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Dec 30

Predicting and generating antibiotics against future pathogens with ApexOracle

Antimicrobial resistance (AMR) is escalating and outpacing current antibiotic development. Thus, discovering antibiotics effective against emerging pathogens is becoming increasingly critical. However, existing approaches cannot rapidly identify effective molecules against novel pathogens or emerging drug-resistant strains. Here, we introduce ApexOracle, an artificial intelligence (AI) model that both predicts the antibacterial potency of existing compounds and designs de novo molecules active against strains it has never encountered. Departing from models that rely solely on molecular features, ApexOracle incorporates pathogen-specific context through the integration of molecular features captured via a foundational discrete diffusion language model and a dual-embedding framework that combines genomic- and literature-derived strain representations. Across diverse bacterial species and chemical modalities, ApexOracle consistently outperformed state-of-the-art approaches in activity prediction and demonstrated reliable transferability to novel pathogens with little or no antimicrobial data. Its unified representation-generation architecture further enables the in silico creation of "new-to-nature" molecules with high predicted efficacy against priority threats. By pairing rapid activity prediction with targeted molecular generation, ApexOracle offers a scalable strategy for countering AMR and preparing for future infectious-disease outbreaks.

  • 4 authors
·
Jul 10

Driving with Prior Maps: Unified Vector Prior Encoding for Autonomous Vehicle Mapping

High-Definition Maps (HD maps) are essential for the precise navigation and decision-making of autonomous vehicles, yet their creation and upkeep present significant cost and timeliness challenges. The online construction of HD maps using on-board sensors has emerged as a promising solution; however, these methods can be impeded by incomplete data due to occlusions and inclement weather. This paper proposes the PriorDrive framework to addresses these limitations by harnessing the power of prior maps, significantly enhancing the robustness and accuracy of online HD map construction. Our approach integrates a variety of prior maps, such as OpenStreetMap's Standard Definition Maps (SD maps), outdated HD maps from vendors, and locally constructed maps from historical vehicle data. To effectively encode this prior information into online mapping models, we introduce a Hybrid Prior Representation (HPQuery) that standardizes the representation of diverse map elements. At the core of PriorDrive is the Unified Vector Encoder (UVE), which employs hybrid prior embedding and a dual encoding mechanism to process vector data. Furthermore, we propose a segment-level and point-level pre-training strategy that enables the UVE to learn the prior distribution of vector data, thereby improving the encoder's generalizability and performance. Through extensive testing on the nuScenes, Argoverse 2 and OpenLane-V2, we demonstrate that PriorDrive is highly compatible with various online mapping models and substantially improves map prediction capabilities. The integration of prior maps through the PriorDrive framework offers a robust solution to the challenges of single-perception data, paving the way for more reliable autonomous vehicle navigation.

  • 5 authors
·
Sep 9, 2024 1

Speaking in Words, Thinking in Logic: A Dual-Process Framework in QA Systems

Recent advances in large language models (LLMs) have significantly enhanced question-answering (QA) capabilities, particularly in open-domain contexts. However, in closed-domain scenarios such as education, healthcare, and law, users demand not only accurate answers but also transparent reasoning and explainable decision-making processes. While neural-symbolic (NeSy) frameworks have emerged as a promising solution, leveraging LLMs for natural language understanding and symbolic systems for formal reasoning, existing approaches often rely on large-scale models and exhibit inefficiencies in translating natural language into formal logic representations. To address these limitations, we introduce Text-JEPA (Text-based Joint-Embedding Predictive Architecture), a lightweight yet effective framework for converting natural language into first-order logic (NL2FOL). Drawing inspiration from dual-system cognitive theory, Text-JEPA emulates System 1 by efficiently generating logic representations, while the Z3 solver operates as System 2, enabling robust logical inference. To rigorously evaluate the NL2FOL-to-reasoning pipeline, we propose a comprehensive evaluation framework comprising three custom metrics: conversion score, reasoning score, and Spearman rho score, which collectively capture the quality of logical translation and its downstream impact on reasoning accuracy. Empirical results on domain-specific datasets demonstrate that Text-JEPA achieves competitive performance with significantly lower computational overhead compared to larger LLM-based systems. Our findings highlight the potential of structured, interpretable reasoning frameworks for building efficient and explainable QA systems in specialized domains.

  • 8 authors
·
Jul 27

DiscRec: Disentangled Semantic-Collaborative Modeling for Generative Recommendation

Generative recommendation is emerging as a powerful paradigm that directly generates item predictions, moving beyond traditional matching-based approaches. However, current methods face two key challenges: token-item misalignment, where uniform token-level modeling ignores item-level granularity that is critical for collaborative signal learning, and semantic-collaborative signal entanglement, where collaborative and semantic signals exhibit distinct distributions yet are fused in a unified embedding space, leading to conflicting optimization objectives that limit the recommendation performance. To address these issues, we propose DiscRec, a novel framework that enables Disentangled Semantic-Collaborative signal modeling with flexible fusion for generative Recommendation.First, DiscRec introduces item-level position embeddings, assigned based on indices within each semantic ID, enabling explicit modeling of item structure in input token sequences.Second, DiscRec employs a dual-branch module to disentangle the two signals at the embedding layer: a semantic branch encodes semantic signals using original token embeddings, while a collaborative branch applies localized attention restricted to tokens within the same item to effectively capture collaborative signals. A gating mechanism subsequently fuses both branches while preserving the model's ability to model sequential dependencies. Extensive experiments on four real-world datasets demonstrate that DiscRec effectively decouples these signals and consistently outperforms state-of-the-art baselines. Our codes are available on https://github.com/Ten-Mao/DiscRec.

  • 6 authors
·
Jun 18

TimeDRL: Disentangled Representation Learning for Multivariate Time-Series

Multivariate time-series data in numerous real-world applications (e.g., healthcare and industry) are informative but challenging due to the lack of labels and high dimensionality. Recent studies in self-supervised learning have shown their potential in learning rich representations without relying on labels, yet they fall short in learning disentangled embeddings and addressing issues of inductive bias (e.g., transformation-invariance). To tackle these challenges, we propose TimeDRL, a generic multivariate time-series representation learning framework with disentangled dual-level embeddings. TimeDRL is characterized by three novel features: (i) disentangled derivation of timestamp-level and instance-level embeddings from patched time-series data using a [CLS] token strategy; (ii) utilization of timestamp-predictive and instance-contrastive tasks for disentangled representation learning, with the former optimizing timestamp-level embeddings with predictive loss, and the latter optimizing instance-level embeddings with contrastive loss; and (iii) avoidance of augmentation methods to eliminate inductive biases, such as transformation-invariance from cropping and masking. Comprehensive experiments on 6 time-series forecasting datasets and 5 time-series classification datasets have shown that TimeDRL consistently surpasses existing representation learning approaches, achieving an average improvement of forecasting by 58.02% in MSE and classification by 1.48% in accuracy. Furthermore, extensive ablation studies confirmed the relative contribution of each component in TimeDRL's architecture, and semi-supervised learning evaluations demonstrated its effectiveness in real-world scenarios, even with limited labeled data. The code is available at https://github.com/blacksnail789521/TimeDRL.

  • 5 authors
·
Dec 7, 2023

GOAT-TTS: LLM-based Text-To-Speech Generation Optimized via A Dual-Branch Architecture

While large language models (LLMs) have revolutionized text-to-speech (TTS) synthesis through discrete tokenization paradigms, current architectures exhibit fundamental tensions between three critical dimensions: 1) irreversible loss of acoustic characteristics caused by quantization of speech prompts; 2) stringent dependence on precisely aligned prompt speech-text pairs that limit real-world deployment; and 3) catastrophic forgetting of the LLM's native text comprehension during optimization for speech token generation. To address these challenges, we propose an LLM-based text-to-speech Generation approach Optimized via a novel dual-branch ArchiTecture (GOAT-TTS). Our framework introduces two key innovations: (1) The modality-alignment branch combines a speech encoder and projector to capture continuous acoustic embeddings, enabling bidirectional correlation between paralinguistic features (language, timbre, emotion) and semantic text representations without transcript dependency; (2) The speech-generation branch employs modular fine-tuning on top-k layers of an LLM for speech token prediction while freezing the bottom-k layers to preserve foundational linguistic knowledge. Moreover, multi-token prediction is introduced to support real-time streaming TTS synthesis. Experimental results demonstrate that our GOAT-TTS achieves performance comparable to state-of-the-art TTS models while validating the efficacy of synthesized dialect speech data.

  • 10 authors
·
Apr 14

Multi-view Video-Pose Pretraining for Operating Room Surgical Activity Recognition

Understanding the workflow of surgical procedures in complex operating rooms requires a deep understanding of the interactions between clinicians and their environment. Surgical activity recognition (SAR) is a key computer vision task that detects activities or phases from multi-view camera recordings. Existing SAR models often fail to account for fine-grained clinician movements and multi-view knowledge, or they require calibrated multi-view camera setups and advanced point-cloud processing to obtain better results. In this work, we propose a novel calibration-free multi-view multi-modal pretraining framework called Multiview Pretraining for Video-Pose Surgical Activity Recognition PreViPS, which aligns 2D pose and vision embeddings across camera views. Our model follows CLIP-style dual-encoder architecture: one encoder processes visual features, while the other encodes human pose embeddings. To handle the continuous 2D human pose coordinates, we introduce a tokenized discrete representation to convert the continuous 2D pose coordinates into discrete pose embeddings, thereby enabling efficient integration within the dual-encoder framework. To bridge the gap between these two modalities, we propose several pretraining objectives using cross- and in-modality geometric constraints within the embedding space and incorporating masked pose token prediction strategy to enhance representation learning. Extensive experiments and ablation studies demonstrate improvements over the strong baselines, while data-efficiency experiments on two distinct operating room datasets further highlight the effectiveness of our approach. We highlight the benefits of our approach for surgical activity recognition in both multi-view and single-view settings, showcasing its practical applicability in complex surgical environments. Code will be made available at: https://github.com/CAMMA-public/PreViPS.

  • 6 authors
·
Feb 19