PepTune: De Novo Generation of Therapeutic Peptides with Multi-Objective-Guided Discrete Diffusion

Peptide therapeutics, a major class of medicines, have achieved remarkable success across diseases such as diabetes and cancer, with landmark examples such as GLP-1 receptor agonists revolutionizing the treatment of type-2 diabetes and obesity. Despite their success, designing peptides that satisfy multiple conflicting objectives, such as target binding affinity, solubility, and membrane permeability, remains a major challenge. Classical drug development and structure-based design are ineffective for such tasks, as they fail to optimize global functional properties critical for therapeutic efficacy. Existing generative frameworks are largely limited to continuous spaces, unconditioned outputs, or single-objective guidance, making them unsuitable for discrete sequence optimization across multiple properties. To address this, we present PepTune, a multi-objective discrete diffusion model for the simultaneous generation and optimization of therapeutic peptide SMILES. Built on the Masked Discrete Language Model (MDLM) framework, PepTune ensures valid peptide structures with state-dependent masking schedules and penalty-based objectives. To guide the diffusion process, we propose a Monte Carlo Tree Search (MCTS)-based strategy that balances exploration and exploitation to iteratively refine Pareto-optimal sequences. MCTS integrates classifier-based rewards with search-tree expansion, overcoming gradient estimation challenges and data sparsity inherent to discrete spaces. Using PepTune, we generate diverse, chemically-modified peptides optimized for multiple therapeutic properties, including target binding affinity, membrane permeability, solubility, hemolysis, and non-fouling characteristics on various disease-relevant targets. In total, our results demonstrate that MCTS-guided discrete diffusion is a powerful and modular approach for multi-objective sequence design in discrete state spaces.

Extreme Image Compression using Fine-tuned VQGAN Models

Recent advances in generative compression methods have demonstrated remarkable progress in enhancing the perceptual quality of compressed data, especially in scenarios with low bitrates. Nevertheless, their efficacy and applicability in achieving extreme compression ratios ($<0.1$ bpp) still remain constrained. In this work, we propose a simple yet effective coding framework by introducing vector quantization (VQ)-based generative models into the image compression domain. The main insight is that the codebook learned by the VQGAN model yields strong expressive capacity, facilitating efficient compression of continuous information in the latent space while maintaining reconstruction quality. Specifically, an image can be represented as VQ-indices by finding the nearest codeword, which can be encoded using lossless compression methods into bitstreams. We then propose clustering a pre-trained large-scale codebook into smaller codebooks using the K-means algorithm. This enables images to be represented as diverse ranges of VQ-indices maps, resulting in variable bitrates and different levels of reconstruction quality. Extensive qualitative and quantitative experiments on various datasets demonstrate that the proposed framework outperforms the state-of-the-art codecs in terms of perceptual quality-oriented metrics and human perception under extremely low bitrates.

INO at Factify 2: Structure Coherence based Multi-Modal Fact Verification

This paper describes our approach to the multi-modal fact verification (FACTIFY) challenge at AAAI2023. In recent years, with the widespread use of social media, fake news can spread rapidly and negatively impact social security. Automatic claim verification becomes more and more crucial to combat fake news. In fact verification involving multiple modal data, there should be a structural coherence between claim and document. Therefore, we proposed a structure coherence-based multi-modal fact verification scheme to classify fake news. Our structure coherence includes the following four aspects: sentence length, vocabulary similarity, semantic similarity, and image similarity. Specifically, CLIP and Sentence BERT are combined to extract text features, and ResNet50 is used to extract image features. In addition, we also extract the length of the text as well as the lexical similarity. Then the features were concatenated and passed through the random forest classifier. Finally, our weighted average F1 score has reached 0.8079, achieving 2nd place in FACTIFY2.