Molecular representation learning has emerged as a promising approach for modeling molecules with deep learning in chemistry and beyond. While 3D geometric models effectively capture molecular structure, they typically process single static conformers, overlooking the inherent flexibility and dynamics of molecules. In reality, many molecular properties depend on distributions of thermodynamically accessible conformations rather than single structures. Recent works show that learning from conformer ensembles can improve molecular representations, but existing approaches either produce unphysical structures through averaging or require restrictive molecular alignment. In this paper, we propose SymmetryPreserving Conformer Ensemble networks (SPiCE), which introduces two key innovations: (1) geometric mixture-of-experts for selective processing of scalar and vector features, and (2) hierarchical ensemble encoding that combines ensemblelevel representation with cross-conformer integration. Crucially, SPiCE ensures physically meaningful representations by maintaining joint equivariance to geometric transformations of individual conformers and conformer permutations. Extensive experiments demonstrate that SPiCE consistently outperforms existing conformer ensemble methods and state-of-the-art structural aggregation models across quantum mechanical and biological property prediction tasks.

Remote sensing is critical for disaster monitoring, yet existing datasets lack temporal image pairs and detailed textual annotations. While single-snapshot imagery dominates current resources, it fails to capture dynamic disaster impacts over time. To address this gap, we introduce the Remote Sensing Change Caption (RSCC) dataset, a large-scale benchmark comprising 62,351 pre-/post-disaster image pairs (spanning earthquakes, floods, wildfires, and more) paired with rich, human-like change captions. By bridging the temporal and semantic divide in remote sensing data, RSCC enables robust training and evaluation of vision-language models for disaster-aware bi-temporal understanding. Our results highlight RSCC's ability to facilitate detailed disaster-related analysis, paving the way for more accurate, interpretable, and scalable vision-language applications in remote sensing.

We propose a new algorithm for fine-tuning large language models using reinforcement learning. Tapered Off-Policy REINFORCE (TOPR) uses an asymmetric, tapered variant of importance sampling to speed up learning while maintaining stable learning dynamics, even without the use of KL regularization. TOPR can be applied in a fully offline fashion, allows the handling of positive and negative examples in a unified framework, and benefits from the implementational simplicity that is typical of Monte Carlo algorithms. We demonstrate the effectiveness of our approach with a series of experiments on the GSM8K and MATH reasoning benchmarks, finding performance gains for training both a model for solution generation as a generative verifier, and on a learning to search task, using the model as a query expander. We show that properly leveraging positive and negative examples alike in the off-policy regime simultaneously increases test-time accuracy and training data efficiency, all the while avoiding the "wasted inference" that comes with discarding negative examples. We find that this advantage persists over multiple iterations of training and can be amplified by dataset curation techniques, enabling us to match 70B-parameter model performance with 8B language models. As a corollary to this work, we find that REINFORCE's baseline parameter plays an important and unexpected role in defining dataset composition in the presence of negative examples, and is consequently critical in driving off-policy performance.

Current AI advances largely rely on scaling neural models and expanding training datasets to achieve generalization and robustness.

The recent success of generative AI highlights the crucial role of high-quality human feedback in building trustworthy AI systems. However, the increasing use of large language models (LLMs) by crowdsourcing workers poses a significant challenge: datasets intended to reflect human input may be compromised by LLM-generated responses. Existing LLM detection approaches often rely on high-dimensional training data such as text, making them unsuitable for structured annotation tasks like multiple-choice labeling. In this work, we investigate the potential of peer prediction--a mechanism that evaluates the information within workers' responses--to mitigate LLM-assisted cheating in crowdsourcing with a focus on annotation tasks.

Sharpness-aware minimization (SAM) has emerged as a highly effective technique to improve model generalization, but its underlying principles are not fully understood. We investigate m-sharpness, where SAM performance improves monotonically as the micro-batch size for computing perturbations decreases, a phenomenon critical for distributed training yet lacking rigorous explanation. We leverage an extended Stochastic Differential Equation (SDE) framework and analyze stochastic gradient noise (SGN) to characterize the dynamics of SAM variants, including n-SAM and m-SAM. Our analysis reveals that stochastic perturbations induce an implicit variance-based sharpness regularization whose strength increases as m decreases. Motivated by this insight, we propose Reweighted SAM (RW-SAM), which employs sharpness-weighted sampling to mimic the generalization benefits of m-SAM while remaining parallelizable.

Initialization plays a critical role in Deep Neural Network training, directly influencing convergence, stability, and generalization. Common approaches such as Glorot and He initializations rely on randomness, which can produce uneven weight distributions across layer connections. In this paper, we introduce the Sinusoidal initialization, a novel deterministic method that employs sinusoidal functions to construct structured weight matrices expressly to improve the spread and balance of weights throughout the network while simultaneously fostering a more uniform, well-conditioned distribution of neuron activation states from the very first forward pass. Because Sinusoidal initialization begins with weights and activations that are already evenly and efficiently utilized, it delivers consistently faster convergence, greater training stability, and higher final accuracy across a wide range of models, including convolutional neural networks, vision transformers, and large language models. On average, our experiments show an increase of 4.9% in final validation accuracy and 20.9% in convergence speed. By replacing randomness with structure, this initialization provides a stronger and more reliable foundation for Deep Learning systems.

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Recent advances in scene understanding have leveraged multimodal large language models (MLLMs) for 3D reasoning by capitalizing on their strong 2D pretraining.

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