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Accelerating 3D Molecule Generative Models with Trajectory Diagnosis

Neural Information Processing Systems

Geometric molecule generative models have found expanding applications across various scientific domains, but their generation inefficiency has become a critical bottleneck. Through a systematic investigation of the generative trajectory, we discover a unique challenge for molecule geometric graph generation: generative models require determining the permutation order of atoms in the molecule before refining its atomic feature values. Based on this insight, we decompose the generation process into permutation phase and adjustment phase, and propose a geometric-informed prior and consistency parameter objective to accelerate each phase. Extensive experiments demonstrate that our approach achieves competitive performance with approximately 10 sampling steps, 7.5 faster than previous state-of-the-art models and approximately 100 faster than diffusion-based models, offering a significant step towards scalable molecular generation.


Correcting misinterpretations of additive models

Neural Information Processing Systems

Correct model interpretation in high-stakes settings is critical, yet both post-hoc feature attribution methods and so-called intrinsically interpretable models can systematically attribute false-positive importance to non-informative features such as suppressor variables. Specifically, both linear models and their powerful non-linear generalisation such as General Additive Models (GAMs) are susceptible to spurious attributions to suppressors. We present a principled generalisation of activation patterns - originally developed to make linear models interpretable - to additive models, correctly rejecting suppressor effects for non-linear features. This yields PatternGAM, an importance attribution method based on univariate generative surrogate models for the broad family of additive models, and PatternQLR for polynomial models. Empirical evaluations on the XAI-TRIS benchmark with a novel false-negative invariant formulation of the earth mover's distance accuracy metric demonstrates significant improvements over popular feature attribution methods and the traditional interpretation of additive models. Finally, real-world case studies on the COMPAS and MIMIC-IV datasets provide new insights into the role of specific features by disentangling genuine target-related information from suppression effects that would mislead conventional GAM interpretations.


DKDR: Dynamic Knowledge Distillation for Reliability in Federated Learning

Neural Information Processing Systems

Federated Learning (FL) has demonstrated a promising future in privacy-friendly collaboration but it faces the data heterogeneity problem. Knowledge Distillation (KD) can serve as an effective method to address this issue. However, challenges arise from the unreliability of existing distillation methods in multi-domain scenarios. Prevalent distillation solutions primarily aim to fit the distributions of the global model directly by minimizing forward Kullback-Leibler divergence (KLD). This results in significant bias when the outputs of the global model are multi-peaked, which indicates the unreliability of the distillation pathway. Meanwhile, cross-domain update conflicts can notably reduce the accuracy of the global model (teacher model) in certain domains, reflecting the unreliability of the teacher model in these domains.


RAT: Bridging RNN Efficiency and Attention Accuracy via Chunk-based Sequence Modeling

Neural Information Processing Systems

Transformers have become the cornerstone of modern large-scale language models, but their reliance on softmax attention poses a computational bottleneck at both training and inference. Recurrent models offer high efficiency, but compressing the full sequence into a fixed-size and holistic representation can suffer from memory degradation in long contexts and limit fine-grained retrieval. To address this, we propose RAT, an intermediate design that bridges the efficiency of RNNs and capacity of attention. RAT partitions the input into chunks, applies recurrence within each chunk for local dependencies, and softmax-based attention across chunks for long-range interactions. This design mitigates memory degradation and enables direct access to distant tokens, while retaining computational efficiency. Empirically, with a chunk size of 16, the RAT block achieves a $7\times$ improvement in training speed for 100K sequence length and $9\times$ in generation at the 4K position, while maintaining similar performance compared to standard attention. We demonstrate this by training 1.3B parameter models from scratch and performing large-scale evaluations, including short-and long-context benchmarks, as well as supervised fine-tuning (SFT). We further propose a hybrid architecture that interleaves RAT with local attention. By combining efficient long-range modeling with strong local interactions, this hybrid design not only improves inference speed and reduces cache memory usage, but also consistently enhances performance and shows the overall best results.


Best Smart Chess Boards (2026): Chessnut, Millennium

WIRED

I played the ultimate game of strategy on a variety of smart chess boards to find the best for online and in-person matches. Playing chess can be challenging, fun, and at times frustrating. Garry Kasparov called the game "mental torture." With virtually limitless possibilities, chess offers unparalleled depth, and you could easily fill a library with books on how to play it. The internet has opened up a wealth of potential competitors, and smart chess boards enable you to play anyone online or off, not to mention dabble in a variety of chess programs.


Signal Alums Reveal 'Encrypted Spaces,' a System for Making Private Collaboration Apps

WIRED

The new open-source project could serve as the basis for a future of apps with features as complex as Slack, Discord, or Google Docs--but with added protection against surveillance. End-to-end encryption, in which data is encoded so that only users on either "end" of a conversation can decrypt their communications--and not the server that relays that information or any other interloper--has become the standard for modern privacy on the internet. But its very name suggests a kind of simple pipe with two openings. The metaphor, and often the encryption technology that has enabled that model, doesn't fit neatly onto the world of Slack, Discord, Google Docs, and the other multiuser, complex, collaborative software where people now live and work. So one group of cryptographers has built what they describe as the foundation for a new generation of end-to-end encrypted apps, with a new metaphor: Instead of a mere pipe, they want to create "spaces" where users can hold group conversations, host information on a server, collectively make changes to it, invite in new collaborators or kick them out, all while maintaining the same strong encryption protections that prevent the server or network eavesdroppers from accessing their data.


Stitch and Tell: A Structured Data Augmentation Method for Spatial Understanding

Neural Information Processing Systems

Existing vision-language models often suffer from spatial hallucinations, i.e., generating incorrect descriptions about the relative positions of objects in an image. We argue that this problem mainly stems from the asymmetric properties between images and text. To enrich the spatial understanding ability of vision-language models, we propose a simple, annotation-free, plug-and-play method named Stitch and Tell (abbreviated as SiTe), which injects structured spatial supervision into multimodal data. It constructs stitched image-text pairs by stitching images along a spatial axis and generating spatially-aware captions or question answer pairs based on the layout of stitched image, without relying on costly advanced models or human involvement. We evaluate SiTe across three architectures including LLaVA-v1.5-7B,


CodeGEMM: A Codebook-Centric Approach to Efficient GEMM in Quantized LLMs

Neural Information Processing Systems

Weight-only quantization is widely used to mitigate the memory-bound nature of LLM inference. Codebook-based methods extend this trend by achieving strong accuracy in the extremely low-bit regime (e.g., 2-bit). However, current kernels rely on dequantization, which repeatedly fetches centroids and reconstructs weights, incurring substantial latency and cache pressure. We present CodeGEMM, a codebook-centric GEMM kernel that replaces dequantization with precomputed inner products between centroids and activations stored in a lightweight Psumbook. At inference, code indices directly gather these partial sums, eliminating per-element lookups and reducing the on-chip footprint. The kernel supports the systematic exploration of latency-memory-accuracy trade-offs under a unified implementation. On Llama-3 models, CodeGEMM delivers 1.83x (8B) and 8.93x (70B) speedups in the 2-bit configuration compared to state-of-the-art codebook-based quantization at comparable accuracy and further improves computing efficiency and memory subsystem utilization.


Personalized Visual Content Generation in Conversational Systems

Neural Information Processing Systems

With the rapid progress of large language models (LLMs) and diffusion models, there has been growing interest in personalized content generation. However, current conversational systems often present the same recommended content to all users, falling into the dilemma of one-size-fits-all.


Talk2Event: Grounded Understanding of Dynamic Scenes from Event Cameras

Neural Information Processing Systems

Event cameras offer microsecond-level latency and robustness to motion blur, making them ideal for understanding dynamic environments. Yet, connecting these asynchronous streams to human language remains an open challenge. We introduce Talk2Event, the first large-scale benchmark for language-driven object grounding in event-based perception. Built from real-world driving data, Talk2Event provides over 30,000 validated referring expressions, each enriched with four grounding attributes -- appearance, status, relation to viewer, and relation to other objects -- bridging spatial, temporal, and relational reasoning. To fully exploit these cues, we propose EventRefer, an attribute-aware grounding framework that dynamically fuses multi-attribute representations through a Mixture of Event-Attribute Experts (MoEE).