Deep learning's rise since the early 2010s has transformed fields like computer vision and natural language processing and strongly influenced biomedical research. For drug discovery specifically, a key inflection - akin to vision's "ImageNet moment" - arrived in 2015, when deep neural networks surpassed traditional approaches on the Tox21 Data Challenge. This milestone accelerated the adoption of deep learning across the pharmaceutical industry, and today most major companies have integrated these methods into their research pipelines. After the Tox21 Challenge concluded, its dataset was included in several established benchmarks, such as MoleculeNet and the Open Graph Benchmark. However, during these integrations, the dataset was altered and labels were imputed or manufactured, resulting in a loss of comparability across studies. Consequently, the extent to which bioactivity and toxicity prediction methods have improved over the past decade remains unclear. To this end, we introduce a reproducible leaderboard, hosted on Hugging Face with the original Tox21 Challenge dataset, together with a set of baseline and representative methods. The current version of the leaderboard indicates that the original Tox21 winner - the ensemble-based DeepTox method - and the descriptor-based self-normalizing neural networks introduced in 2017, continue to perform competitively and rank among the top methods for toxicity prediction, leaving it unclear whether substantial progress in toxicity prediction has been achieved over the past decade. As part of this work, we make all baselines and evaluated models publicly accessible for inference via standardized API calls to Hugging Face Spaces.

Online ratings influence customer decision-making, yet standard aggregation methods, such as the sample mean, fail to adapt to quality changes over time and ignore review heterogeneity (e.g., review sentiment, a review's helpfulness). To address these challenges, we demonstrate the value of using the Gaussian process (GP) framework for rating aggregation. Specifically, we present a tailored GP model that captures the dynamics of ratings over time while additionally accounting for review heterogeneity. Based on 121,123 ratings from Yelp, we compare the predictive power of different rating aggregation methods in predicting future ratings, thereby finding that the GP model is considerably more accurate and reduces the mean absolute error by 10.2% compared to the sample mean. Our findings have important implications for marketing practitioners and customers. By moving beyond means, designers of online reputation systems can display more informative and adaptive aggregated rating scores that are accurate signals of expected customer satisfaction.

Adaptive optimizers with decoupled weight decay, such as AdamW, are the de facto standard for pre-training large transformer-based generative models. Yet the quadratic nature of the $\ell_2$ penalty embedded in weight decay drives all parameters toward the origin at the same rate, making the update vulnerable to rare but extreme gradient directions and often over-penalizing well-conditioned coordinates. We propose AdamHuberDecay, a drop-in replacement for AdamW that substitutes the $\ell_2$ penalty with a decoupled smooth Huber regularizer. The resulting update decays parameters quadratically while their magnitude remains below a threshold $δ$, and linearly ($\ell_1$-like) once they exceed $δ$, yielding (i) bounded regularization gradients, (ii) invariance to per-coordinate second-moment rescaling, and (iii) stronger sparsity pressure on overgrown weights. We derive the closed-form decoupled Huber decay step and show how to integrate it with any Adam-family optimizer at $O(1)$ extra cost. Extensive experiments on GPT-2 and GPT-3 pre-training demonstrate that AdamHuberDecay (a) converges 10-15% faster in wall-clock time, (b) reduces validation perplexity by up to 4 points, (c) delivers performance improvements of 2.5-4.7% across downstream tasks, and (d) yields visibly sparser weight histograms that translate into 20-30% memory savings after magnitude pruning, without tuning the decay coefficient beyond the default grid used for AdamW. Ablations confirm robustness to outlier gradients and large-batch regimes, together with theoretical analyses that bound the expected parameter norm under noisy updates. AdamHuberDecay therefore provides a simple, principled path toward more efficient and resilient training of next-generation foundational generative transformers.

We propose an approach to enhancing synthetic video realism, which can re-render synthetic videos from a simulator in photorealistic fashion. Our realism enhancement approach is a zero-shot framework that focuses on preserving the multi-level structures from synthetic videos into the enhanced one in both spatial and temporal domains, built upon a diffusion video foundational model without further fine-tuning. Specifically, we incorporate an effective modification to have the generation/denoising process conditioned on estimated structure-aware information from the synthetic video, such as depth maps, semantic maps, and edge maps, by an auxiliary model, rather than extracting the information from a simulator. This guidance ensures that the enhanced videos are consistent with the original synthetic video at both the structural and semantic levels. Our approach is a simple yet general and powerful approach to enhancing synthetic video realism: we show that our approach outperforms existing baselines in structural consistency with the original video while maintaining state-of-the-art photorealism quality in our experiments.

Trained on massive cross-species DNA corpora, DNA large language models (LLMs) learn the fundamental "grammar" and evolutionary patterns of genomic sequences. This makes them powerful priors for DNA sequence modeling, particularly over long ranges. However, two major constraints hinder their use in practice: the quadratic computational cost of self-attention and the growing memory required for key-value (KV) caches during autoregressive decoding. These constraints force the use of heuristics such as fixed-window truncation or sliding windows, which compromise fidelity on ultra-long sequences by discarding distant information. We introduce FOCUS (Feature-Oriented Compression for Ultra-long Self-attention), a progressive context-compression module that can be plugged into pretrained DNA LLMs. FOCUS combines the established k-mer representation in genomics with learnable hierarchical compression: it inserts summary tokens at k-mer granularity and progressively compresses attention key and value activations across multiple Transformer layers, retaining only the summary KV states across windows while discarding ordinary-token KV. A shared-boundary windowing scheme yields a stationary cross-window interface that propagates long-range information with minimal loss. We validate FOCUS on an Evo-2-based DNA LLM fine-tuned on GRCh38 chromosome 1 with self-supervised training and randomized compression schedules to promote robustness across compression ratios. On held-out human chromosomes, FOCUS achieves near-lossless fidelity: compressing a 1 kb context into only 10 summary tokens (about 100x) shifts the average per-nucleotide probability by only about 0.0004. Compared to a baseline without compression, FOCUS reduces KV-cache memory and converts effective inference scaling from O(N^2) to near-linear O(N), enabling about 100x longer inference windows on commodity GPUs with near-lossless fidelity.

Existing approaches to complaint analysis largely rely on unimodal, short-form content such as tweets or product reviews. This work advances the field by leveraging multimodal, multi-turn customer support dialogues, where users often share both textual complaints and visual evidence (e.g., screenshots, product photos) to enable fine-grained classification of complaint aspects and severity. We introduce VALOR, a Validation-Aware Learner with Expert Routing, tailored for this multimodal setting. It employs a multi-expert reasoning setup using large-scale generative models with Chain-of-Thought (CoT) prompting for nuanced decision-making. To ensure coherence between modalities, a semantic alignment score is computed and integrated into the final classification through a meta-fusion strategy. In alignment with the United Nations Sustainable Development Goals (UN SDGs), the proposed framework supports SDG 9 (Industry, Innovation and Infrastructure) by advancing AI-driven tools for robust, scalable, and context-aware service infrastructure. Further, by enabling structured analysis of complaint narratives and visual context, it contributes to SDG 12 (Responsible Consumption and Production) by promoting more responsive product design and improved accountability in consumer services. We evaluate VALOR on a curated multimodal complaint dataset annotated with fine-grained aspect and severity labels, showing that it consistently outperforms baseline models, especially in complex complaint scenarios where information is distributed across text and images. This study underscores the value of multimodal interaction and expert validation in practical complaint understanding systems. Resources related to data and codes are available here: https://github.com/sarmistha-D/VALOR

Large language models (LLMs) often make reasoning errors when solving mathematical problems, and how to automatically detect and correct these errors has become an important research direction. However, existing approaches \textit{mainly focus on self-correction within the model}, which falls short of the ``teacher-style`` correction required in educational settings, \textit{i.e.}, systematically guiding and revising a student's problem-solving process. To address this gap, we propose \texttt{SMRC} (\textit{\underline{S}tudent \underline{M}athematical \underline{R}easoning \underline{C}orrection}), a novel method that aligns LLMs with student reasoning. Specifically, \texttt{SMRC} formulates student reasoning as a multi-step sequential decision problem and introduces Monte Carlo Tree Search (MCTS) to explore optimal correction paths. To reduce the cost of the annotating process-level rewards, we leverage breadth-first search (BFS) guided by LLMs and final-answer evaluation to generate reward signals, which are then distributed across intermediate reasoning steps via a back-propagation mechanism, enabling fine-grained process supervision. Additionally, we construct a benchmark for high school mathematics, MSEB (Multi-Solution Error Benchmark), consisting of 158 instances that include problem statements, student solutions, and correct reasoning steps. We further propose a dual evaluation protocol centered on \textbf{solution accuracy} and \textbf{correct-step retention}, offering a comprehensive measure of educational applicability. Experiments demonstrate that \texttt{SMRC} significantly outperforms existing methods on two public datasets (ProcessBench and MR-GSM8K) and our MSEB in terms of effectiveness and overall performance. The code and data are available at https://github.com/Mind-Lab-ECNU/SMRC.

Heaps' or Herdan's law characterizes the word-type vs. word-token relation by a power-law function, which is concave in linear-linear scale but a straight line in log-log scale. However, it has been observed that even in log-log scale, the type-token curve is still slightly concave, invalidating the power-law relation. At the next-order approximation, we have shown, by twenty English novels or writings (some are translated from another language to English), that quadratic functions in log-log scale fit the type-token data perfectly. Regression analyses of log(type)-log(token) data with both a linear and quadratic term consistently lead to a linear coefficient of slightly larger than 1, and a quadratic coefficient around -0.02. Using the ``random drawing colored ball from the bag with replacement" model, we have shown that the curvature of the log-log scale is identical to a ``pseudo-variance" which is negative. Although a pseudo-variance calculation may encounter numeric instability when the number of tokens is large, due to the large values of pseudo-weights, this formalism provides a rough estimation of the curvature when the number of tokens is small.

Contract management involves reviewing and negotiating provisions, individual clauses that define rights, obligations, and terms of agreement. During this process, revisions to provisions are proposed and iteratively refined, some of which may be problematic or unacceptable. Automating this workflow is challenging due to the scarcity of labeled data and the abundance of unstructured legacy contracts. In this paper, we present a modular framework designed to streamline contract management through a retrieval-augmented generation (RAG) pipeline. Our system integrates synthetic data generation, semantic clause retrieval, acceptability classification, and reward-based alignment to flag problematic revisions and generate improved alternatives. Developed and evaluated in collaboration with an industry partner, our system achieves over 80% accuracy in both identifying and optimizing problematic revisions, demonstrating strong performance under real-world, low-resource conditions and offering a practical means of accelerating contract revision workflows.

Large language models (LLMs) are increasingly applied to sequential decision-making through in-context learning (ICL), yet their effectiveness is highly sensitive to prompt quality. Effective prompts should meet three principles: focus on decision-critical information, provide step-level granularity, and minimize reliance on expert annotations through label efficiency. However, existing ICL methods often fail to satisfy all three criteria simultaneously. Motivated by these challenges, we introduce SkillGen, a skill-based ICL framework for structured sequential reasoning. It constructs an action-centric, domain-level graph from sampled trajectories, identifies high-utility actions via temporal-difference credit assignment, and retrieves step-wise skills to generate fine-grained, context-aware prompts. We further present a theoretical analysis showing that focusing on high-utility segments supports task identifiability and informs more effective ICL prompt design. Experiments on ALFWorld, BabyAI, and ScienceWorld, using both open-source and proprietary LLMs, show that SkillGen achieves consistent gains, improving progress rate by 5.9%-16.5% on average across models.