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 Deep Learning


APIGen-MT: Agentic PIpeline for Multi-Turn Data Generation via Simulated Agent-Human Interplay

Neural Information Processing Systems

Training effective AI agents for multi-turn interactions requires high-quality data that captures realistic human-agent dynamics, yet such data is scarce and expensive to collect manually. We introduce APIGen-MT, a two-phase framework that generates verifiable and diverse multi-turn agent data. In the first phase, our agentic pipeline produces detailed task blueprints with ground-truth actions, leveraging a committee of LLM reviewers and iterative feedback loops. These blueprints are then transformed into complete interaction trajectories through simulated humanagent interplay. We train a family of models--the xLAM-2-fc-rseries with sizes ranging from 1B to 70B parameters. Our models outperform frontier models such as GPT-4o and Claude 3.5 on τ-bench and BFCL benchmarks, with the smaller models surpassing their larger counterparts, particularly in multi-turn settings, while maintaining superior consistency across multiple trials. Comprehensive experiments demonstrate that our verified blueprint-to-details approach yields highquality training data, enabling the development of more reliable, efficient, and capable agents. We open-source both the synthetic data collected and the trained xLAM-2-fc-rmodels to advance research in AI agents.


ShapeCraft: LLMAgents for Structured, Textured and Interactive 3DModeling

Neural Information Processing Systems

However, existing methods often yield unstructured meshes and exhibit poor interactivity, making them impractical for artistic workflows. To address these limitations, we represent 3D assets as shape programs and introduce ShapeCraft, a novel multi-agent framework for text-to-3D generation. At its core, we propose a Graph-based Procedural Shape (GPS) representation that decomposes complex natural language into a structured graph of sub-tasks, thereby facilitating accurate LLM comprehension and interpretation of spatial relationships and semantic shape details. Specifically, LLM agents hierarchically parse user input to initialize GPS, then iteratively refine procedural modeling and painting to produce structured, textured, and interactive 3D assets. Qualitative and quantitative experiments demonstrate ShapeCraft's superior performance in generating geometrically accurate and semantically rich 3D assets compared to existing LLM-based agents. We further show the versatility of ShapeCraft through examples of animated and user-customized editing, highlighting its potential for broader interactive applications.


SMMILE: An Expert-Driven Benchmark for Multimodal Medical In-Context Learning

Neural Information Processing Systems

Multimodal in-context learning (ICL) remains underexplored despite significant potential for domains such as medicine. Clinicians routinely encounter diverse, specialized tasks requiring adaptation from limited examples, such as drawing insights from a few relevant prior cases or considering a constrained set of differential diagnoses. While multimodal large language models (MLLMs) have shown advances in medical visual question answering (VQA), their ability to learn multimodal tasks from context is largely unknown. We introduce SMMILE, the first expert-driven multimodal ICL benchmark for medical tasks.


5dd3a72bc18a1296ff6070fe4e2be3d0-Paper-Conference.pdf

Neural Information Processing Systems

Recent advancements in large reasoning models (LRMs) have introduced an intermediate "thinking" process prior to generating final answers, improving their reasoning capabilities on complex downstream tasks. However, the potential of LRMs as evaluators for machine translation (MT) quality remains underexplored. We provides the first systematic analysis of LRM-as-a-judge in MT evaluation. We identify key challenges, revealing LRMs require tailored evaluation materials, tend to "overthink" simpler instances and have issues with scoring mechanisms leading to overestimation. To address these, we propose to calibrate LRM thinking by training them on synthetic, human-like thinking trajectories. Our experiments on WMT24 Metrics benchmarks demonstrate that this approach largely reduces thinking budgets by 35x while concurrently improving evaluation performance across different LRM scales from 7B to 32B (e.g., R1-Distill-Qwen-7B achieves a +8.7 correlation point improvement). These findings highlight the potential of efficiently calibrated LRMs to advance fine-grained automatic MT evaluation.


Adaptable Safe Policy Learning from Multi-task Data with Constraint Prioritized Decision Transformer

Neural Information Processing Systems

Learning safe reinforcement learning (RL) policies from offline multi-task datasets without direct environmental interaction is crucial for efficient and reliable deployment of RL agents. Benefiting from their scalability and strong in-context learning capabilities, recent approaches attempt to utilize Decision Transformer (DT) architectures for offline safe RL, demonstrating promising adaptability across varying safety budgets. However, these methods primarily focus on single-constraint scenarios and struggle with diverse constraint configurations across multiple tasks. Additionally, their reliance on heuristically defined Return-To-Go (RTG) inputs limits flexibility and reduces learning efficiency, particularly in complex multi-task scenarios. To address these limitations, we propose CoPDT, a novel DT-based framework designed to enhance adaptability to diverse constraints (i.e., cost functions) and varying budgets. Specifically, CoPDT introduces a constraint prioritized prompt encoder, which leverages sparse binary cost signals to accurately identify constraints, and a constraint prioritized Return-To-Go (CPRTG) token mechanism, which dynamically generates RTGs based on identified constraints and corresponding safety budgets. Extensive experiments on the OSRL benchmark demonstrate that CoPDT achieves superior efficiency and significantly enhanced safety compliance across diverse multi-task scenarios, surpassing state-of-the-art DT-based methods by satisfying safety constraints in more than twice as many tasks.


ForensicHub: AUnified Benchmark & Codebase for All-Domain Fake Image Detection and Localization

Neural Information Processing Systems

The field of Fake Image Detection and Localization (FIDL) is highly fragmented, encompassing four domains: deepfake detection (Deepfake), image manipulation detection and localization (IMDL), artificial intelligence-generated image detection (AIGC), and document image manipulation localization (Doc). Although individual benchmarks exist in some domains, a unified benchmark for all domains in FIDL remains blank.


5d7e8991f75f3e5af14edf7aebb5be5e-Paper-Conference.pdf

Neural Information Processing Systems

Theoretical efforts to prove advantages of Transformers in comparison with classical architectures such as feedforward and recurrent neural networks have mostly focused on representational power. In this work, we take an alternative perspective and prove that even with infinite compute, feedforward and recurrent networks may suffer from larger sample complexity compared to Transformers, as the latter can adapt to a form of dynamic sparsity. Specifically, we consider a sequence-tosequence data generating model on sequences of length N, where the output at each position only depends on q N relevant tokens, and the positions of these tokens are described in the input prompt. We prove that a single-layer Transformer can learn this model if and only if its number of attention heads is at least q, in which case it achieves a sample complexity almost independent of N, while recurrent networks require NΩ(1) samples on the same problem. If we simplify this model, recurrent networks may achieve a complexity almost independent of N, while feedforward networks still require N samples. Our proposed sparse retrieval model illustrates a natural hierarchy in sample complexity across these architectures.


HEROFILTER: Adaptive Spectral Graph Filter for Varying Heterophilic Relations

Neural Information Processing Systems

Graph heterophily, where connected nodes have different labels, has attracted significant interest recently. Most existing works adopt a simplified approach using low-pass filters for homophilic graphs and high-pass filters for heterophilic graphs. However, we discover that the relationship between graph heterophily and spectral filters is more complex - the optimal filter response varies across frequency components and does not follow a strict monotonic correlation with heterophily degree. This finding challenges conventional fixed filter designs and suggests the need for adaptive filtering to preserve expressiveness in graph embeddings. Formally, natural questions arise: Given a heterophilic graph G, how and to what extent will the varying heterophily degree of G affect the performance of GNNs? How can we design adaptive filters to fit those varying heterophilic connections? Our theoretical analysis reveals that the average frequency response of GNNs and graph heterophily degree do not follow a strict monotonic correlation, necessitating adaptive graph filters to guarantee good generalization performance. Hence, we propose HEROFILTER, a simple yet powerful GNN, which extracts information across the heterophily spectrum and combines salient representations through adaptive mixing. HEROFILTER's superior performance achieves up to 9.2% accuracy improvement over leading baselines across homophilic and heterophilic graphs.


Epistemic Uncertainty Estimation in Regression Ensemble Models with Pairwise Epistemic Estimators Lucas Berry, David Meger Department of Computer Science McGill University lucas.berry@mail.mcgill.ca

Neural Information Processing Systems

This work introduces a novel approach, Pairwise Epistemic Estimators (PairEpEsts), for epistemic uncertainty estimation in ensemble models for regression tasks using pairwise-distance estimators (PaiDEs). By utilizing the pairwise distances between model components, PaiDEs establish bounds on entropy. We leverage this capability to enhance the performance of Bayesian Active Learning by Disagreement (BALD). Notably, unlike sample-based Monte Carlo estimators, PairEpEsts can estimate epistemic uncertainty up to 100 times faster and demonstrate superior performance in higher dimensions. To validate our approach, we conducted a varied series of regression experiments on commonly used benchmarks: 1D sinusoidal data, Pendulum, Hopper, Ant, and Humanoid, demonstrating PairEpEsts' advantage over baselines in high-dimensional regression active learning.


scSplit: Bringing Severity Cognizance to Image Decomposition in Fluorescence Microscopy

Neural Information Processing Systems

Fluorescence microscopy, while being a key driver for progress in the life sciences, is also subject to technical limitations. To overcome them, computational multiplexing techniques have recently been proposed, which allow multiple cellular structures to be captured in a single image and later be unmixed. Existing image decomposition methods are trained on a set of superimposed input images and the respective unmixed target images. It is critical to note that the relative strength (mixing ratio) of the superimposed images for a given input is a priori unknown. However, existing methods are trained on a fixed intensity ratio of superimposed inputs, making them not cognizant of the range of relative intensities that can occur in fluorescence microscopy.