Singapore

Accurate exploration of protein conformational ensembles is essential for uncovering function but remains hard because molecular-dynamics (MD) simulations suffer from high computational costs and energy-barrier trapping.
This paper presents Energy Preference Optimization (EPO), an online refinement algorithm that turns a pretrained protein ensemble generator into an energy-aware sampler without extra MD trajectories.
Specifically, EPO leverages stochastic differential equation sampling to explore the conformational landscape and incorporates a novel energy-ranking mechanism based on list-wise preference optimization.
Crucially, EPO introduces a practical upper bound to efficiently approximate the intractable probability of long sampling trajectories in continuous-time generative models, making it easily adaptable to existing pretrained generators.
On Tetrapeptides, ATLAS, and Fast-Folding benchmarks, EPO successfully generates diverse and physically realistic ensembles, establishing a new state-of-the-art in nine evaluation metrics.
These results demonstrate that energy-only preference signals can efficiently steer generative models toward thermodynamically consistent conformational ensembles, providing an alternative to long MD simulations and widening the applicability of learned potentials in structural biology and drug discovery.

AAAI 2026

EPO: Diverse and Realistic Protein Ensemble Generation via Energy Preference Optimization

app: natural sciences ml: deep learning algorithms ml: deep generative models & autoencoders

## Welcome!
"I am excited to welcome you to this year’s edition of the Conference on Empirical Methods in Natural Language Processing! Importantly, it marks the 30th edition of EMNLP. With over 8,000 submissions, more than 3,000 accepted papers, and thousands of attendees, we have come a long way from that first
workshop, which had 14 accepted papers. As the field looks ahead, Suzhou is the fitting location for celebrating this milestone: rooted in a long literary tradition, yet modern and forward-looking, and home to a large share of the NLP community." 

*Message from the General Chair, Dirk Hovy*

EMNLP 2025

Celebrate 30 Years of EMNLP! 
EMNLP 2025 will be held in Suzhou, China from November 5th to November 9th, 2025.

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We are pleased to announce the Fortieth AAAI Conference on Artificial Intelligence (AAAI-26), which will be held in Singapore EXPO from January 20 to January 27, 2026.

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We are pleased to announce the Fortieth AAAI Conference on Artificial Intelligence (AAAI-26), which will be held in Singapore EXPO from January 20 to January 27, 2026.

Emotional Support Conversation (ESC) aims to alleviate individuals’ negative emotions through multi-turn dialogues, where effective strategy planning and response generation are essential. However, existing methods often suffer from limitations in both reasonable planning support strategies and effectively expressing them in responses. To address these challenges, we propose a novel LLM-based Emotional Support Conversation Agent (ESCA) with a plug-in strategy planner and a strategy-aligned prompt generator. The strategy planner cooperate with four aspects of the seeker’s state including emotion intensity, trust degree, dialogue behavior, and stage of change, to enhance the rationality and effectiveness of the strategy prediction. To ensure that predicted strategies are better conveyed, the prompt generator integrates strategy-aligned instructions, knowledge, and context to generate the soft prompt for guiding the LLM to generate supportive responses. In addition to supervised fine-tuning, the prompt generator is further optimized by the reinforcement learning. Experimental results demonstrate that ESCA significantly improves both response quality and the success rate of achieving the ESC task goals.

ESCA: An Emotional Support Conversation Agent for Enhancing Reasonable Strategy Planning and Effective Expression

The Diffusion Transformer plays a pivotal role in advancing text-to-image and text-to-video generation, owing primarily to its inherent scalability. However, existing controlled diffusion transformer methods incur significant parameter and computational overheads and suffer from inefficient resource allocation due to their failure to account for the varying relevance of control information across different transformer layers. To address this, we propose the Relevance-Guided Efficient Controllable Generation framework, RelaCtrl, enabling efficient and resource-optimized integration of control signals into the Diffusion Transformer. First, we evaluate the relevance of each layer in the Diffusion Transformer to the control information by assessing the "ControlNet Relevance Score"—i.e., the impact of skipping each control layer on both the quality of generation and the control effectiveness during inference. Based on the strength of the relevance, we then tailor the positioning, parameter scale, and modeling capacity of the control layers to reduce unnecessary parameters and redundant computations. Additionally, to further improve efficiency, we replace the self-attention and FFN in the commonly used copy block with the carefully designed Two-Dimensional Shuffle Mixer (TDSM), enabling efficient implementation of both the token and channel mixer. Qualitative and quantitative experimental results demonstrate that our approach achieves superior performance with only 15% of the parameters and computational complexity compared to PixArt-$\delta$.

RelaCtrl: Relevance-Guided Efficient Control for Diffusion Transformers

Retrieval-Augmented Generation (RAG) systems using Multimodal Large Language Models (MLLMs) show great promise for complex document understanding, yet their development is critically hampered by inadequate evaluation. Current benchmarks often focus on specific part of document RAG system and use synthetic data with incomplete ground truth and evidence labels, therefore failing to reflect real-world bottlenecks and challenges. To overcome these limitations, we introduce Double-Bench: a new large-scale, multilingual, and multimodal evaluation system that is able to produce fine-grained assessment to each component within document RAG systems. It comprises 3,276 documents (72,880 pages) and 5,168 single- and multi-hop queries across 6 languages and 4 document types with streamlined dynamic update support for potential data contamination issues. Queries are grounded in exhaustively scanned evidence pages and verified by human experts to ensure maximum quality and completeness. Our comprehensive experiments across 9 state-of-the-art embedding models, 4 MLLMs and 4 end-to-end document RAG frameworks demonstrate the gap between text and visual embedding models is narrowing, highlighting the need in building stronger document retrieval models. Our findings also reveal the over-confidence dilemma within current document RAG frameworks that tend to provide answer even without evidence support. We hope our fully open-source Double-Bench provide a rigorous foundation for future research in advanced document RAG systems. We plan to retrieve timely corpus and release new benchmarks on an annual basis.

Are We on the Right Way to Assess Document Retrieval-Augmented Generation?

Implicit neural representation (INR) models signals as continuous functions using neural networks, offering efficient and differentiable optimization for inverse problems across diverse disciplines. However, the representational capacity of INR—defined by the range of functions the neural network can characterize—is inherently limited by the low-dimensional feature space in conventional multilayer perceptron (MLP) architectures. While widening the MLP can linearly increase feature space dimensionality, it also leads to a quadratic growth in computational and memory costs. To address this limitation, we propose the split-layer, a novel reformulation of MLP construction. The split-layer divides each layer into multiple parallel branches and integrates their outputs via Hadamard product, effectively constructing a high-degree polynomial space. This approach significantly enhances INR’s representational capacity by expanding the feature space dimensionality without incurring prohibitive computational overhead. Extensive experiments demonstrate that the split-layer substantially improves INR performance, surpassing existing methods across multiple tasks, including 2D image fitting, 2D CT reconstruction, 3D shape representation, and 5D novel view synthesis.

Split-Layer: Enhancing Implicit Neural Representation by Maximizing the Dimensionality of Feature Space

Multimodal models integrating natural language and visual information have substantially improved emotion recognition performance. However, their effectiveness significantly declines in real-world situations where certain modalities are missing or unavailable. This degradation primarily stems from inconsistent representation learning between complete multimodal data and incomplete modality scenarios. Existing approaches typically address missing modalities through relatively simplistic generation methods, yet these approaches fail to adequately preserve cross-modal consistency, leading to suboptimal performance. To overcome this limitation, we propose a novel multimodal framework named PROMISE, a prompting-Attentive Hierarchical Contrastive Learning approach designed explicitly for robust cross-modal representation under conditions of missing modalities. Specifically, Promise innovatively incorporates multimodal prompt learning into a hierarchical contrastive learning framework, equipped with a specially designed prompting-attention mechanism. This mechanism dynamically generates robust and consistent representations for scenarios where particular modalities are absent, thereby effectively bridging the representational gap between complete and incomplete data. Extensive experiments conducted on benchmark datasets, along with comprehensive ablation studies, clearly demonstrate the superior performance of PROMISE compared to current state-of-the-art multimodal methods.

PROMISE: Prompt-Attentive Hierarchical Contrastive Learning for Robust Cross-Modal Representation with Missing Modalities

Global warming has intensified the frequency and severity of extreme weather events, which degrade CCTV signal and video quality while disrupting traffic flow, thereby increasing traffic accident rates. Existing datasets, often limited to light haze, rain, and snow, fail to capture extreme weather conditions. To address this gap, this study introduces the Traffic Surveillance Benchmark for Occluded Vehicles under Various Weather Conditions (TSBOW), a comprehensive dataset designed to enhance occluded vehicle detection across diverse annual weather scenarios. Comprising over 32 hours of real-world traffic data from densely populated urban areas, TSBOW includes more than 48,000 manually annotated bounding boxes and 3.2 million semi-labeled boxes, spanning eight traffic participant classes, ranging from large vehicles to micromobility devices and pedestrians. We establish an object detection benchmark for TSBOW, highlighting challenges posed by occlusions and adverse weather. With its varied road types, scales, and viewpoints, TSBOW serves as a critical resource for advancing Intelligent Transportation Systems. Our findings underscore the potential of CCTV-based traffic monitoring, paving the way for new research and applications. The TSBOW dataset will be publicly released upon publication of this paper.

TSBOW – Traffic Surveillance Benchmark for Occluded Vehicles Under Various Weather Conditions

Language model inversion (LMI), i.e., recovering hidden prompts from outputs, emerges as a concrete threat to user privacy and system security. We recast LMI as reusing the LLM's own latent space and propose the Invariant Latent Space Hypothesis (ILSH): (1) diverse outputs from the same source prompt should preserve consistent semantics (source invariance), and (2) input$\leftrightarrow$output cyclic mappings should be self-consistent within a shared latent space (cyclic invariance).
Accordingly, we present $\text{Inv}^2\text{A}$, which treats the LLM as an invariant decoder and learns only a lightweight inverse encoder that maps outputs to a denoised pseudo-representation. When multiple outputs are available, they are sparsely concatenated at the representation layer to increase information density. Training proceeds in two stages: contrastive alignment (source invariance) and supervised reinforcement (cyclic invariance). An optional training-free neighborhood search can refine local performance. Across 9 datasets covering user and system prompt scenarios, $\text{Inv}^2\text{A}$ outperforms baselines by an average of 4.77\% BLEU score while reducing dependence on large inverse corpora. Our analysis further shows that prevalent defenses provide limited protection, underscoring the need for stronger strategies.

An Invariant Latent Space Perspective on Language Model Inversion

Fine-tuning Large Language Models (LLMs) for specialized domains is constrained by a fundamental challenge: the need for diverse, cross-organizational data conflicts with the principles of data privacy and sovereignty. While Federated Learning (FL) provides a framework for collaboration without raw data exchange, its classic centralized form introduces a single point of failure and remains vulnerable to model inversion attacks. Decentralized FL (DFL) mitigates this risk by removing the central aggregator but typically relies on inefficient, random peer-to-peer (P2P) pairings, forming a collaboration graph that is blind to agent heterogeneity and risks negative transfer. This paper introduces KNEXA-FL, a novel framework for orchestrated decentralization that resolves this trade-off. KNEXA-FL employs a non-aggregating Central Profiler/Matchmaker (CPM) that formulates P2P collaboration as a contextual bandit problem, using a LinUCB algorithm on abstract agent profiles to learn an optimal matchmaking policy. It orchestrates direct knowledge exchange between heterogeneous, PEFT-based LLM agents via secure distillation, without ever accessing the models themselves. Our comprehensive experiments on a challenging code generation task show that KNEXA-FL yields substantial gains, improving Pass@1 by $\approx50\%$ relative to random P2P collaboration. Critically, our orchestrated approach demonstrates stable convergence, in stark contrast to a powerful centralized distillation baseline which suffers from catastrophic performance collapse. Our work establishes adaptive, learning-based orchestration as a foundational principle for building robust and effective decentralized AI ecosystems.

Learning to Collaborate: An Orchestrated-Decentralized Framework for Peer-to-Peer LLM Federation

Graph Contrastive Learning (GCL) has emerged as a powerful paradigm for training Graph Neural Networks (GNNs) in the absence of task-specific labels. However, its scalability on large-scale graphs is hindered by the intensive message passing mechanism of GNN and the quadratic computational complexity of contrastive loss over positive and negative node pairs. To address these issues, we propose an efficient GCL framework that transforms the input graph into a compact network of interconnected node sets while preserving structural information across communities. We firstly introduce a kernelized graph community contrastive loss with linear complexity, enabling effective information transfer among node sets to capture hierarchical structural information of the graph. We then incorporate a knowledge distillation technique into the decoupled GNN architecture to accelerate inference while maintaining strong generalization performance. Extensive experiments on sixteen real-world datasets of varying scales demonstrate that our method outperforms state-of-the-art GCL baselines in both effectiveness and scalability.

Dual-Kernel Graph Community Contrastive Learning

As online ecosystems grow increasingly complex, personalized recommendation systems must integrate user preferences across heterogeneous content sources and interaction scenarios. However, conventional methods typically model each source and scenario in isolation, hindering their ability to capture shared and complementary signals across contexts. In this work, we propose MM4Rec, a unified framework for multi-source and multi-scenario recommendation. MM4Rec introduces a Source-Aware Transformer Encoder to jointly model heterogeneous inputs, a Multi-Scenario Behavior Extraction Layer based on a multi-mixture-of-experts architecture to capture scenario-specific dynamics, and a Trend-Aware Learner to enhance temporal representation learning. Extensive experiments on three real-world datasets demonstrate that MM4Rec consistently outperforms strong baselines across standard recommendation metrics. To facilitate future research, we also release two large-scale datasets encompassing diverse sources and scenarios.

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