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Deep generative models provide a promising approach to de novo 3D peptide design. Most of them jointly model the distributions of peptide's position, orientation, and conformation, attempting to simultaneously converge to the target pocket.…

Quantitative Methods · Quantitative Biology 2025-11-04 Dengdeng Huang , Shikui Tu

Large language models (LLMs) accelerate software development but often exhibit instability, non-determinism, and weak adherence to development discipline in unconstrained workflows. While test-driven development (TDD) provides a structured…

Software Engineering · Computer Science 2026-04-30 Tarlan Hasanli , Shahbaz Siddeeq , Bishwash Khanal , Pyry Kotilainen , Tommi Mikkonen , Pekka Abrahamsson

We combine concept-based neural networks with generative, flow-based classifiers into a novel, intrinsically explainable, exactly invertible approach to supervised learning. Prototypical neural networks, a type of concept-based neural…

Machine Learning · Computer Science 2024-07-18 Zachariah Carmichael , Timothy Redgrave , Daniel Gonzalez Cedre , Walter J. Scheirer

Recent studies suggest utilizing generative models instead of traditional auto-regressive algorithms for time series forecasting (TSF) tasks. These non-auto-regressive approaches involving different generative methods, including GAN,…

Machine Learning · Computer Science 2025-03-19 Jiangxuan Long , Zhao Song , Chiwun Yang

In this paper, we investigate code-integrated reasoning, where models generate code when necessary and integrate feedback by executing it through a code interpreter. To acquire this capability, models must learn when and how to use external…

Computation and Language · Computer Science 2025-06-02 Fei Bai , Yingqian Min , Beichen Zhang , Zhipeng Chen , Wayne Xin Zhao , Lei Fang , Zheng Liu , Zhongyuan Wang , Ji-Rong Wen

Flow Matching has emerged as a powerful framework for learning continuous transformations between distributions, enabling high-fidelity generative modeling. This work introduces Symmetrical Flow Matching (SymmFlow), a new formulation that…

Computer Vision and Pattern Recognition · Computer Science 2026-03-24 Francisco Caetano , Christiaan Viviers , Peter H. N. De With , Fons van der Sommen

We propose a novel type system for verifying that programs correctly implement constant-resource behavior. Our type system extends recent work on automatic amortized resource analysis (AARA), a set of techniques that automatically derive…

Programming Languages · Computer Science 2018-01-09 Van Chan Ngo , Mario Dehesa-Azuara , Matthew Fredrikson , Jan Hoffmann

We introduce a new compile-time notion of type subsumption based on type simulation. We show how to apply this static subsumption relation to support a more intuitive, object oriented approach to generic programming of reusable, high…

Programming Languages · Computer Science 2011-02-17 Wouter Kuijper , Michael Weber

Language Models (LMs) are increasingly being used for code generation, but ensuring the correctness of generated programs remains a significant challenge. Although imperfect code may be acceptable during software development with human…

Programming Languages · Computer Science 2025-08-25 Lingxiao Li , Salar Rahili , Yiwei Zhao

Interprocedural flow analysis can be used to eliminate otherwise unnecessary heap allocated objects (unboxing), and in previous work we have shown how to do so while maintaining correctness with respect to the garbage collector. In this…

Programming Languages · Computer Science 2015-03-20 Neal Glew , Leaf Petersen

The problem of automatically generating a computer program from some specification has been studied since the early days of AI. Recently, two competing approaches for automatic program learning have received significant attention: (1)…

Artificial Intelligence · Computer Science 2017-03-23 Jacob Devlin , Jonathan Uesato , Surya Bhupatiraju , Rishabh Singh , Abdel-rahman Mohamed , Pushmeet Kohli

Image retouching, aiming to regenerate the visually pleasing renditions of given images, is a subjective task where the users are with different aesthetic sensations. Most existing methods deploy a deterministic model to learn the…

Computer Vision and Pattern Recognition · Computer Science 2022-11-23 Haolin Wang , Jiawei Zhang , Ming Liu , Xiaohe Wu , Wangmeng Zuo

Foundational language models show a remarkable ability to learn new concepts during inference via context data. However, similar work for images lag behind. To address this challenge, we introduce FLoWN, a flow matching model that learns to…

Machine Learning · Computer Science 2025-04-22 Daniel Saragih , Deyu Cao , Tejas Balaji , Ashwin Santhosh

A line of work in planning uses LLM not to generate a plan, but to generate a formal representation in some planning language, which can be input into a symbolic solver to deterministically find a plan. While showing improved trust and…

Computation and Language · Computer Science 2025-10-08 Prabhu Prakash Kagitha , Bo Sun , Ishan Desai , Andrew Zhu , Cassie Huang , Manling Li , Ziyang Li , Li Zhang

Despite recent advancements in large language models (LLMs), their performance on complex reasoning problems requiring multi-step thinking and combining various skills is still limited. To address this, we propose a novel framework HDFlow…

Computation and Language · Computer Science 2024-09-27 Wenlin Yao , Haitao Mi , Dong Yu

Explicitly disentangling style and content in vision models remains challenging due to their semantic overlap and the subjectivity of human perception. Existing methods propose separation through generative or discriminative objectives, but…

Computer Vision and Pattern Recognition · Computer Science 2025-08-06 Pingchuan Ma , Xiaopei Yang , Yusong Li , Ming Gui , Felix Krause , Johannes Schusterbauer , Björn Ommer

Large language models generate code one token at a time. Their autoregressive generation process lacks the feedback of observing the program's output. Training LLMs to suggest edits directly can be challenging due to the scarcity of rich…

Artificial Intelligence · Computer Science 2024-06-03 Shreyas Kapur , Erik Jenner , Stuart Russell

LLMs are widely used in complex AI applications. These applications underscore the need for LLM outputs to adhere to a specific format, for their integration with other components in the systems. Typically the format rules e.g., for data…

Machine Learning · Computer Science 2024-11-07 Shubham Ugare , Tarun Suresh , Hangoo Kang , Sasa Misailovic , Gagandeep Singh

Flow matching models have emerged as a powerful method for generative modeling on domains like images or videos, and even on irregular or unstructured data like 3D point clouds or even protein structures. These models are commonly trained…

Machine Learning · Computer Science 2025-05-30 Yuyang Wang , Anurag Ranjan , Josh Susskind , Miguel Angel Bautista

Type migration is the process of adding types to untyped code to gain assurance at compile time. TypeScript and other gradual type systems facilitate type migration by allowing programmers to start with imprecise types and gradually…

Software Engineering · Computer Science 2023-07-12 Ming-Ho Yee , Arjun Guha