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 Deep Learning


NaviAgent: Bilevel Planning on Tool Navigation Graph for Large-Scale Orchestration

arXiv.org Artificial Intelligence

Large language models (LLMs) have recently demonstrated the ability to act as function call agents by invoking external tools, enabling them to solve tasks beyond their static knowledge. However, existing agents typically call tools step by step at a time without a global view of task structure. As tools depend on each other, this leads to error accumulation and limited scalability, particularly when scaling to thousands of tools. To address these limitations, we propose NaviAgent, a novel bilevel architecture that decouples task planning from tool execution through graph-based modeling of the tool ecosystem. At the task-planning level, the LLM-based agent decides whether to respond directly, clarify user intent, invoke a toolchain, or execute tool outputs, ensuring broad coverage of interaction scenarios independent of inter-tool complexity. At the execution level, a continuously evolving Tool World Navigation Model (TWNM) encodes structural and behavioral relations among tools, guiding the agent to generate scalable and robust invocation sequences. By incorporating feedback from real tool interactions, NaviAgent supports closed-loop optimization of planning and execution, moving beyond tool calling toward adaptive navigation of large-scale tool ecosystems. Experiments show that NaviAgent achieves the best task success rates across models and tasks, and integrating TWMN further boosts performance by up to 17 points on complex tasks, underscoring its key role in toolchain orchestration.


Building Trustworthy AI by Addressing its 16+2 Desiderata with Goal-Directed Commonsense Reasoning

arXiv.org Artificial Intelligence

Current advances in AI and its applicability have highlighted the need to ensure its trustworthiness for legal, ethical, and even commercial reasons. Sub-symbolic machine learning algorithms, such as the LLMs, simulate reasoning but hallucinate and their decisions cannot be explained or audited (crucial aspects for trustworthiness). On the other hand, rule-based reasoners, such as Cyc, are able to provide the chain of reasoning steps but are complex and use a large number of reasoners. We propose a middle ground using s(CASP), a goal-directed constraint-based answer set programming reasoner that employs a small number of mechanisms to emulate reliable and explainable human-style commonsense reasoning. In this paper, we explain how s(CASP) supports the 16 desiderata for trustworthy AI introduced by Doug Lenat and Gary Marcus (2023), and two additional ones: inconsistency detection and the assumption of alternative worlds. To illustrate the feasibility and synergies of s(CASP), we present a range of diverse applications, including a conversational chatbot and a virtually embodied reasoner.


PPDiff: Diffusing in Hybrid Sequence-Structure Space for Protein-Protein Complex Design

arXiv.org Artificial Intelligence

Designing protein-binding proteins with high affinity is critical in biomedical research and biotechnology. Despite recent advancements targeting specific proteins, the ability to create high-affinity binders for arbitrary protein targets on demand, without extensive rounds of wet-lab testing, remains a significant challenge. Here, we introduce PPDiff, a diffusion model to jointly design the sequence and structure of binders for arbitrary protein targets in a non-autoregressive manner. PPDiffbuilds upon our developed Sequence Structure Interleaving Network with Causal attention layers (SSINC), which integrates interleaved self-attention layers to capture global amino acid correlations, k-nearest neighbor (kNN) equivariant graph layers to model local interactions in three-dimensional (3D) space, and causal attention layers to simplify the intricate interdependencies within the protein sequence. To assess PPDiff, we curate PPBench, a general protein-protein complex dataset comprising 706,360 complexes from the Protein Data Bank (PDB). The model is pretrained on PPBenchand finetuned on two real-world applications: target-protein mini-binder complex design and antigen-antibody complex design. PPDiffconsistently surpasses baseline methods, achieving success rates of 50.00%, 23.16%, and 16.89% for the pretraining task and the two downstream applications, respectively. The code, data and models are available at https://github.com/JocelynSong/PPDiff.


RADAR: Benchmarking Language Models on Imperfect Tabular Data

arXiv.org Artificial Intelligence

Language models (LMs) are increasingly being deployed to perform autonomous data analyses. However, their data awareness -- the ability to recognize, reason over, and appropriately handle data artifacts such as missing values, outliers, and logical inconsistencies -- remains underexplored. These artifacts are especially common in real-world tabular data and, if mishandled, can significantly compromise the validity of analytical conclusions. To address this gap, we present RADAR, a benchmark for systematically evaluating data-aware reasoning on tabular data. We develop a framework to simulate data artifacts via programmatic perturbations to enable targeted evaluation of model behavior. RADAR comprises 2980 table query pairs, grounded in real-world data spanning 9 domains and 5 data artifact types. In addition to evaluating artifact handling, RADAR systematically varies table size to study how reasoning performance holds when increasing table size. Our evaluation reveals that, despite decent performance on tables without data artifacts, frontier models degrade significantly when data artifacts are introduced, exposing critical gaps in their capacity for robust, data-aware analysis. Designed to be flexible and extensible, RADAR supports diverse perturbation types and controllable table sizes, offering a valuable resource for advancing tabular reasoning.


DeepVideo-R1: Video Reinforcement Fine-Tuning via Difficulty-aware Regressive GRPO

arXiv.org Artificial Intelligence

Recent works have demonstrated the effectiveness of reinforcement learning (RL)-based post-training for enhancing the reasoning capabilities of large language models (LLMs). In particular, Group Relative Policy Optimization (GRPO) has shown impressive success using a PPO-style reinforcement algorithm with group-normalized rewards. However, the effectiveness of GRPO in Video Large Language Models (VideoLLMs) has still been less studyed. In this paper, we explore GRPO and identify two problems that deteriorate the effective learning: (1) reliance on safeguards, and (2) vanishing advantage. To mitigate these challenges, we propose DeepVideo-R1, a video large language model trained with Reg-GRPO (Regressive GRPO) and difficulty-aware data augmentation. Reg-GRPO reformulates the GRPO loss function into a regression task that directly predicts the advantage in GRPO, eliminating the need for safeguards such as the clipping and min functions. It directly aligns the model with advantages, providing guidance to prefer better ones. The difficulty-aware data augmentation strategy augments input prompts/videos to locate the difficulty of samples at solvable difficulty levels, enabling diverse reward signals. Our experimental results show that our approach significantly improves video reasoning performance across multiple benchmarks.


GAIA: A Foundation Model for Operational Atmospheric Dynamics

arXiv.org Artificial Intelligence

We introduce GAIA (Geospatial Artificial Intelligence for Atmospheres), a hybrid self-supervised geospatial foundation model that fuses Masked Autoencoders (MAE) with self-distillation with no labels (DINO) to generate semantically rich representations from global geostationary satellite imagery. Pre-trained on 15 years of globally-merged infrared observations (2001-2015), GAIA learns disentangled representations that capture atmospheric dynamics rather than trivial diurnal patterns, as evidenced by distributed principal component structure and temporal coherence analysis. We demonstrate robust reconstruction capabilities across varying data availability (30-95% masking), achieving superior gap-filling performance on real missing data patterns. When transferred to downstream tasks, GAIA consistently outperforms an MAE-only baseline: improving atmospheric river segmentation (F1: 0.58 vs 0.52), enhancing tropical cyclone detection (storm-level recall: 81% vs 75%, early detection: 29% vs 17%), and maintaining competitive precipitation estimation performance. Analysis reveals that GAIA's hybrid objectives encourage learning of spatially coherent, object-centric features distributed across multiple principal components rather than concentrated representations focused on reconstruction. This work demonstrates that combining complementary self-supervised objectives yields more transferable representations for diverse atmospheric modeling tasks. Model weights and code are available at: https://huggingface.co/bcg-usra-nasa-gaia/GAIA-v1.


Scaling Diffusion Transformers Efficiently via $ฮผ$P

arXiv.org Artificial Intelligence

Diffusion Transformers have emerged as the foundation for vision generative models, but their scalability is limited by the high cost of hyperparameter (HP) tuning at large scales. Recently, Maximal Update Parametrization ($ฮผ$P) was proposed for vanilla Transformers, which enables stable HP transfer from small to large language models, and dramatically reduces tuning costs. However, it remains unclear whether $ฮผ$P of vanilla Transformers extends to diffusion Transformers, which differ architecturally and objectively. In this work, we generalize standard $ฮผ$P to diffusion Transformers and validate its effectiveness through large-scale experiments. First, we rigorously prove that $ฮผ$P of mainstream diffusion Transformers, including U-ViT, DiT, PixArt-$ฮฑ$, and MMDiT, aligns with that of the vanilla Transformer, enabling the direct application of existing $ฮผ$P methodologies. Leveraging this result, we systematically demonstrate that DiT-$ฮผ$P enjoys robust HP transferability. Notably, DiT-XL-2-$ฮผ$P with transferred learning rate achieves 2.9 times faster convergence than the original DiT-XL-2. Finally, we validate the effectiveness of $ฮผ$P on text-to-image generation by scaling PixArt-$ฮฑ$ from 0.04B to 0.61B and MMDiT from 0.18B to 18B. In both cases, models under $ฮผ$P outperform their respective baselines while requiring small tuning cost, only 5.5% of one training run for PixArt-$ฮฑ$ and 3% of consumption by human experts for MMDiT-18B. These results establish $ฮผ$P as a principled and efficient framework for scaling diffusion Transformers.


Reinforcing the Diffusion Chain of Lateral Thought with Diffusion Language Models

arXiv.org Artificial Intelligence

We introduce the Diffusion Chain of Lateral Thought (DCoLT), a reasoning framework for diffusion language models. DCoLT treats each intermediate step in the reverse diffusion process as a latent "thinking" action and optimizes the entire reasoning trajectory to maximize the reward on the correctness of the final answer with outcome-based Reinforcement Learning (RL). Unlike traditional Chain-of-Thought (CoT) methods that follow a causal, linear thinking process, DCoLT allows bidirectional, non-linear reasoning with no strict rule on grammatical correctness amid its intermediate steps of thought. We implement DCoLT on two representative Diffusion Language Models (DLMs). First, we choose SEDD as a representative continuous-time discrete diffusion model, where its concrete score derives a probabilistic policy to maximize the RL reward over the entire sequence of intermediate diffusion steps. We further consider the discrete-time masked diffusion language model -- LLaDA, and find that the order to predict and unmask tokens plays an essential role to optimize its RL action resulting from the ranking-based Unmasking Policy Module (UPM) defined by the Plackett-Luce model. Experiments on both math and code generation tasks show that using only public data and 16 H800 GPUs, DCoLT-reinforced DLMs outperform other DLMs trained by SFT or RL or even both. Notably, DCoLT-reinforced LLaDA boosts its reasoning accuracy by +9.8%, +5.7%, +11.4%, +19.5% on GSM8K, MATH, MBPP, and HumanEval.


Variational Visual Question Answering for Uncertainty-Aware Selective Prediction

arXiv.org Artificial Intelligence

Despite remarkable progress in recent years, vision language models (VLMs) remain prone to overconfidence and hallucinations on tasks such as Visual Question Answering (VQA) and Visual Reasoning. Bayesian methods can potentially improve reliability by helping models selectively predict, that is, models respond only when they are sufficiently confident. Unfortunately, Bayesian methods are often assumed to be costly and ineffective for large models, and so far there exists little evidence to show otherwise, especially for multimodal applications. Here, we show the effectiveness and competitive edge of variational Bayes for selective prediction in VQA for the first time. We build on recent advances in variational methods for deep learning and propose an extension called "Variational VQA". This method improves calibration and yields significant gains for selective prediction on VQA and Visual Reasoning, particularly when the error tolerance is low ($\leq 1\%$). Often, just one posterior sample can yield more reliable answers than those obtained by models trained with AdamW. In addition, we propose a new risk-averse selector that outperforms standard sample averaging by considering the variance of predictions. Overall, we present compelling evidence that variational learning is a viable option to make large VLMs safer and more trustworthy.


A Transformer-based Neural Architecture Search Method

arXiv.org Artificial Intelligence

This paper presents a neural architecture search method based on Transformer architecture, searching cross multihead attention computation ways for different number of encoder and decoder combinations. In order to search for neural network structures with better translation results, we considered perplexity as an auxiliary evaluation metric for the algorithm in addition to BLEU scores and iteratively improved each individual neural network within the population by a multi-objective genetic algorithm. Experimental results show that the neural network structures searched by the algorithm outperform all the baseline models, and that the introduction of the auxiliary evaluation metric can find better models than considering only the BLEU score as an evaluation metric.