via gradient descent. We demonstrate the potential of optimizing SIREN directly on real data, which mitigates the concern of data vs. simulation discrepancies. We further present an application for data reconstruction where SIREN is used to form a likelihood function for photon statistics.

clip2latent: Text driven sampling of a pre-trained StyleGAN using denoising diffusion and CLIP

We introduce a new method to efficiently create text-to-image models from a pre-trained CLIP and StyleGAN. It enables text driven sampling with an existing generative model without any external data or fine-tuning. This is achieved by training a diffusion model conditioned on CLIP embeddings to sample latent vectors of a pre-trained StyleGAN, which we call clip2latent. We leverage the alignment between CLIP's image and text embeddings to avoid the need for any text labelled data for training the conditional diffusion model. We demonstrate that clip2latent allows us to generate high-resolution (1024x1024 pixels) images based on text prompts with fast sampling, high image quality, and low training compute and data requirements. We also show that the use of the well studied StyleGAN architecture, without further fine-tuning, allows us to directly apply existing methods to control and modify the generated images adding a further layer of control to our text-to-image pipeline.

NPRportrait 1.0: A Three-Level Benchmark for Non-Photorealistic Rendering of Portraits

Despite the recent upsurge of activity in image-based non-photorealistic rendering (NPR), and in particular portrait image stylisation, due to the advent of neural style transfer, the state of performance evaluation in this field is limited, especially compared to the norms in the computer vision and machine learning communities. Unfortunately, the task of evaluating image stylisation is thus far not well defined, since it involves subjective, perceptual and aesthetic aspects. To make progress towards a solution, this paper proposes a new structured, three level, benchmark dataset for the evaluation of stylised portrait images. Rigorous criteria were used for its construction, and its consistency was validated by user studies. Moreover, a new methodology has been developed for evaluating portrait stylisation algorithms, which makes use of the different benchmark levels as well as annotations provided by user studies regarding the characteristics of the faces. We perform evaluation for a wide variety of image stylisation methods (both portrait-specific and general purpose, and also both traditional NPR approaches and neural style transfer) using the new benchmark dataset.

HoloGAN: Unsupervised learning of 3D representations from natural images

We propose a novel generative adversarial network (GAN) for the task of unsupervised learning of 3D representations from natural images. Most generative models rely on 2D kernels to generate images and make few assumptions about the 3D world. These models therefore tend to create blurry images or artefacts in tasks that require a strong 3D understanding, such as novel-view synthesis. HoloGAN instead learns a 3D representation of the world, and to render this representation in a realistic manner. Unlike other GANs, HoloGAN provides explicit control over the pose of generated objects through rigid-body transformations of the learnt 3D features. Our experiments show that using explicit 3D features enables HoloGAN to disentangle 3D pose and identity, which is further decomposed into shape and appearance, while still being able to generate images with similar or higher visual quality than other generative models. HoloGAN can be trained end-to-end from unlabelled 2D images only. Particularly, we do not require pose labels, 3D shapes, or multiple views of the same objects. This shows that HoloGAN is the first generative model that learns 3D representations from natural images in an entirely unsupervised manner.

RenderNet: A deep convolutional network for differentiable rendering from 3D shapes

Traditional computer graphics rendering pipeline is designed for procedurally generating 2D quality images from 3D shapes with high performance. The non-differentiability due to discrete operations such as visibility computation makes it hard to explicitly correlate rendering parameters and the resulting image, posing a significant challenge for inverse rendering tasks. Recent work on differentiable rendering achieves differentiability either by designing surrogate gradients for non-differentiable operations or via an approximate but differentiable renderer. These methods, however, are still limited when it comes to handling occlusion, and restricted to particular rendering effects. We present RenderNet, a differentiable rendering convolutional network with a novel projection unit that can render 2D images from 3D shapes. Spatial occlusion and shading calculation are automatically encoded in the network. Our experiments show that RenderNet can successfully learn to implement different shaders, and can be used in inverse rendering tasks to estimate shape, pose, lighting and texture from a single image.

Precomputed Real-Time Texture Synthesis with Markovian Generative Adversarial Networks

This paper proposes Markovian Generative Adversarial Networks (MGANs), a method for training generative neural networks for efficient texture synthesis. While deep neural network approaches have recently demonstrated remarkable results in terms of synthesis quality, they still come at considerable computational costs (minutes of run-time for low-res images). Our paper addresses this efficiency issue. Instead of a numerical deconvolution in previous work, we precompute a feed-forward, strided convolutional network that captures the feature statistics of Markovian patches and is able to directly generate outputs of arbitrary dimensions. Such network can directly decode brown noise to realistic texture, or photos to artistic paintings. With adversarial training, we obtain quality comparable to recent neural texture synthesis methods. As no optimization is required any longer at generation time, our run-time performance (0.25M pixel images at 25Hz) surpasses previous neural texture synthesizers by a significant margin (at least 500 times faster). We apply this idea to texture synthesis, style transfer, and video stylization.

Combining Markov Random Fields and Convolutional Neural Networks for Image Synthesis

This paper studies a combination of generative Markov random field (MRF) models and discriminatively trained deep convolutional neural networks (dCNNs) for synthesizing 2D images. The generative MRF acts on higher-levels of a dCNN feature pyramid, controling the image layout at an abstract level. We apply the method to both photographic and non-photo-realistic (artwork) synthesis tasks. The MRF regularizer prevents over-excitation artifacts and reduces implausible feature mixtures common to previous dCNN inversion approaches, permitting synthezing photographic content with increased visual plausibility. Unlike standard MRF-based texture synthesis, the combined system can both match and adapt local features with considerable variability, yielding results far out of reach of classic generative MRF methods.