相关论文: Technical report: Improving the properties of mole…

We present Turbo-Sim, a generalised autoencoder framework derived from principles of information theory that can be used as a generative model. By maximising the mutual information between the input and the output of both the encoder and…

Generative molecular optimization aims to design molecules with properties surpassing those of existing compounds. However, such candidates are rare and expensive to evaluate, yielding sample efficiency essential. Additionally, surrogate…

Generative models have demonstrated substantial promise in Natural Language Processing (NLP) and have found application in designing molecules, as seen in General Pretrained Transformer (GPT) models. In our efforts to develop such a tool…

This paper addresses the dual challenge of improving anomaly detection and signal integrity in high-speed dynamic random access memory signals. To achieve this, we propose a joint training framework that integrates an autoencoder with a…

The "end-to-end" label for LLMs is a misnomer. In practice, they depend on a non-differentiable decoding process that requires laborious, hand-tuning of hyperparameters like temperature and top-p. This paper introduces AutoDeco, a novel…

Speculative decoding can substantially accelerate LLM inference, but realizing its benefits in practice is challenging due to evolving workloads and system-level constraints. We present TIDE (Temporal Incremental Draft Engine), a…

Recent advancements in large language models (LLMs) have demonstrated impressive performance in molecular generation, which offers potential to accelerate drug discovery. However, the current LLMs overlook a critical requirement for drug…

Despite the crucial importance of accelerating text generation in large language models (LLMs) for efficiently producing content, the sequential nature of this process often leads to high inference latency, posing challenges for real-time…

Large language models and large multimodal models (LLMs and LMMs) deliver strong generative performance but suffer from slow decoding, a problem that becomes more severe when handling visual inputs, whose sequences typically contain many…

This paper proposes a latent prompt Transformer model for solving challenging optimization problems such as molecule design, where the goal is to find molecules with optimal values of a target chemical or biological property that can be…

In Masked Image Modeling (MIM), two primary methods exist: Pixel MIM and Latent MIM, each utilizing different reconstruction targets, raw pixels and latent representations, respectively. Pixel MIM tends to capture low-level visual details…

Geometric representation-conditioned molecule generation provides an effective paradigm that decouples molecule representation modeling from structure generation. By decoupling molecule generation into two stages-first generating a…

Speculative decoding accelerates LLM inference by drafting multiple tokens and verifying them in parallel with the target model. However, its practical speedup is constrained by the trade-off between draft quality and drafting cost:…

Generative modeling of high-dimensional data is a key problem in machine learning. Successful approaches include latent variable models and autoregressive models. The complementary strengths of these approaches, to model global and local…

Neural methods of molecule property prediction require efficient encoding of structure and property relationship to be accurate. Recent work using graph algorithms shows limited generalization in the latent molecule encoding space. We build…

Recent advances in artificial intelligence have propelled the development of innovative computational materials modeling and design techniques. Generative deep learning models have been used for molecular representation, discovery, and…

In this paper, we treat the image generation task using an autoencoder, a representative latent model. Unlike many studies regularizing the latent variable's distribution by assuming a manually specified prior, we approach the image…

With the emergence of diffusion models as a frontline generative model, many researchers have proposed molecule generation techniques with conditional diffusion models. However, the unavoidable discreteness of a molecule makes it difficult…

Molecular design based on generative models, such as variational autoencoders (VAEs), has become increasingly popular in recent years due to its efficiency for exploring high-dimensional molecular space to identify molecules with desired…

We introduce LlamaGen, a new family of image generation models that apply original ``next-token prediction'' paradigm of large language models to visual generation domain. It is an affirmative answer to whether vanilla autoregressive…