However, they depend on scarce experimental data or time-consuming docking simulation, leading to overfitting issues with limited training data and slow generation speed.

Simultaneous sequence generation is a pivotal task for real-time scenarios, such as streaming speech recognition, simultaneous machine translation and simultaneous speech translation, where the target sequence is generated while receiving the source sequence. The crux of achieving high-quality generation with low latency lies in identifying the optimal moments for generating, accomplished by learning a mapping between the source and target sequences. However, existing methods often rely on task-specific heuristics for different sequence types, limiting the model's capacity to adaptively learn the source-target mapping and hindering the exploration of multi-task learning for various simultaneous tasks. In this paper, we propose a unified segment-to-segment framework (Seg2Seg) for simultaneous sequence generation, which learns the mapping in an adaptive and unified manner. During the process of simultaneous generation, the model alternates between waiting for a source segment and generating a target segment, making the segment serve as the natural bridge between the source and target. To accomplish this, Seg2Seg introduces a latent segment as the pivot between source to target and explores all potential source-target mappings via the proposed expectation training, thereby learning the optimal moments for generating. Experiments on multiple simultaneous generation tasks demonstrate that Seg2Seg achieves state-of-the-art performance and exhibits better generality across various tasks.

In this paper we study the potential of using reinforcement learning (RL) in order to synthesize quantum circuits, while optimizing the T-count and CS-count, of unitaries that are exactly implementable by the Clifford+T and Clifford+CS gate sets, respectively. We have designed our RL framework to work with channel representation of unitaries, that enables us to perform matrix operations efficiently, using integers only. We have also incorporated pruning heuristics and a canonicalization of operators, in order to reduce the search complexity. As a result, compared to previous works, we are able to implement significantly larger unitaries, in less time, with much better success rate and improvement factor. Our results for Clifford+T synthesis on two qubit unitaries achieve close-to-optimal decompositions for up to 100 T gates, 5 times more than previous RL algorithms and to the best of our knowledge, the largest instances achieved with any method to date. Our RL algorithm is able to recover previously-known optimal linear complexity algorithm for T-count-optimal decomposition of 1 qubit unitaries. We illustrate significant reduction in the asymptotic T-count estimate of important primitives like controlled cyclic shift (43%), controlled adder (14.3%) and multiplier (14%), without adding any extra ancilla. For 2-qubit Clifford+CS unitaries, our algorithm achieves a linear complexity, something that could only be accomplished by a previous algorithm using SO(6) representation.

With the rapid development of large language models (LLMs), the applications of LLMs have grown substantially. In the education domain, LLMs demonstrate significant potential, particularly in automatic text generation, which enables the creation of intelligent and adaptive learning content. This paper proposes a new LLMs framework, which is named as Reading Comprehension Exercise Generation (RCEG). It can generate high-quality and personalized English reading comprehension exercises automatically. Firstly, RCEG uses fine-tuned LLMs to generate content candidates. Then, it uses a discriminator to select the best candidate. Finally, the quality of the generated content has been improved greatly. To evaluate the performance of RCEG, a dedicated dataset for English reading comprehension is constructed to perform the experiments, and comprehensive evaluation metrics are used to analyze the experimental results. These metrics include content diversity, factual accuracy, linguistic toxicity, and pedagogical alignment. Experimental results show that RCEG significantly improves the relevance and cognitive appropriateness of the generated exercises.

Algorithm 6 Generating the (non-differentiable) Hamiltonian AIS variational bound.Sample z It can be observed that tuning β and q (z) lead to the largest gains in performance. T uning more parameters leads to significantly better results. Table 4: ELBO on the test set (higher is better). For K = 1 both methods reduce to plain VI. For HMC, we use half of the budget for the warm-up phase and half to draw samples.

Some traits making a "good" AI model are hard to describe upfront. For example, should responses be more polite or more casual? Such traits are sometimes summarized as model character or personality. Without a clear objective, conventional benchmarks based on automatic validation struggle to measure such traits. Evaluation methods using human feedback such as Chatbot Arena have emerged as a popular alternative. These methods infer "better" personality and other desirable traits implicitly by ranking multiple model responses relative to each other. Recent issues with model releases highlight limitations of these existing opaque evaluation approaches: a major model was rolled back over sycophantic personality issues, models were observed overfitting to such feedback-based leaderboards. Despite these known issues, limited public tooling exists to explicitly evaluate model personality. We introduce Feedback Forensics: an open-source toolkit to track AI personality changes, both those encouraged by human (or AI) feedback, and those exhibited across AI models trained and evaluated on such feedback. Leveraging AI annotators, our toolkit enables investigating personality via Python API and browser app. We demonstrate the toolkit's usefulness in two steps: (A) first we analyse the personality traits encouraged in popular human feedback datasets including Chatbot Arena, MultiPref and PRISM; and (B) then use our toolkit to analyse how much popular models exhibit such traits. We release (1) our Feedback Forensics toolkit alongside (2) a web app tracking AI personality in popular models and feedback datasets as well as (3) the underlying annotation data at https://github.com/rdnfn/feedback-forensics.

Drug design is a crucial step in the drug discovery cycle.

Recent developments of vision large language models (LLMs) have seen remarkable progress, yet still encounter challenges towards multimodal generalists, such as coarse-grained instance-level understanding, lack of unified support for both images and videos, and insufficient coverage across various vision tasks. In this paper we present Vitron, a universal pixel-level vision LLM designed for comprehensive understanding, generating, segmenting, and editing of both static images and dynamic videos. Building on top of an LLM backbone, Vitron incorporates encoders for images, videos, and pixel-level regional visuals within its frontend modules, while employing state-of-the-art visual specialists as its backend, via which Vitron supports a spectrum of vision end tasks, spanning visual comprehension to visual generation, from low level to high level. To ensure an effective and precise message passing from LLM to backend modules for function invocation, we propose a novel hybrid method by simultaneously integrating discrete textual instructions and continuous signal embeddings. Further, we design various pixel-level spatiotemporal vision-language alignment learning for Vitron to reach the best fine-grained visual capability.

The ability to invent novel and interesting problems is a remarkable feature of human intelligence that drives innovation, art, and science. We propose a method that aims to automate this process by harnessing the power of state-of-the-art generative models to produce a diversity of challenging yet solvable problems, here in the context of Python programming puzzles. Inspired by the intrinsically motivated literature, Autotelic CodE Search (ACES) jointly optimizes for the diversity and difficulty of generated problems. We represent problems in a space of LLM-generated semantic descriptors describing the programming skills required to solve them (e.g. ACES iteratively prompts a large language model to generate difficult problems achieving a diversity of target semantic descriptors (goal-directed exploration) using previously generated problems as in-context examples.

The advent of generative AI exemplified by large language models (LLMs) opens new ways to represent and compute geographic information and transcends the process of geographic knowledge production, driving geographic information systems (GIS) towards autonomous GIS. Leveraging LLMs as the decision core, autonomous GIS can independently generate and execute geoprocessing workflows to perform spatial analysis. In this vision paper, we further elaborate on the concept of autonomous GIS and present a conceptual framework that defines its five autonomous goals, five autonomous levels, five core functions, and three operational scales. We demonstrate how autonomous GIS could perform geospatial data retrieval, spatial analysis, and map making with four proof-of-concept GIS agents. We conclude by identifying critical challenges and future research directions, including fine-tuning and self-growing decision-cores, autonomous modeling, and examining the societal and practical implications of autonomous GIS. By establishing the groundwork for a paradigm shift in GIScience, this paper envisions a future where GIS moves beyond traditional workflows to autonomously reason, derive, innovate, and advance geospatial solutions to pressing global challenges. Meanwhile, as we design and deploy increasingly intelligent geospatial systems, we carry a responsibility to ensure they are developed in socially responsible ways, serve the public good, and support the continued value of human geographic insight in an AI-augmented future.